Ligand source activities (1 row/activity)
| Ligands (move mouse cursor over ligand name to see structure) | Receptor | Assay information | Chemical information | ||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sel. page | Common name |
GPCRdb ID |
#Vendors |
Reference ligand |
Fold selectivity |
# Tested GPCRs |
Species |
p-value (-log) |
Activity Type |
Activity Relation |
Activity Value |
AssayType |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
| 2583 | 470697 | 25 | None | 6 | 4 | Human | 9.0 | pAC50 | = | 9 | Functional | ChEMBL | 292 | 5 | 3 | 4 | 1.7 | CC(C)(C)NCC(O)COc1cccc2c1CCC(=O)N2 | 10.1038/s41467-023-40064-9 | ||
| 520 | 470697 | 25 | None | 6 | 4 | Human | 9.0 | pAC50 | = | 9 | Functional | ChEMBL | 292 | 5 | 3 | 4 | 1.7 | CC(C)(C)NCC(O)COc1cccc2c1CCC(=O)N2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL839 | 470697 | 25 | None | 6 | 4 | Human | 9.0 | pAC50 | = | 9 | Functional | ChEMBL | 292 | 5 | 3 | 4 | 1.7 | CC(C)(C)NCC(O)COc1cccc2c1CCC(=O)N2 | 10.1038/s41467-023-40064-9 | ||
| DB00521 | 470697 | 25 | None | 6 | 4 | Human | 9.0 | pAC50 | = | 9 | Functional | ChEMBL | 292 | 5 | 3 | 4 | 1.7 | CC(C)(C)NCC(O)COc1cccc2c1CCC(=O)N2 | 10.1038/s41467-023-40064-9 | ||
| 1978 | 515 | 40 | None | 24 | 2 | Human | 6.0 | pAC50 | = | 6 | Functional | ChEMBL | 336 | 10 | 3 | 5 | 3.0 | CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O | 10.1038/s41467-023-40064-9 | ||
| 40 | 515 | 40 | None | 24 | 2 | Human | 6.0 | pAC50 | = | 6 | Functional | ChEMBL | 336 | 10 | 3 | 5 | 3.0 | CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O | 10.1038/s41467-023-40064-9 | ||
| 7107 | 515 | 40 | None | 24 | 2 | Human | 6.0 | pAC50 | = | 6 | Functional | ChEMBL | 336 | 10 | 3 | 5 | 3.0 | CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL642 | 515 | 40 | None | 24 | 2 | Human | 6.0 | pAC50 | = | 6 | Functional | ChEMBL | 336 | 10 | 3 | 5 | 3.0 | CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O | 10.1038/s41467-023-40064-9 | ||
| DB01193 | 515 | 40 | None | 24 | 2 | Human | 6.0 | pAC50 | = | 6 | Functional | ChEMBL | 336 | 10 | 3 | 5 | 3.0 | CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O | 10.1038/s41467-023-40064-9 | ||
| 10184665 | 8655 | 40 | None | -1737 | 9 | Human | 5.0 | pAC50 | = | 5 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1038/s41467-023-40064-9 | ||
| 4799 | 8655 | 40 | None | -1737 | 9 | Human | 5.0 | pAC50 | = | 5 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1038/s41467-023-40064-9 | ||
| 7353 | 8655 | 40 | None | -1737 | 9 | Human | 5.0 | pAC50 | = | 5 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1198857 | 8655 | 40 | None | -1737 | 9 | Human | 5.0 | pAC50 | = | 5 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1038/s41467-023-40064-9 | ||
| DB09082 | 8655 | 40 | None | -1737 | 9 | Human | 5.0 | pAC50 | = | 5 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1038/s41467-023-40064-9 | ||
| 216416 | 221077 | 40 | None | -117 | 23 | Human | 5.0 | pAC50 | = | 5 | Functional | ChEMBL | 413 | 6 | 1 | 3 | 5.7 | Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL328190 | 221077 | 40 | None | -117 | 23 | Human | 5.0 | pAC50 | = | 5 | Functional | ChEMBL | 413 | 6 | 1 | 3 | 5.7 | Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1 | 10.1038/s41467-023-40064-9 | ||
| DB06202 | 221077 | 40 | None | -117 | 23 | Human | 5.0 | pAC50 | = | 5 | Functional | ChEMBL | 413 | 6 | 1 | 3 | 5.7 | Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 1865 | 384925 | 34 | None | -5 | 3 | Human | 7.0 | pAC50 | = | 7.0 | Functional | ChEMBL | 309 | 5 | 4 | 5 | 0.6 | CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2 | 10.1038/s41467-023-40064-9 | ||
| 4411 | 384925 | 34 | None | -5 | 3 | Human | 7.0 | pAC50 | = | 7.0 | Functional | ChEMBL | 309 | 5 | 4 | 5 | 0.6 | CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL521606 | 384925 | 34 | None | -5 | 3 | Human | 7.0 | pAC50 | = | 7.0 | Functional | ChEMBL | 309 | 5 | 4 | 5 | 0.6 | CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2 | 10.1038/s41467-023-40064-9 | ||
| DB01203 | 384925 | 34 | None | -5 | 3 | Human | 7.0 | pAC50 | = | 7.0 | Functional | ChEMBL | 309 | 5 | 4 | 5 | 0.6 | CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2 | 10.1038/s41467-023-40064-9 | ||
| 72093 | 78550 | 5 | None | -10 | 28 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 483 | 16 | 1 | 4 | 6.3 | CCCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)OCC[N+](C)(CC)CC)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1433361 | 78550 | 5 | None | -10 | 28 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 483 | 16 | 1 | 4 | 6.3 | CCCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)OCC[N+](C)(CC)CC)cc1 | 10.1038/s41467-023-40064-9 | ||
| DB13500 | 78550 | 5 | None | -10 | 28 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 483 | 16 | 1 | 4 | 6.3 | CCCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)OCC[N+](C)(CC)CC)cc1 | 10.1038/s41467-023-40064-9 | ||
| 1873 | 77714 | 61 | None | -10 | 16 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1038/s41467-023-40064-9 | ||
| 4418 | 77714 | 61 | None | -10 | 16 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL142635 | 77714 | 61 | None | -10 | 16 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1038/s41467-023-40064-9 | ||
| DB12092 | 77714 | 61 | None | -10 | 16 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1038/s41467-023-40064-9 | ||
| 12582 | 1957 | 29 | None | -3 | 5 | Human | 7.0 | pAC50 | = | 7.0 | Functional | ChEMBL | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 10.1038/s41467-023-40064-9 | ||
| 2783 | 1957 | 29 | None | -3 | 5 | Human | 7.0 | pAC50 | = | 7.0 | Functional | ChEMBL | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 10.1038/s41467-023-40064-9 | ||
| 673 | 1957 | 29 | None | -3 | 5 | Human | 7.0 | pAC50 | = | 7.0 | Functional | ChEMBL | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL49080 | 1957 | 29 | None | -3 | 5 | Human | 7.0 | pAC50 | = | 7.0 | Functional | ChEMBL | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 10.1038/s41467-023-40064-9 | ||
| DB01407 | 1957 | 29 | None | -3 | 5 | Human | 7.0 | pAC50 | = | 7.0 | Functional | ChEMBL | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 10.1038/s41467-023-40064-9 | ||
| 3083544 | 57618 | 28 | None | -30 | 4 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 4943 | 57618 | 28 | None | -30 | 4 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1363 | 57618 | 28 | None | -30 | 4 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1038/s41467-023-40064-9 | ||
| DB00983 | 57618 | 28 | None | -30 | 4 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1038/s41467-023-40064-9 | ||
| DB01274 | 57618 | 28 | None | -30 | 4 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 100 | 8289 | 46 | None | -144 | 23 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | ||
| 2637 | 8289 | 46 | None | -144 | 23 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | ||
| 5452 | 8289 | 46 | None | -144 | 23 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL479 | 8289 | 46 | None | -144 | 23 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | ||
| DB00679 | 8289 | 46 | None | -144 | 23 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | ||
| 11980903 | 38402 | 12 | None | -354 | 25 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 382 | 4 | 0 | 2 | 5.3 | Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 22526 | 38402 | 12 | None | -354 | 25 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 382 | 4 | 0 | 2 | 5.3 | Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 5281035 | 38402 | 12 | None | -354 | 25 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 382 | 4 | 0 | 2 | 5.3 | Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1201303 | 38402 | 12 | None | -354 | 25 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 382 | 4 | 0 | 2 | 5.3 | Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| DB06816 | 38402 | 12 | None | -354 | 25 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 382 | 4 | 0 | 2 | 5.3 | Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 2713 | 470127 | 64 | None | -5 | 26 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| 5353524 | 470127 | 64 | None | -5 | 26 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| 5360566 | 470127 | 64 | None | -5 | 26 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| 88536661 | 470127 | 64 | None | -5 | 26 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| 9552079 | 470127 | 64 | None | -5 | 26 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL790 | 470127 | 64 | None | -5 | 26 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| DB00878 | 470127 | 64 | None | -5 | 26 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| 6436135 | 199770 | 30 | None | -1 | 2 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 412 | 9 | 2 | 4 | 5.8 | CCC(CC)(CC(=O)Nc1cccc(/C=C/c2nc(C3CCC3)cs2)c1)C(=O)O | 10.1038/s41467-023-40064-9 | ||
| 648 | 199770 | 30 | None | -1 | 2 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 412 | 9 | 2 | 4 | 5.8 | CCC(CC)(CC(=O)Nc1cccc(/C=C/c2nc(C3CCC3)cs2)c1)C(=O)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL283754 | 199770 | 30 | None | -1 | 2 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 412 | 9 | 2 | 4 | 5.8 | CCC(CC)(CC(=O)Nc1cccc(/C=C/c2nc(C3CCC3)cs2)c1)C(=O)O | 10.1038/s41467-023-40064-9 | ||
| DB00587 | 199770 | 30 | None | -1 | 2 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 412 | 9 | 2 | 4 | 5.8 | CCC(CC)(CC(=O)Nc1cccc(/C=C/c2nc(C3CCC3)cs2)c1)C(=O)O | 10.1038/s41467-023-40064-9 | ||
| 5906 | 38405 | 15 | None | -1 | 4 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 167 | 2 | 3 | 3 | 0.8 | C[C@H](N)[C@H](O)c1cccc(O)c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1201319 | 38405 | 15 | None | -1 | 4 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 167 | 2 | 3 | 3 | 0.8 | C[C@H](N)[C@H](O)c1cccc(O)c1 | 10.1038/s41467-023-40064-9 | ||
| DB00610 | 38405 | 15 | None | -1 | 4 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 167 | 2 | 3 | 3 | 0.8 | C[C@H](N)[C@H](O)c1cccc(O)c1 | 10.1038/s41467-023-40064-9 | ||
| 202 | 3105 | 49 | None | -10 | 17 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 60835 | 3105 | 49 | None | -10 | 17 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 972 | 3105 | 49 | None | -10 | 17 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1175 | 3105 | 49 | None | -10 | 17 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB00476 | 3105 | 49 | None | -10 | 17 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 3191 | 202914 | 68 | None | -95 | 14 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 977 | 202914 | 68 | None | -95 | 14 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL305660 | 202914 | 68 | None | -95 | 14 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1038/s41467-023-40064-9 | ||
| DB11742 | 202914 | 68 | None | -95 | 14 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 1786 | 5120 | 49 | None | 4 | 3 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1038/s41467-023-40064-9 | ||
| 4171 | 5120 | 49 | None | 4 | 3 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1038/s41467-023-40064-9 | ||
| 553 | 5120 | 49 | None | 4 | 3 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL13 | 5120 | 49 | None | 4 | 3 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1038/s41467-023-40064-9 | ||
| DB00264 | 5120 | 49 | None | 4 | 3 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1038/s41467-023-40064-9 | ||
| 6436173 | 117955 | 32 | None | -4 | 22 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 785 | 2 | 5 | 13 | 6.2 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1617 | 117955 | 32 | None | -4 | 22 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 785 | 2 | 5 | 13 | 6.2 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | ||
| DB01220 | 117955 | 32 | None | -4 | 22 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 785 | 2 | 5 | 13 | 6.2 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | ||
| 2274 | 6448 | 36 | None | -363 | 20 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| 4917 | 6448 | 36 | None | -363 | 20 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| 7279 | 6448 | 36 | None | -363 | 20 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL728 | 6448 | 36 | None | -363 | 20 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| DB00433 | 6448 | 36 | None | -363 | 20 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| 3464 | 6446 | 11 | None | -85 | 2 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 290 | 5 | 4 | 4 | 2.0 | CCC(C(c1ccc(c2c1ccc(=O)[nH]2)O)O)NC(C)C | 10.1038/s41467-023-40064-9 | ||
| 4916 | 6446 | 11 | None | -85 | 2 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 290 | 5 | 4 | 4 | 2.0 | CCC(C(c1ccc(c2c1ccc(=O)[nH]2)O)O)NC(C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL160519 | 6446 | 11 | None | -85 | 2 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 290 | 5 | 4 | 4 | 2.0 | CCC(C(c1ccc(c2c1ccc(=O)[nH]2)O)O)NC(C)C | 10.1038/s41467-023-40064-9 | ||
| DB01366 | 6446 | 11 | None | -85 | 2 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 290 | 5 | 4 | 4 | 2.0 | CCC(C(c1ccc(c2c1ccc(=O)[nH]2)O)O)NC(C)C | 10.1038/s41467-023-40064-9 | ||
| 31729 | 461868 | 6 | None | -5 | 5 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | CC(NCCc1ccc(O)cc1)C(O)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL83063 | 461868 | 6 | None | -5 | 5 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | CC(NCCc1ccc(O)cc1)C(O)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | ||
| 3926 | 474146 | 33 | None | -27 | 18 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 491 | 9 | 1 | 3 | 5.8 | Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL92870 | 474146 | 33 | None | -27 | 18 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 491 | 9 | 1 | 3 | 5.8 | Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1038/s41467-023-40064-9 | ||
| DB13766 | 474146 | 33 | None | -27 | 18 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 491 | 9 | 1 | 3 | 5.8 | Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1038/s41467-023-40064-9 | ||
| 1016 | 8173 | 46 | None | -19 | 17 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 2561 | 8173 | 46 | None | -19 | 17 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 2733526 | 8173 | 46 | None | -19 | 17 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL83 | 8173 | 46 | None | -19 | 17 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| DB00675 | 8173 | 46 | None | -19 | 17 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 2267 | 1156 | 50 | None | -741 | 14 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 271 | 1156 | 50 | None | -741 | 14 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 7121 | 1156 | 50 | None | -741 | 14 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL639 | 1156 | 50 | None | -741 | 14 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB00972 | 1156 | 50 | None | -741 | 14 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 2435 | 7298 | 64 | None | -208 | 19 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1038/s41467-023-40064-9 | ||
| 60149 | 7298 | 64 | None | -208 | 19 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1038/s41467-023-40064-9 | ||
| 98 | 7298 | 64 | None | -208 | 19 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL12713 | 7298 | 64 | None | -208 | 19 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1038/s41467-023-40064-9 | ||
| DB06144 | 7298 | 64 | None | -208 | 19 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1038/s41467-023-40064-9 | ||
| 2540 | 18749 | 72 | None | -1148 | 26 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 610 | 10 | 1 | 11 | 6.3 | CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 475 | 18749 | 72 | None | -1148 | 26 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 610 | 10 | 1 | 11 | 6.3 | CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1014 | 18749 | 72 | None | -1148 | 26 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 610 | 10 | 1 | 11 | 6.3 | CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1038/s41467-023-40064-9 | ||
| DB00796 | 18749 | 72 | None | -1148 | 26 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 610 | 10 | 1 | 11 | 6.3 | CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 64139 | 175742 | 64 | None | -3 | 8 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 315 | 0 | 1 | 2 | 4.1 | O=C1Nc2ccc(Cl)cc2[C@@](C#CC2CC2)(C(F)(F)F)O1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL223228 | 175742 | 64 | None | -3 | 8 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 315 | 0 | 1 | 2 | 4.1 | O=C1Nc2ccc(Cl)cc2[C@@](C#CC2CC2)(C(F)(F)F)O1 | 10.1038/s41467-023-40064-9 | ||
| DB00625 | 175742 | 64 | None | -3 | 8 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 315 | 0 | 1 | 2 | 4.1 | O=C1Nc2ccc(Cl)cc2[C@@](C#CC2CC2)(C(F)(F)F)O1 | 10.1038/s41467-023-40064-9 | ||
| 451668 | 38370 | 64 | None | None | None | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 228 | 2 | 3 | 8 | -2.1 | Nc1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1201129 | 38370 | 64 | None | None | None | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 228 | 2 | 3 | 8 | -2.1 | Nc1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1 | 10.1038/s41467-023-40064-9 | ||
| DB01262 | 38370 | 64 | None | None | None | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 228 | 2 | 3 | 8 | -2.1 | Nc1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1 | 10.1038/s41467-023-40064-9 | ||
| 33624 | 8322 | 24 | None | -1 | 3 | Human | 8.6 | pAC50 | = | 8.6 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1038/s41467-023-40064-9 | ||
| 4061 | 8322 | 24 | None | -1 | 3 | Human | 8.6 | pAC50 | = | 8.6 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1038/s41467-023-40064-9 | ||
| 565 | 8322 | 24 | None | -1 | 3 | Human | 8.6 | pAC50 | = | 8.6 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL499 | 8322 | 24 | None | -1 | 3 | Human | 8.6 | pAC50 | = | 8.6 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1038/s41467-023-40064-9 | ||
| DB00373 | 8322 | 24 | None | -1 | 3 | Human | 8.6 | pAC50 | = | 8.6 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1038/s41467-023-40064-9 | ||
| 1222 | 3419 | 44 | None | -467 | 23 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 3396 | 3419 | 44 | None | -467 | 23 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 85 | 3419 | 44 | None | -467 | 23 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL46516 | 3419 | 44 | None | -467 | 23 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| DB04842 | 3419 | 44 | None | -467 | 23 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 1836 | 5276 | 50 | None | -6 | 5 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | 10.1038/s41467-023-40064-9 | ||
| 3340 | 5276 | 50 | None | -6 | 5 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | 10.1038/s41467-023-40064-9 | ||
| 5281040 | 5276 | 50 | None | -6 | 5 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL787 | 5276 | 50 | None | -6 | 5 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | 10.1038/s41467-023-40064-9 | ||
| DB00471 | 5276 | 50 | None | -6 | 5 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | 10.1038/s41467-023-40064-9 | ||
| 2767 | 313429 | 63 | None | -10 | 17 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 441 | 5 | 2 | 6 | 4.4 | Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2 | 10.1038/s41467-023-40064-9 | ||
| 5591 | 313429 | 63 | None | -10 | 17 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 441 | 5 | 2 | 6 | 4.4 | Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL408 | 313429 | 63 | None | -10 | 17 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 441 | 5 | 2 | 6 | 4.4 | Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2 | 10.1038/s41467-023-40064-9 | ||
| DB00197 | 313429 | 63 | None | -10 | 17 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 441 | 5 | 2 | 6 | 4.4 | Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2 | 10.1038/s41467-023-40064-9 | ||
| 3151 | 3013 | 70 | None | -3388 | 14 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 945 | 3013 | 70 | None | -3388 | 14 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 965 | 3013 | 70 | None | -3388 | 14 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL219916 | 3013 | 70 | None | -3388 | 14 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB01184 | 3013 | 70 | None | -3388 | 14 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 2303 | 6476 | 48 | None | -4 | 14 | Human | 7.7 | pAC50 | = | 7.7 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
| 4946 | 6476 | 48 | None | -4 | 14 | Human | 7.7 | pAC50 | = | 7.7 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
| 564 | 6476 | 48 | None | -4 | 14 | Human | 7.7 | pAC50 | = | 7.7 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
| 63 | 6476 | 48 | None | -4 | 14 | Human | 7.7 | pAC50 | = | 7.7 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
| 91536 | 6476 | 48 | None | -4 | 14 | Human | 7.7 | pAC50 | = | 7.7 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL27 | 6476 | 48 | None | -4 | 14 | Human | 7.7 | pAC50 | = | 7.7 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL452861 | 6476 | 48 | None | -4 | 14 | Human | 7.7 | pAC50 | = | 7.7 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
| DB00571 | 6476 | 48 | None | -4 | 14 | Human | 7.7 | pAC50 | = | 7.7 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
| 5282219 | 79340 | 49 | None | -3 | 9 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 450 | 12 | 1 | 5 | 5.7 | CC(C)=CCOc1ccc(/C=C/C(=O)c2ccc(OCC=C(C)C)cc2OCC(=O)O)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1441961 | 79340 | 49 | None | -3 | 9 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 450 | 12 | 1 | 5 | 5.7 | CC(C)=CCOc1ccc(/C=C/C(=O)c2ccc(OCC=C(C)C)cc2OCC(=O)O)cc1 | 10.1038/s41467-023-40064-9 | ||
| DB05197 | 79340 | 49 | None | -3 | 9 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 450 | 12 | 1 | 5 | 5.7 | CC(C)=CCOc1ccc(/C=C/C(=O)c2ccc(OCC=C(C)C)cc2OCC(=O)O)cc1 | 10.1038/s41467-023-40064-9 | ||
| 105 | 7039 | 60 | None | -19 | 2 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1038/s41467-023-40064-9 | ||
| 2083 | 7039 | 60 | None | -19 | 2 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1038/s41467-023-40064-9 | ||
| 558 | 7039 | 60 | None | -19 | 2 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL714 | 7039 | 60 | None | -19 | 2 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1038/s41467-023-40064-9 | ||
| DB01001 | 7039 | 60 | None | -19 | 2 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1038/s41467-023-40064-9 | ||
| 11976 | 1897 | 43 | None | -7244 | 14 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | 10.1038/s41467-023-40064-9 | ||
| 623 | 1897 | 43 | None | -7244 | 14 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | 10.1038/s41467-023-40064-9 | ||
| 667466 | 1897 | 43 | None | -7244 | 14 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | 10.1038/s41467-023-40064-9 | ||
| 667467 | 1897 | 43 | None | -7244 | 14 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | 10.1038/s41467-023-40064-9 | ||
| CHEMBL908 | 1897 | 43 | None | -7244 | 14 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | 10.1038/s41467-023-40064-9 | ||
| DB01239 | 1897 | 43 | None | -7244 | 14 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | 10.1038/s41467-023-40064-9 | ||
| 155774 | 8875 | 30 | None | 28 | 2 | Human | 6.7 | pAC50 | = | 6.7 | Functional | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10.1038/s41467-023-40064-9 | ||
| 2848 | 8875 | 30 | None | 28 | 2 | Human | 6.7 | pAC50 | = | 6.7 | Functional | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10.1038/s41467-023-40064-9 | ||
| 538 | 8875 | 30 | None | 28 | 2 | Human | 6.7 | pAC50 | = | 6.7 | Functional | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL75753 | 8875 | 30 | None | 28 | 2 | Human | 6.7 | pAC50 | = | 6.7 | Functional | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10.1038/s41467-023-40064-9 | ||
| DB13781 | 8875 | 30 | None | 28 | 2 | Human | 6.7 | pAC50 | = | 6.7 | Functional | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10.1038/s41467-023-40064-9 | ||
| 180 | 829 | 44 | None | -1778 | 27 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 200 | 829 | 44 | None | -1778 | 27 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 2160 | 829 | 44 | None | -1778 | 27 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL629 | 829 | 44 | None | -1778 | 27 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| DB00321 | 829 | 44 | None | -1778 | 27 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 1419 | 193823 | 38 | None | -52 | 12 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 325 | 5 | 2 | 3 | 3.8 | CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | ||
| 3689 | 193823 | 38 | None | -52 | 12 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 325 | 5 | 2 | 3 | 3.8 | CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL305187 | 193823 | 38 | None | -52 | 12 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 325 | 5 | 2 | 3 | 3.8 | CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | ||
| DB08954 | 193823 | 38 | None | -52 | 12 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 325 | 5 | 2 | 3 | 3.8 | CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | ||
| 1971 | 5840 | 38 | None | -1348 | 22 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 2404 | 5840 | 38 | None | -1348 | 22 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 4543 | 5840 | 38 | None | -1348 | 22 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL445 | 5840 | 38 | None | -1348 | 22 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB00540 | 5840 | 38 | None | -1348 | 22 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 5482 | 38332 | 59 | None | -13 | 13 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 386 | 6 | 0 | 4 | 5.9 | Clc1ccc(C(Cn2ccnc2)OCc2ccsc2Cl)c(Cl)c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1200438 | 38332 | 59 | None | -13 | 13 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 386 | 6 | 0 | 4 | 5.9 | Clc1ccc(C(Cn2ccnc2)OCc2ccsc2Cl)c(Cl)c1 | 10.1038/s41467-023-40064-9 | ||
| DB01007 | 38332 | 59 | None | -13 | 13 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 386 | 6 | 0 | 4 | 5.9 | Clc1ccc(C(Cn2ccnc2)OCc2ccsc2Cl)c(Cl)c1 | 10.1038/s41467-023-40064-9 | ||
| 2419 | 7043 | 56 | None | -162 | 10 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
| 5152 | 7043 | 56 | None | -162 | 10 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
| 559 | 7043 | 56 | None | -162 | 10 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1263 | 7043 | 56 | None | -162 | 10 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
| DB00938 | 7043 | 56 | None | -162 | 10 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
| 129211 | 8177 | 49 | None | -1479 | 12 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1038/s41467-023-40064-9 | ||
| 2562 | 8177 | 49 | None | -1479 | 12 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1038/s41467-023-40064-9 | ||
| 488 | 8177 | 49 | None | -1479 | 12 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL836 | 8177 | 49 | None | -1479 | 12 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1038/s41467-023-40064-9 | ||
| DB00706 | 8177 | 49 | None | -1479 | 12 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1038/s41467-023-40064-9 | ||
| 26987 | 1955 | 32 | None | -7762 | 22 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41467-023-40064-9 | ||
| 6063 | 1955 | 32 | None | -7762 | 22 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41467-023-40064-9 | ||
| 671 | 1955 | 32 | None | -7762 | 22 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1626 | 1955 | 32 | None | -7762 | 22 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41467-023-40064-9 | ||
| DB00283 | 1955 | 32 | None | -7762 | 22 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41467-023-40064-9 | ||
| 4640 | 159843 | 24 | None | -218 | 11 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 379 | 6 | 1 | 4 | 3.9 | COc1cc2[nH]c(C)c(CCN3CCN(c4ccccc4)CC3)c2cc1OC | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2107011 | 159843 | 24 | None | -218 | 11 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 379 | 6 | 1 | 4 | 3.9 | COc1cc2[nH]c(C)c(CCN3CCN(c4ccccc4)CC3)c2cc1OC | 10.1038/s41467-023-40064-9 | ||
| DB13403 | 159843 | 24 | None | -218 | 11 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 379 | 6 | 1 | 4 | 3.9 | COc1cc2[nH]c(C)c(CCN3CCN(c4ccccc4)CC3)c2cc1OC | 10.1038/s41467-023-40064-9 | ||
| 4486 | 241544 | 23 | None | None | None | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 405 | 11 | 2 | 9 | 0.3 | Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL360861 | 241544 | 23 | None | None | None | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 405 | 11 | 2 | 9 | 0.3 | Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O | 10.1038/s41467-023-40064-9 | ||
| DB16008 | 241544 | 23 | None | None | None | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 405 | 11 | 2 | 9 | 0.3 | Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O | 10.1038/s41467-023-40064-9 | ||
| 1549120 | 393450 | 55 | None | -17 | 19 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 319 | 4 | 1 | 4 | 2.9 | CC(/C=C1\SC(=S)N(CC(=O)O)C1=O)=C\c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL56337 | 393450 | 55 | None | -17 | 19 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 319 | 4 | 1 | 4 | 2.9 | CC(/C=C1\SC(=S)N(CC(=O)O)C1=O)=C\c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| DB15293 | 393450 | 55 | None | -17 | 19 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 319 | 4 | 1 | 4 | 2.9 | CC(/C=C1\SC(=S)N(CC(=O)O)C1=O)=C\c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 2372 | 216137 | 33 | None | 12 | 6 | Human | 7.6 | pAC50 | = | 7.6 | Functional | ChEMBL | 345 | 10 | 2 | 5 | 2.6 | COc1ccc(CCNCC(O)COc2cccc(C)c2)cc1OC | 10.1038/s41467-023-40064-9 | ||
| CHEMBL314010 | 216137 | 33 | None | 12 | 6 | Human | 7.6 | pAC50 | = | 7.6 | Functional | ChEMBL | 345 | 10 | 2 | 5 | 2.6 | COc1ccc(CCNCC(O)COc2cccc(C)c2)cc1OC | 10.1038/s41467-023-40064-9 | ||
| DB01295 | 216137 | 33 | None | 12 | 6 | Human | 7.6 | pAC50 | = | 7.6 | Functional | ChEMBL | 345 | 10 | 2 | 5 | 2.6 | COc1ccc(CCNCC(O)COc2cccc(C)c2)cc1OC | 10.1038/s41467-023-40064-9 | ||
| 2782 | 24492 | 43 | None | -3 | 2 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 227 | 3 | 2 | 2 | 2.8 | CC(C)(C)NCC(O)c1ccccc1Cl | 10.1038/s41467-023-40064-9 | ||
| 5606 | 24492 | 43 | None | -3 | 2 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 227 | 3 | 2 | 2 | 2.8 | CC(C)(C)NCC(O)c1ccccc1Cl | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1159717 | 24492 | 43 | None | -3 | 2 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 227 | 3 | 2 | 2 | 2.8 | CC(C)(C)NCC(O)c1ccccc1Cl | 10.1038/s41467-023-40064-9 | ||
| DB12248 | 24492 | 43 | None | -3 | 2 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 227 | 3 | 2 | 2 | 2.8 | CC(C)(C)NCC(O)c1ccccc1Cl | 10.1038/s41467-023-40064-9 | ||
| 65948 | 42417 | 69 | None | -12 | 6 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 582 | 9 | 2 | 9 | 4.7 | CC1=C(C(=O)OC(C)C)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OC2CN(C(c3ccccc3)c3ccccc3)C2)=C(N)N1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1275868 | 42417 | 69 | None | -12 | 6 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 582 | 9 | 2 | 9 | 4.7 | CC1=C(C(=O)OC(C)C)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OC2CN(C(c3ccccc3)c3ccccc3)C2)=C(N)N1 | 10.1038/s41467-023-40064-9 | ||
| DB09230 | 42417 | 69 | None | -12 | 6 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 582 | 9 | 2 | 9 | 4.7 | CC1=C(C(=O)OC(C)C)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OC2CN(C(c3ccccc3)c3ccccc3)C2)=C(N)N1 | 10.1038/s41467-023-40064-9 | ||
| 4908 | 371987 | 57 | None | -5 | 7 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 259 | 6 | 2 | 4 | 2.8 | COc1cc(NC(C)CCCN)c2ncccc2c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL506 | 371987 | 57 | None | -5 | 7 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 259 | 6 | 2 | 4 | 2.8 | COc1cc(NC(C)CCCN)c2ncccc2c1 | 10.1038/s41467-023-40064-9 | ||
| DB01087 | 371987 | 57 | None | -5 | 7 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 259 | 6 | 2 | 4 | 2.8 | COc1cc(NC(C)CCCN)c2ncccc2c1 | 10.1038/s41467-023-40064-9 | ||
| 4452 | 5640 | 12 | None | -8912 | 18 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 387 | 6 | 2 | 4 | 3.8 | COc1cc(NC)c(cc1C(=O)NC1CCN(C1C)Cc1ccccc1)Cl | 10.1038/s41467-023-40064-9 | ||
| 983 | 5640 | 12 | None | -8912 | 18 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 387 | 6 | 2 | 4 | 3.8 | COc1cc(NC)c(cc1C(=O)NC1CCN(C1C)Cc1ccccc1)Cl | 10.1038/s41467-023-40064-9 | ||
| CHEMBL20734 | 5640 | 12 | None | -8912 | 18 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 387 | 6 | 2 | 4 | 3.8 | COc1cc(NC)c(cc1C(=O)NC1CCN(C1C)Cc1ccccc1)Cl | 10.1038/s41467-023-40064-9 | ||
| 2470 | 8060 | 43 | None | -7079 | 15 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 3300 | 8060 | 43 | None | -7079 | 15 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 5265 | 8060 | 43 | None | -7079 | 15 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL267930 | 8060 | 43 | None | -7079 | 15 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 216239 | 47615 | 74 | None | -15 | 9 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 464 | 5 | 3 | 4 | 5.6 | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 | 10.1038/s41467-023-40064-9 | ||
| 2459 | 47615 | 74 | None | -15 | 9 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 464 | 5 | 3 | 4 | 5.6 | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1336 | 47615 | 74 | None | -15 | 9 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 464 | 5 | 3 | 4 | 5.6 | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 | 10.1038/s41467-023-40064-9 | ||
| DB00398 | 47615 | 74 | None | -15 | 9 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 464 | 5 | 3 | 4 | 5.6 | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 | 10.1038/s41467-023-40064-9 | ||
| 3760 | 97073 | 29 | None | -3 | 5 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(C(Cn2ccnc2)OCc2c(Cl)cccc2Cl)c(Cl)c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1571863 | 97073 | 29 | None | -3 | 5 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(C(Cn2ccnc2)OCc2c(Cl)cccc2Cl)c(Cl)c1 | 10.1038/s41467-023-40064-9 | ||
| DB08943 | 97073 | 29 | None | -3 | 5 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(C(Cn2ccnc2)OCc2c(Cl)cccc2Cl)c(Cl)c1 | 10.1038/s41467-023-40064-9 | ||
| 30323 | 125224 | 40 | None | -7 | 19 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 527 | 4 | 5 | 11 | 1.0 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL178 | 125224 | 40 | None | -7 | 19 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 527 | 4 | 5 | 11 | 1.0 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 | 10.1038/s41467-023-40064-9 | ||
| DB00694 | 125224 | 40 | None | -7 | 19 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 527 | 4 | 5 | 11 | 1.0 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 | 10.1038/s41467-023-40064-9 | ||
| 135398735 | 270475 | 30 | None | -12 | 27 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 822 | 4 | 6 | 15 | 4.3 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | ||
| 136262914 | 270475 | 30 | None | -12 | 27 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 822 | 4 | 6 | 15 | 4.3 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | ||
| 5381226 | 270475 | 30 | None | -12 | 27 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 822 | 4 | 6 | 15 | 4.3 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL374478 | 270475 | 30 | None | -12 | 27 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 822 | 4 | 6 | 15 | 4.3 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | ||
| DB01045 | 270475 | 30 | None | -12 | 27 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 822 | 4 | 6 | 15 | 4.3 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | ||
| 176 | 823 | 54 | None | -16 | 21 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 2157 | 823 | 54 | None | -16 | 21 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 2566 | 823 | 54 | None | -16 | 21 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL633 | 823 | 54 | None | -16 | 21 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB01118 | 823 | 54 | None | -16 | 21 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 2333 | 279489 | 72 | None | -25 | 13 | Human | 4.5 | pAC50 | = | 4.5 | Functional | ChEMBL | 422 | 3 | 1 | 3 | 5.5 | CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1 | 10.1038/s41467-023-40064-9 | ||
| 318 | 279489 | 72 | None | -25 | 13 | Human | 4.5 | pAC50 | = | 4.5 | Functional | ChEMBL | 422 | 3 | 1 | 3 | 5.5 | CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL388590 | 279489 | 72 | None | -25 | 13 | Human | 4.5 | pAC50 | = | 4.5 | Functional | ChEMBL | 422 | 3 | 1 | 3 | 5.5 | CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1 | 10.1038/s41467-023-40064-9 | ||
| DB12319 | 279489 | 72 | None | -25 | 13 | Human | 4.5 | pAC50 | = | 4.5 | Functional | ChEMBL | 422 | 3 | 1 | 3 | 5.5 | CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1 | 10.1038/s41467-023-40064-9 | ||
| 1887 | 5630 | 45 | None | 22 | 23 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | ||
| 189562 | 5630 | 45 | None | 22 | 23 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | ||
| 71301 | 5630 | 45 | None | 22 | 23 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | ||
| 7246 | 5630 | 45 | None | 22 | 23 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | ||
| 9844194 | 5630 | 45 | None | 22 | 23 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2365658 | 5630 | 45 | None | 22 | 23 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL3526436 | 5630 | 45 | None | 22 | 23 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL434394 | 5630 | 45 | None | 22 | 23 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | ||
| DB04861 | 5630 | 45 | None | 22 | 23 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | ||
| 2585 | 1662 | 62 | None | 1 | 28 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | ||
| 522 | 1662 | 62 | None | 1 | 28 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | ||
| 551 | 1662 | 62 | None | 1 | 28 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL723 | 1662 | 62 | None | 1 | 28 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | ||
| DB01136 | 1662 | 62 | None | 1 | 28 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | ||
| 3149 | 26881 | 13 | None | -8 | 26 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 334 | 15 | 0 | 1 | 6.1 | CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1187011 | 26881 | 13 | None | -8 | 26 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 334 | 15 | 0 | 1 | 6.1 | CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| DB11594 | 26881 | 13 | None | -8 | 26 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 334 | 15 | 0 | 1 | 6.1 | CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 2601 | 8241 | 23 | None | -1023 | 14 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | 10.1038/s41467-023-40064-9 | ||
| 443951 | 8241 | 23 | None | -1023 | 14 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | 10.1038/s41467-023-40064-9 | ||
| 56 | 8241 | 23 | None | -1023 | 14 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | 10.1038/s41467-023-40064-9 | ||
| CHEMBL73151 | 8241 | 23 | None | -1023 | 14 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | 10.1038/s41467-023-40064-9 | ||
| DB13399 | 8241 | 23 | None | -1023 | 14 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | 10.1038/s41467-023-40064-9 | ||
| 5311064 | 2816 | 32 | None | -3 | 5 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 317 | 8 | 3 | 5 | 2.3 | COc1cc(CCNC[C@@H](c2ccc(cc2)O)O)ccc1OC | 10.1038/s41467-023-40064-9 | ||
| 534 | 2816 | 32 | None | -3 | 5 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 317 | 8 | 3 | 5 | 2.3 | COc1cc(CCNC[C@@H](c2ccc(cc2)O)O)ccc1OC | 10.1038/s41467-023-40064-9 | ||
| 806 | 2816 | 32 | None | -3 | 5 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 317 | 8 | 3 | 5 | 2.3 | COc1cc(CCNC[C@@H](c2ccc(cc2)O)O)ccc1OC | 10.1038/s41467-023-40064-9 | ||
| CHEMBL493682 | 2816 | 32 | None | -3 | 5 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 317 | 8 | 3 | 5 | 2.3 | COc1cc(CCNC[C@@H](c2ccc(cc2)O)O)ccc1OC | 10.1038/s41467-023-40064-9 | ||
| 150 | 5099 | 16 | None | -1174 | 13 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 10.1038/s41467-023-40064-9 | ||
| 1764 | 5099 | 16 | None | -1174 | 13 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 10.1038/s41467-023-40064-9 | ||
| 8226 | 5099 | 16 | None | -1174 | 13 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1201356 | 5099 | 16 | None | -1174 | 13 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 10.1038/s41467-023-40064-9 | ||
| DB00353 | 5099 | 16 | None | -1174 | 13 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 10.1038/s41467-023-40064-9 | ||
| 2291 | 6470 | 51 | None | 10 | 6 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
| 2561 | 6470 | 51 | None | 10 | 6 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
| 4932 | 6470 | 51 | None | 10 | 6 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL631 | 6470 | 51 | None | 10 | 6 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
| DB01182 | 6470 | 51 | None | 10 | 6 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
| 2464 | 7398 | 37 | None | -3 | 2 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 10.1038/s41467-023-40064-9 | ||
| 5253 | 7398 | 37 | None | -3 | 2 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 10.1038/s41467-023-40064-9 | ||
| 7297 | 7398 | 37 | None | -3 | 2 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL471 | 7398 | 37 | None | -3 | 2 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 10.1038/s41467-023-40064-9 | ||
| DB00489 | 7398 | 37 | None | -3 | 2 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 10.1038/s41467-023-40064-9 | ||
| 1976 | 24250 | 34 | None | -72 | 12 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 299 | 7 | 3 | 3 | 3.4 | CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | ||
| 4567 | 24250 | 34 | None | -72 | 12 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 299 | 7 | 3 | 3 | 3.4 | CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL114655 | 24250 | 34 | None | -72 | 12 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 299 | 7 | 3 | 3 | 3.4 | CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | ||
| DB06152 | 24250 | 34 | None | -72 | 12 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 299 | 7 | 3 | 3 | 3.4 | CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | ||
| 2176 | 6361 | 47 | None | 1 | 5 | Human | 8.4 | pAC50 | = | 8.4 | Functional | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
| 4828 | 6361 | 47 | None | 1 | 5 | Human | 8.4 | pAC50 | = | 8.4 | Functional | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
| 91 | 6361 | 47 | None | 1 | 5 | Human | 8.4 | pAC50 | = | 8.4 | Functional | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL500 | 6361 | 47 | None | 1 | 5 | Human | 8.4 | pAC50 | = | 8.4 | Functional | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
| DB00960 | 6361 | 47 | None | 1 | 5 | Human | 8.4 | pAC50 | = | 8.4 | Functional | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
| 389 | 239896 | 36 | None | 1 | 10 | Human | 8.3 | pAC50 | = | 8.3 | Functional | ChEMBL | 380 | 7 | 2 | 4 | 4.5 | Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1 | 10.1038/s41467-023-40064-9 | ||
| 44112 | 239896 | 36 | None | 1 | 10 | Human | 8.3 | pAC50 | = | 8.3 | Functional | ChEMBL | 380 | 7 | 2 | 4 | 4.5 | Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL357995 | 239896 | 36 | None | 1 | 10 | Human | 8.3 | pAC50 | = | 8.3 | Functional | ChEMBL | 380 | 7 | 2 | 4 | 4.5 | Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1 | 10.1038/s41467-023-40064-9 | ||
| DB08807 | 239896 | 36 | None | 1 | 10 | Human | 8.3 | pAC50 | = | 8.3 | Functional | ChEMBL | 380 | 7 | 2 | 4 | 4.5 | Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1 | 10.1038/s41467-023-40064-9 | ||
| 9931954 | 25215 | 63 | None | -3 | 2 | Human | 4.4 | pAC50 | = | 4.4 | Functional | ChEMBL | 323 | 3 | 3 | 2 | 3.0 | CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1173055 | 25215 | 63 | None | -3 | 2 | Human | 4.4 | pAC50 | = | 4.4 | Functional | ChEMBL | 323 | 3 | 3 | 2 | 3.0 | CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1 | 10.1038/s41467-023-40064-9 | ||
| DB12332 | 25215 | 63 | None | -3 | 2 | Human | 4.4 | pAC50 | = | 4.4 | Functional | ChEMBL | 323 | 3 | 3 | 2 | 3.0 | CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1 | 10.1038/s41467-023-40064-9 | ||
| 3486 | 6418 | 47 | None | -1 | 2 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
| 4883 | 6418 | 47 | None | -1 | 2 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
| 555 | 6418 | 47 | None | -1 | 2 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL6995 | 6418 | 47 | None | -1 | 2 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
| DB01297 | 6418 | 47 | None | -1 | 2 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
| 25382 | 23462 | 27 | None | -141 | 21 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 291 | 3 | 0 | 1 | 4.7 | CN(C)CCC=C1c2ccccc2C(C)(C)c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL110094 | 23462 | 27 | None | -141 | 21 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 291 | 3 | 0 | 1 | 4.7 | CN(C)CCC=C1c2ccccc2C(C)(C)c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| DB13384 | 23462 | 27 | None | -141 | 21 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 291 | 3 | 0 | 1 | 4.7 | CN(C)CCC=C1c2ccccc2C(C)(C)c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| 36811 | 2998 | 34 | None | -123 | 14 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| 535 | 2998 | 34 | None | -123 | 14 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| 937 | 2998 | 34 | None | -123 | 14 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL926 | 2998 | 34 | None | -123 | 14 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| DB00841 | 2998 | 34 | None | -123 | 14 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| 16362 | 6358 | 55 | None | -616 | 31 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 2172 | 6358 | 55 | None | -616 | 31 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 90 | 6358 | 55 | None | -616 | 31 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1423 | 6358 | 55 | None | -616 | 31 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB01100 | 6358 | 55 | None | -616 | 31 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 2318 | 310871 | 17 | None | -8 | 15 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 351 | 7 | 1 | 3 | 4.1 | CC(Cc1cccc(C(F)(F)F)c1)NCCOC(=O)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL400599 | 310871 | 17 | None | -8 | 15 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 351 | 7 | 1 | 3 | 4.1 | CC(Cc1cccc(C(F)(F)F)c1)NCCOC(=O)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| DB09022 | 310871 | 17 | None | -8 | 15 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 351 | 7 | 1 | 3 | 4.1 | CC(Cc1cccc(C(F)(F)F)c1)NCCOC(=O)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 11504295 | 5953 | 40 | None | -338 | 8 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | 10.1038/s41467-023-40064-9 | ||
| 4814 | 5953 | 40 | None | -338 | 8 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | 10.1038/s41467-023-40064-9 | ||
| 7543 | 5953 | 40 | None | -338 | 8 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL605846 | 5953 | 40 | None | -338 | 8 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | 10.1038/s41467-023-40064-9 | ||
| DB09080 | 5953 | 40 | None | -338 | 8 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | 10.1038/s41467-023-40064-9 | ||
| 2398 | 1965 | 48 | None | -89 | 25 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
| 2801 | 1965 | 48 | None | -89 | 25 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
| 701 | 1965 | 48 | None | -89 | 25 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL415 | 1965 | 48 | None | -89 | 25 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
| DB01242 | 1965 | 48 | None | -89 | 25 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
| 1499 | 4274 | 42 | None | -4 | 4 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1038/s41467-023-40064-9 | ||
| 3779 | 4274 | 42 | None | -4 | 4 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1038/s41467-023-40064-9 | ||
| 536 | 4274 | 42 | None | -4 | 4 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL434 | 4274 | 42 | None | -4 | 4 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1038/s41467-023-40064-9 | ||
| DB01064 | 4274 | 42 | None | -4 | 4 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1038/s41467-023-40064-9 | ||
| 137 | 765 | 35 | None | -5 | 7 | Human | 8.2 | pAC50 | = | 8.2 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1038/s41467-023-40064-9 | ||
| 2119 | 765 | 35 | None | -5 | 7 | Human | 8.2 | pAC50 | = | 8.2 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1038/s41467-023-40064-9 | ||
| 563 | 765 | 35 | None | -5 | 7 | Human | 8.2 | pAC50 | = | 8.2 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1038/s41467-023-40064-9 | ||
| 66368 | 765 | 35 | None | -5 | 7 | Human | 8.2 | pAC50 | = | 8.2 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL266195 | 765 | 35 | None | -5 | 7 | Human | 8.2 | pAC50 | = | 8.2 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1038/s41467-023-40064-9 | ||
| DB00866 | 765 | 35 | None | -5 | 7 | Human | 8.2 | pAC50 | = | 8.2 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1038/s41467-023-40064-9 | ||
| 2027 | 389514 | 22 | None | -1 | 5 | Human | 8.2 | pAC50 | = | 8.2 | Functional | ChEMBL | 265 | 9 | 2 | 4 | 2.0 | C=CCOc1ccccc1OCC(O)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
| 4631 | 389514 | 22 | None | -1 | 5 | Human | 8.2 | pAC50 | = | 8.2 | Functional | ChEMBL | 265 | 9 | 2 | 4 | 2.0 | C=CCOc1ccccc1OCC(O)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL546 | 389514 | 22 | None | -1 | 5 | Human | 8.2 | pAC50 | = | 8.2 | Functional | ChEMBL | 265 | 9 | 2 | 4 | 2.0 | C=CCOc1ccccc1OCC(O)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
| DB01580 | 389514 | 22 | None | -1 | 5 | Human | 8.2 | pAC50 | = | 8.2 | Functional | ChEMBL | 265 | 9 | 2 | 4 | 2.0 | C=CCOc1ccccc1OCC(O)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
| 123707 | 98133 | 32 | None | 1 | 12 | Human | 7.2 | pAC50 | = | 7.2 | Functional | ChEMBL | 380 | 9 | 3 | 6 | 1.4 | COc1ccccc1OCCNCC(O)c1ccc(C)c(S(N)(=O)=O)c1 | 10.1038/s41467-023-40064-9 | ||
| 2169 | 98133 | 32 | None | 1 | 12 | Human | 7.2 | pAC50 | = | 7.2 | Functional | ChEMBL | 380 | 9 | 3 | 6 | 1.4 | COc1ccccc1OCCNCC(O)c1ccc(C)c(S(N)(=O)=O)c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL152231 | 98133 | 32 | None | 1 | 12 | Human | 7.2 | pAC50 | = | 7.2 | Functional | ChEMBL | 380 | 9 | 3 | 6 | 1.4 | COc1ccccc1OCCNCC(O)c1ccc(C)c(S(N)(=O)=O)c1 | 10.1038/s41467-023-40064-9 | ||
| 1155 | 3351 | 39 | None | -79 | 8 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| 3343 | 3351 | 39 | None | -79 | 8 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| 557 | 3351 | 39 | None | -79 | 8 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL32800 | 3351 | 39 | None | -79 | 8 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| DB01288 | 3351 | 39 | None | -79 | 8 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| 5329102 | 387203 | 55 | None | -54 | 37 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 398 | 7 | 3 | 3 | 3.3 | CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL535 | 387203 | 55 | None | -54 | 37 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 398 | 7 | 3 | 3 | 3.3 | CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C | 10.1038/s41467-023-40064-9 | ||
| DB01268 | 387203 | 55 | None | -54 | 37 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 398 | 7 | 3 | 3 | 3.3 | CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C | 10.1038/s41467-023-40064-9 | ||
| 2249 | 1058 | 67 | None | 7 | 3 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
| 255 | 1058 | 67 | None | 7 | 3 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
| 548 | 1058 | 67 | None | 7 | 3 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL24 | 1058 | 67 | None | 7 | 3 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
| DB00335 | 1058 | 67 | None | 7 | 3 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
| 9801 | 174427 | 27 | None | -17 | 16 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 329 | 8 | 1 | 1 | 5.4 | CC(Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL24072 | 174427 | 27 | None | -17 | 16 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 329 | 8 | 1 | 1 | 5.4 | CC(Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| DB04825 | 174427 | 27 | None | -17 | 16 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 329 | 8 | 1 | 1 | 5.4 | CC(Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 135409453 | 8225 | 26 | None | -85 | 33 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | ||
| 226 | 8225 | 26 | None | -85 | 33 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | ||
| 2579 | 8225 | 26 | None | -85 | 33 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | ||
| 5362436 | 8225 | 26 | None | -85 | 33 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | ||
| CHEMBL76370 | 8225 | 26 | None | -85 | 33 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | ||
| DB01079 | 8225 | 26 | None | -85 | 33 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | ||
| 242 | 971 | 74 | None | -63 | 29 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
| 34 | 971 | 74 | None | -63 | 29 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
| 60795 | 971 | 74 | None | -63 | 29 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1112 | 971 | 74 | None | -63 | 29 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
| DB01238 | 971 | 74 | None | -63 | 29 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
| 2663 | 199008 | 20 | None | 60 | 2 | Human | 7.1 | pAC50 | = | 7.1 | Functional | ChEMBL | 379 | 9 | 3 | 5 | 2.9 | CCN(CC)C(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(C(C)=O)c1 | 10.1038/s41467-023-40064-9 | ||
| 569 | 199008 | 20 | None | 60 | 2 | Human | 7.1 | pAC50 | = | 7.1 | Functional | ChEMBL | 379 | 9 | 3 | 5 | 2.9 | CCN(CC)C(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(C(C)=O)c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL27810 | 199008 | 20 | None | 60 | 2 | Human | 7.1 | pAC50 | = | 7.1 | Functional | ChEMBL | 379 | 9 | 3 | 5 | 2.9 | CCN(CC)C(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(C(C)=O)c1 | 10.1038/s41467-023-40064-9 | ||
| DB04846 | 199008 | 20 | None | 60 | 2 | Human | 7.1 | pAC50 | = | 7.1 | Functional | ChEMBL | 379 | 9 | 3 | 5 | 2.9 | CCN(CC)C(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(C(C)=O)c1 | 10.1038/s41467-023-40064-9 | ||
| 2335 | 26122 | 15 | None | -9 | 30 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 3018 | 26122 | 15 | None | -9 | 30 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1182210 | 26122 | 15 | None | -9 | 30 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| DB11125 | 26122 | 15 | None | -9 | 30 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 56959 | 65183 | 65 | None | -5 | 8 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 427 | 9 | 2 | 6 | 2.3 | COc1ccccc1OCC(O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1404 | 65183 | 65 | None | -5 | 8 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 427 | 9 | 2 | 6 | 2.3 | COc1ccccc1OCC(O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1 | 10.1038/s41467-023-40064-9 | ||
| DB00243 | 65183 | 65 | None | -5 | 8 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 427 | 9 | 2 | 6 | 2.3 | COc1ccccc1OCC(O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1 | 10.1038/s41467-023-40064-9 | ||
| 2796 | 199133 | 56 | None | -15 | 11 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 387 | 7 | 1 | 8 | 0.7 | COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1 | 10.1038/s41467-023-40064-9 | ||
| 5639 | 199133 | 56 | None | -15 | 11 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 387 | 7 | 1 | 8 | 0.7 | COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL279229 | 199133 | 56 | None | -15 | 11 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 387 | 7 | 1 | 8 | 0.7 | COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1 | 10.1038/s41467-023-40064-9 | ||
| DB12661 | 199133 | 56 | None | -15 | 11 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 387 | 7 | 1 | 8 | 0.7 | COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1 | 10.1038/s41467-023-40064-9 | ||
| 2351 | 18649 | 37 | None | -3 | 21 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 366 | 10 | 0 | 3 | 4.8 | CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1008 | 18649 | 37 | None | -3 | 21 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 366 | 10 | 0 | 3 | 4.8 | CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1 | 10.1038/s41467-023-40064-9 | ||
| DB01244 | 18649 | 37 | None | -3 | 21 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 366 | 10 | 0 | 3 | 4.8 | CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1 | 10.1038/s41467-023-40064-9 | ||
| 11658860 | 4776 | 23 | None | -39 | 10 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1038/s41467-023-40064-9 | ||
| 2941 | 4776 | 23 | None | -39 | 10 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1038/s41467-023-40064-9 | ||
| 4374 | 4776 | 23 | None | -39 | 10 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL360328 | 4776 | 23 | None | -39 | 10 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1038/s41467-023-40064-9 | ||
| DB04871 | 4776 | 23 | None | -39 | 10 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1038/s41467-023-40064-9 | ||
| 119607 | 473188 | 71 | None | 1 | 6 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 314 | 3 | 1 | 4 | 3.0 | Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1 | 10.1038/s41467-023-40064-9 | ||
| 2799 | 473188 | 71 | None | 1 | 6 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 314 | 3 | 1 | 4 | 3.0 | Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL865 | 473188 | 71 | None | 1 | 6 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 314 | 3 | 1 | 4 | 3.0 | Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1 | 10.1038/s41467-023-40064-9 | ||
| DB00580 | 473188 | 71 | None | 1 | 6 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 314 | 3 | 1 | 4 | 3.0 | Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1 | 10.1038/s41467-023-40064-9 | ||
| 2436 | 470362 | 35 | None | -23 | 24 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| 68617 | 470362 | 35 | None | -23 | 24 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL809 | 470362 | 35 | None | -23 | 24 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| DB01104 | 470362 | 35 | None | -23 | 24 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| 16363 | 1232 | 41 | None | -1621 | 21 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 381 | 6 | 1 | 4 | 3.8 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 312 | 1232 | 41 | None | -1621 | 21 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 381 | 6 | 1 | 4 | 3.8 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 9215 | 1232 | 41 | None | -1621 | 21 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 381 | 6 | 1 | 4 | 3.8 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL297302 | 1232 | 41 | None | -1621 | 21 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 381 | 6 | 1 | 4 | 3.8 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB12867 | 1232 | 41 | None | -1621 | 21 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 381 | 6 | 1 | 4 | 3.8 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 1054 | 3263 | 41 | None | 31 | 2 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | 10.1038/s41467-023-40064-9 | ||
| 59768 | 3263 | 41 | None | 31 | 2 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | 10.1038/s41467-023-40064-9 | ||
| 7178 | 3263 | 41 | None | 31 | 2 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL768 | 3263 | 41 | None | 31 | 2 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | 10.1038/s41467-023-40064-9 | ||
| DB00187 | 3263 | 41 | None | 31 | 2 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | 10.1038/s41467-023-40064-9 | ||
| 275196 | 251180 | 36 | None | -26 | 5 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 413 | 4 | 0 | 8 | 2.9 | COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL364713 | 251180 | 36 | None | -26 | 5 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 413 | 4 | 0 | 8 | 2.9 | COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C | 10.1038/s41467-023-40064-9 | ||
| DB06174 | 251180 | 36 | None | -26 | 5 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 413 | 4 | 0 | 8 | 2.9 | COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C | 10.1038/s41467-023-40064-9 | ||
| 156419 | 1933 | 51 | None | -12 | 14 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 357 | 6 | 1 | 1 | 6.1 | C[C@H](c1cccc2c1cccc2)NCCCc1cccc(c1)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| 3308 | 1933 | 51 | None | -12 | 14 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 357 | 6 | 1 | 1 | 6.1 | C[C@H](c1cccc2c1cccc2)NCCCc1cccc(c1)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| 647 | 1933 | 51 | None | -12 | 14 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 357 | 6 | 1 | 1 | 6.1 | C[C@H](c1cccc2c1cccc2)NCCCc1cccc(c1)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1201284 | 1933 | 51 | None | -12 | 14 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 357 | 6 | 1 | 1 | 6.1 | C[C@H](c1cccc2c1cccc2)NCCCc1cccc(c1)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| DB01012 | 1933 | 51 | None | -12 | 14 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 357 | 6 | 1 | 1 | 6.1 | C[C@H](c1cccc2c1cccc2)NCCCc1cccc(c1)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| 41684 | 64851 | 70 | None | -19 | 30 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 307 | 4 | 1 | 7 | 2.2 | CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1401 | 64851 | 70 | None | -19 | 30 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 307 | 4 | 1 | 7 | 2.2 | CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1 | 10.1038/s41467-023-40064-9 | ||
| DB00507 | 64851 | 70 | None | -19 | 30 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 307 | 4 | 1 | 7 | 2.2 | CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1 | 10.1038/s41467-023-40064-9 | ||
| 1673 | 1981 | 14 | None | -1 | 3 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 299 | 1 | 1 | 4 | 1.5 | COc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C | 10.1038/s41467-023-40064-9 | ||
| 5284371 | 1981 | 14 | None | -1 | 3 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 299 | 1 | 1 | 4 | 1.5 | COc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C | 10.1038/s41467-023-40064-9 | ||
| 725 | 1981 | 14 | None | -1 | 3 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 299 | 1 | 1 | 4 | 1.5 | COc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL485 | 1981 | 14 | None | -1 | 3 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 299 | 1 | 1 | 4 | 1.5 | COc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C | 10.1038/s41467-023-40064-9 | ||
| DB00318 | 1981 | 14 | None | -1 | 3 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 299 | 1 | 1 | 4 | 1.5 | COc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C | 10.1038/s41467-023-40064-9 | ||
| 31101 | 1504 | 27 | None | -331 | 22 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | ||
| 35 | 1504 | 27 | None | -331 | 22 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | ||
| 403 | 1504 | 27 | None | -331 | 22 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL493 | 1504 | 27 | None | -331 | 22 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | ||
| DB01200 | 1504 | 27 | None | -331 | 22 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | ||
| 135564886 | 38403 | 5 | None | -3 | 25 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 752 | 14 | 1 | 6 | 8.7 | CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21 | 10.1038/s41467-023-40064-9 | ||
| 135673376 | 38403 | 5 | None | -3 | 25 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 752 | 14 | 1 | 6 | 8.7 | CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21 | 10.1038/s41467-023-40064-9 | ||
| 137157436 | 38403 | 5 | None | -3 | 25 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 752 | 14 | 1 | 6 | 8.7 | CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21 | 10.1038/s41467-023-40064-9 | ||
| 145948239 | 38403 | 5 | None | -3 | 25 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 752 | 14 | 1 | 6 | 8.7 | CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21 | 10.1038/s41467-023-40064-9 | ||
| 71587099 | 38403 | 5 | None | -3 | 25 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 752 | 14 | 1 | 6 | 8.7 | CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1201304 | 38403 | 5 | None | -3 | 25 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 752 | 14 | 1 | 6 | 8.7 | CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21 | 10.1038/s41467-023-40064-9 | ||
| DB16024 | 38403 | 5 | None | -3 | 25 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 752 | 14 | 1 | 6 | 8.7 | CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21 | 10.1038/s41467-023-40064-9 | ||
| 1028 | 599 | 43 | None | -204 | 9 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
| 479 | 599 | 43 | None | -204 | 9 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
| 5816 | 599 | 43 | None | -204 | 9 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL679 | 599 | 43 | None | -204 | 9 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
| DB00668 | 599 | 43 | None | -204 | 9 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
| 2405 | 1368 | 47 | None | 17 | 3 | Human | 7.0 | pAC50 | = | 7 | Functional | ChEMBL | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
| 380 | 1368 | 47 | None | 17 | 3 | Human | 7.0 | pAC50 | = | 7 | Functional | ChEMBL | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
| 7129 | 1368 | 47 | None | 17 | 3 | Human | 7.0 | pAC50 | = | 7 | Functional | ChEMBL | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL645 | 1368 | 47 | None | 17 | 3 | Human | 7.0 | pAC50 | = | 7 | Functional | ChEMBL | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
| DB00612 | 1368 | 47 | None | 17 | 3 | Human | 7.0 | pAC50 | = | 7 | Functional | ChEMBL | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
| 9849126 | 26707 | 0 | None | 3 | 4 | Guinea pig | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 507 | 18 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(NC=O)c2)c1 | 10.1021/jm801016j | ||
| CHEMBL1185969 | 26707 | 0 | None | 3 | 4 | Guinea pig | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 507 | 18 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(NC=O)c2)c1 | 10.1021/jm801016j | ||
| 1499 | 4274 | 42 | None | 2 | 31 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm701324c | ||
| 3779 | 4274 | 42 | None | 2 | 31 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm701324c | ||
| 536 | 4274 | 42 | None | 2 | 31 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm701324c | ||
| CHEMBL434 | 4274 | 42 | None | 2 | 31 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm701324c | ||
| DB01064 | 4274 | 42 | None | 2 | 31 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm701324c | ||
| 1499 | 4274 | 42 | None | 2 | 31 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2008.08.009 | ||
| 3779 | 4274 | 42 | None | 2 | 31 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2008.08.009 | ||
| 536 | 4274 | 42 | None | 2 | 31 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2008.08.009 | ||
| CHEMBL434 | 4274 | 42 | None | 2 | 31 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2008.08.009 | ||
| DB01064 | 4274 | 42 | None | 2 | 31 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2008.08.009 | ||
| 1499 | 4274 | 42 | None | 2 | 31 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm800222k | ||
| 3779 | 4274 | 42 | None | 2 | 31 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm800222k | ||
| 536 | 4274 | 42 | None | 2 | 31 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm800222k | ||
| CHEMBL434 | 4274 | 42 | None | 2 | 31 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm800222k | ||
| DB01064 | 4274 | 42 | None | 2 | 31 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm800222k | ||
| 1499 | 4274 | 42 | None | 2 | 31 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm8000345 | ||
| 3779 | 4274 | 42 | None | 2 | 31 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm8000345 | ||
| 536 | 4274 | 42 | None | 2 | 31 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm8000345 | ||
| CHEMBL434 | 4274 | 42 | None | 2 | 31 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm8000345 | ||
| DB01064 | 4274 | 42 | None | 2 | 31 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm8000345 | ||
| 1499 | 4274 | 42 | None | 2 | 31 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2004.11.001 | ||
| 3779 | 4274 | 42 | None | 2 | 31 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2004.11.001 | ||
| 536 | 4274 | 42 | None | 2 | 31 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2004.11.001 | ||
| CHEMBL434 | 4274 | 42 | None | 2 | 31 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2004.11.001 | ||
| DB01064 | 4274 | 42 | None | 2 | 31 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2004.11.001 | ||
| 177641039 | 465244 | 0 | None | None | None | Human | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | 378 | 7 | 4 | 5 | 2.3 | O=C1COc2c(C(O)CNCCCc3cc(F)cc(F)c3)ccc(O)c2N1 | 10.1021/acs.jmedchem.3c02074 | ||
| CHEMBL6070273 | 465244 | 0 | None | None | None | Human | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | 378 | 7 | 4 | 5 | 2.3 | O=C1COc2c(C(O)CNCCCc3cc(F)cc(F)c3)ccc(O)c2N1 | 10.1021/acs.jmedchem.3c02074 | ||
| 177640581 | 465234 | 0 | None | None | None | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 358 | 7 | 5 | 6 | 1.7 | O=C1COc2c(C(O)CNCCCc3ccc(O)cc3)ccc(O)c2N1 | 10.1021/acs.jmedchem.3c02074 | ||
| CHEMBL6070231 | 465234 | 0 | None | None | None | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 358 | 7 | 5 | 6 | 1.7 | O=C1COc2c(C(O)CNCCCc3ccc(O)cc3)ccc(O)c2N1 | 10.1021/acs.jmedchem.3c02074 | ||
| 177641044 | 465264 | 0 | None | None | None | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 358 | 7 | 5 | 6 | 1.7 | O=C1COc2c(C(O)CNCCCc3ccccc3O)ccc(O)c2N1 | 10.1021/acs.jmedchem.3c02074 | ||
| CHEMBL6070455 | 465264 | 0 | None | None | None | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 358 | 7 | 5 | 6 | 1.7 | O=C1COc2c(C(O)CNCCCc3ccccc3O)ccc(O)c2N1 | 10.1021/acs.jmedchem.3c02074 | ||
| 11268355 | 196741 | 0 | None | 1 | 3 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 358 | 7 | 3 | 3 | 4.1 | COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)c[nH]c12 | 10.1016/s0960-894x(03)00073-8 | ||
| CHEMBL26183 | 196741 | 0 | None | 1 | 3 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 358 | 7 | 3 | 3 | 4.1 | COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)c[nH]c12 | 10.1016/s0960-894x(03)00073-8 | ||
| 177640004 | 465226 | 0 | None | None | None | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 358 | 7 | 5 | 6 | 1.7 | O=C1COc2c(C(O)CNCCCc3cccc(O)c3)ccc(O)c2N1 | 10.1021/acs.jmedchem.3c02074 | ||
| CHEMBL6070181 | 465226 | 0 | None | None | None | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 358 | 7 | 5 | 6 | 1.7 | O=C1COc2c(C(O)CNCCCc3cccc(O)c3)ccc(O)c2N1 | 10.1021/acs.jmedchem.3c02074 | ||
| 177640792 | 465196 | 0 | None | None | None | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 360 | 7 | 4 | 5 | 2.1 | O=C1COc2c(C(O)CNCCCc3cccc(F)c3)ccc(O)c2N1 | 10.1021/acs.jmedchem.3c02074 | ||
| CHEMBL6069944 | 465196 | 0 | None | None | None | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 360 | 7 | 4 | 5 | 2.1 | O=C1COc2c(C(O)CNCCCc3cccc(F)c3)ccc(O)c2N1 | 10.1021/acs.jmedchem.3c02074 | ||
| 177641048 | 465289 | 0 | None | None | None | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 360 | 7 | 4 | 5 | 2.1 | O=C1COc2c(C(O)CNCCCc3ccccc3F)ccc(O)c2N1 | 10.1021/acs.jmedchem.3c02074 | ||
| CHEMBL6070679 | 465289 | 0 | None | None | None | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 360 | 7 | 4 | 5 | 2.1 | O=C1COc2c(C(O)CNCCCc3ccccc3F)ccc(O)c2N1 | 10.1021/acs.jmedchem.3c02074 | ||
| 177640810 | 465262 | 0 | None | None | None | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 372 | 8 | 4 | 6 | 2.0 | COc1ccccc1CCCNCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1021/acs.jmedchem.3c02074 | ||
| CHEMBL6070433 | 465262 | 0 | None | None | None | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 372 | 8 | 4 | 6 | 2.0 | COc1ccccc1CCCNCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1021/acs.jmedchem.3c02074 | ||
| 177640798 | 465215 | 0 | None | None | None | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 376 | 7 | 4 | 5 | 2.6 | O=C1COc2c(C(O)CNCCCc3ccc(Cl)cc3)ccc(O)c2N1 | 10.1021/acs.jmedchem.3c02074 | ||
| CHEMBL6070117 | 465215 | 0 | None | None | None | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 376 | 7 | 4 | 5 | 2.6 | O=C1COc2c(C(O)CNCCCc3ccc(Cl)cc3)ccc(O)c2N1 | 10.1021/acs.jmedchem.3c02074 | ||
| 177640841 | 465129 | 0 | None | None | None | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 356 | 7 | 4 | 5 | 2.3 | Cc1cccc(CCCNCC(O)c2ccc(O)c3c2OCC(=O)N3)c1 | 10.1021/acs.jmedchem.3c02074 | ||
| CHEMBL6069070 | 465129 | 0 | None | None | None | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 356 | 7 | 4 | 5 | 2.3 | Cc1cccc(CCCNCC(O)c2ccc(O)c3c2OCC(=O)N3)c1 | 10.1021/acs.jmedchem.3c02074 | ||
| 177640489 | 465254 | 0 | None | None | None | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 360 | 7 | 4 | 5 | 2.1 | O=C1COc2c(C(O)CNCCCc3ccc(F)cc3)ccc(O)c2N1 | 10.1021/acs.jmedchem.3c02074 | ||
| CHEMBL6070374 | 465254 | 0 | None | None | None | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 360 | 7 | 4 | 5 | 2.1 | O=C1COc2c(C(O)CNCCCc3ccc(F)cc3)ccc(O)c2N1 | 10.1021/acs.jmedchem.3c02074 | ||
| 177639998 | 465205 | 0 | None | None | None | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 342 | 7 | 4 | 5 | 2.0 | O=C1COc2c(C(O)CNCCCc3ccccc3)ccc(O)c2N1 | 10.1021/acs.jmedchem.3c02074 | ||
| CHEMBL6070012 | 465205 | 0 | None | None | None | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 342 | 7 | 4 | 5 | 2.0 | O=C1COc2c(C(O)CNCCCc3ccccc3)ccc(O)c2N1 | 10.1021/acs.jmedchem.3c02074 | ||
| 69648727 | 465238 | 0 | None | -13 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 356 | 8 | 4 | 5 | 2.4 | O=C1COc2c(C(O)CNCCCCc3ccccc3)ccc(O)c2N1 | 10.1021/acs.jmedchem.3c02074 | ||
| CHEMBL6070244 | 465238 | 0 | None | -13 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 356 | 8 | 4 | 5 | 2.4 | O=C1COc2c(C(O)CNCCCCc3ccccc3)ccc(O)c2N1 | 10.1021/acs.jmedchem.3c02074 | ||
| 1239 | 3447 | 41 | None | 2 | 5 | Guinea pig | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1021/jm801016j | ||
| 3410 | 3447 | 41 | None | 2 | 5 | Guinea pig | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1021/jm801016j | ||
| 3465 | 3447 | 41 | None | 2 | 5 | Guinea pig | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1021/jm801016j | ||
| CHEMBL1256786 | 3447 | 41 | None | 2 | 5 | Guinea pig | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1021/jm801016j | ||
| DB00983 | 3447 | 41 | None | 2 | 5 | Guinea pig | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1021/jm801016j | ||
| 177640896 | 465240 | 0 | None | None | None | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 356 | 7 | 4 | 5 | 2.3 | Cc1ccccc1CCCNCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1021/acs.jmedchem.3c02074 | ||
| CHEMBL6070256 | 465240 | 0 | None | None | None | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 356 | 7 | 4 | 5 | 2.3 | Cc1ccccc1CCCNCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1021/acs.jmedchem.3c02074 | ||
| 177639954 | 465266 | 0 | None | None | None | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 372 | 8 | 4 | 6 | 2.0 | COc1cccc(CCCNCC(O)c2ccc(O)c3c2OCC(=O)N3)c1 | 10.1021/acs.jmedchem.3c02074 | ||
| CHEMBL6070486 | 465266 | 0 | None | None | None | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 372 | 8 | 4 | 6 | 2.0 | COc1cccc(CCCNCC(O)c2ccc(O)c3c2OCC(=O)N3)c1 | 10.1021/acs.jmedchem.3c02074 | ||
| 177640418 | 465126 | 0 | None | -16 | 2 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 410 | 7 | 4 | 5 | 3.0 | O=C1COc2c(C(O)CNCCCc3cccc(C(F)(F)F)c3)ccc(O)c2N1 | 10.1021/acs.jmedchem.3c02074 | ||
| CHEMBL6069056 | 465126 | 0 | None | -16 | 2 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 410 | 7 | 4 | 5 | 3.0 | O=C1COc2c(C(O)CNCCCc3cccc(C(F)(F)F)c3)ccc(O)c2N1 | 10.1021/acs.jmedchem.3c02074 | ||
| 69648731 | 465269 | 0 | None | None | None | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 372 | 8 | 4 | 6 | 2.0 | COc1ccc(CCCNCC(O)c2ccc(O)c3c2OCC(=O)N3)cc1 | 10.1021/acs.jmedchem.3c02074 | ||
| CHEMBL6070493 | 465269 | 0 | None | None | None | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 372 | 8 | 4 | 6 | 2.0 | COc1ccc(CCCNCC(O)c2ccc(O)c3c2OCC(=O)N3)cc1 | 10.1021/acs.jmedchem.3c02074 | ||
| 24936881 | 41387 | 0 | None | 1 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 476 | 8 | 3 | 8 | 4.1 | Oc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1257913 | 41387 | 0 | None | 1 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 476 | 8 | 3 | 8 | 4.1 | Oc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | ||
| 12065 | 1298 | 32 | None | -6 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 370 | 6 | 4 | 5 | 2.7 | Cc1ccccc1CC(C)(C)NCC(c1c2c(c(cc1)O)NC(=O)CO2)O | 10.1016/j.bmcl.2009.10.013 | ||
| 45483813 | 1298 | 32 | None | -6 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 370 | 6 | 4 | 5 | 2.7 | Cc1ccccc1CC(C)(C)NCC(c1c2c(c(cc1)O)NC(=O)CO2)O | 10.1016/j.bmcl.2009.10.013 | ||
| CHEMBL579394 | 1298 | 32 | None | -6 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 370 | 6 | 4 | 5 | 2.7 | Cc1ccccc1CC(C)(C)NCC(c1c2c(c(cc1)O)NC(=O)CO2)O | 10.1016/j.bmcl.2009.10.013 | ||
| 164622827 | 371763 | 0 | None | -26 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 400 | 7 | 4 | 4 | 3.9 | CC(C)(CCc1cccc(Cl)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028721 | 371763 | 0 | None | -26 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 400 | 7 | 4 | 4 | 3.9 | CC(C)(CCc1cccc(Cl)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| 177641031 | 465201 | 0 | None | None | None | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 356 | 7 | 4 | 5 | 2.3 | Cc1ccc(CCCNCC(O)c2ccc(O)c3c2OCC(=O)N3)cc1 | 10.1021/acs.jmedchem.3c02074 | ||
| CHEMBL6069965 | 465201 | 0 | None | None | None | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 356 | 7 | 4 | 5 | 2.3 | Cc1ccc(CCCNCC(O)c2ccc(O)c3c2OCC(=O)N3)cc1 | 10.1021/acs.jmedchem.3c02074 | ||
| 9891927 | 365841 | 9 | None | -5 | 4 | Guinea pig | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| CHEMBL483201 | 365841 | 9 | None | -5 | 4 | Guinea pig | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| 45483810 | 394238 | 1 | None | -3 | 2 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 356 | 6 | 4 | 5 | 2.4 | CC(C)(Cc1ccccc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.10.013 | ||
| CHEMBL567863 | 394238 | 1 | None | -3 | 2 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 356 | 6 | 4 | 5 | 2.4 | CC(C)(Cc1ccccc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.10.013 | ||
| 123686 | 4050 | 42 | None | 74 | 3 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 354 | 9 | 4 | 5 | 1.7 | C1=CC=C(C=C1)NC(=O)NCCNCC(COC2=CC=CC=C2C#N)O | 10.1021/jm400348g | ||
| 12581 | 4050 | 42 | None | 74 | 3 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 354 | 9 | 4 | 5 | 1.7 | C1=CC=C(C=C1)NC(=O)NCCNCC(COC2=CC=CC=C2C#N)O | 10.1021/jm400348g | ||
| CHEMBL11268 | 4050 | 42 | None | 74 | 3 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 354 | 9 | 4 | 5 | 1.7 | C1=CC=C(C=C1)NC(=O)NCCNCC(COC2=CC=CC=C2C#N)O | 10.1021/jm400348g | ||
| 1499 | 4274 | 42 | None | 2 | 31 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm9000709 | ||
| 3779 | 4274 | 42 | None | 2 | 31 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm9000709 | ||
| 536 | 4274 | 42 | None | 2 | 31 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm9000709 | ||
| CHEMBL434 | 4274 | 42 | None | 2 | 31 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm9000709 | ||
| DB01064 | 4274 | 42 | None | 2 | 31 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm9000709 | ||
| 164623105 | 371766 | 0 | None | -47 | 2 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 400 | 7 | 4 | 4 | 3.9 | CC(C)(CCc1ccc(Cl)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028738 | 371766 | 0 | None | -47 | 2 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 400 | 7 | 4 | 4 | 3.9 | CC(C)(CCc1ccc(Cl)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| 13345218 | 394313 | 0 | None | -8 | 2 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 372 | 6 | 5 | 6 | 2.1 | CC(C)(Cc1ccc(O)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.10.013 | ||
| CHEMBL568272 | 394313 | 0 | None | -8 | 2 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 372 | 6 | 5 | 6 | 2.1 | CC(C)(Cc1ccc(O)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.10.013 | ||
| 44392175 | 259676 | 0 | None | 1 | 2 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 480 | 12 | 5 | 7 | 3.2 | O=C(Nc1ccc(C[C@@H](CO)NC[C@H](O)COc2ccccc2)cc1)Nc1cccc([N+](=O)[O-])c1 | 10.1016/j.bmcl.2004.11.001 | ||
| CHEMBL369346 | 259676 | 0 | None | 1 | 2 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 480 | 12 | 5 | 7 | 3.2 | O=C(Nc1ccc(C[C@@H](CO)NC[C@H](O)COc2ccccc2)cc1)Nc1cccc([N+](=O)[O-])c1 | 10.1016/j.bmcl.2004.11.001 | ||
| 177640528 | 465115 | 0 | None | -32 | 2 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 342 | 6 | 4 | 5 | 1.9 | Cc1ccccc1CCNCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1021/acs.jmedchem.3c02074 | ||
| CHEMBL6068972 | 465115 | 0 | None | -32 | 2 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 342 | 6 | 4 | 5 | 1.9 | Cc1ccccc1CCNCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1021/acs.jmedchem.3c02074 | ||
| 1499 | 4274 | 42 | None | 2 | 31 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm0101500 | ||
| 3779 | 4274 | 42 | None | 2 | 31 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm0101500 | ||
| 536 | 4274 | 42 | None | 2 | 31 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm0101500 | ||
| CHEMBL434 | 4274 | 42 | None | 2 | 31 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm0101500 | ||
| DB01064 | 4274 | 42 | None | 2 | 31 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm0101500 | ||
| 1499 | 4274 | 42 | None | 2 | 31 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm0509445 | ||
| 3779 | 4274 | 42 | None | 2 | 31 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm0509445 | ||
| 536 | 4274 | 42 | None | 2 | 31 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm0509445 | ||
| CHEMBL434 | 4274 | 42 | None | 2 | 31 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm0509445 | ||
| DB01064 | 4274 | 42 | None | 2 | 31 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm0509445 | ||
| 177640481 | 465231 | 0 | None | None | None | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 292 | 4 | 4 | 5 | 1.3 | O=C1COc2c(C(O)CNC3CCCC3)ccc(O)c2N1 | 10.1021/acs.jmedchem.3c02074 | ||
| CHEMBL6070223 | 465231 | 0 | None | None | None | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 292 | 4 | 4 | 5 | 1.3 | O=C1COc2c(C(O)CNC3CCCC3)ccc(O)c2N1 | 10.1021/acs.jmedchem.3c02074 | ||
| 177640332 | 465296 | 0 | None | None | None | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 410 | 7 | 4 | 5 | 3.0 | O=C1COc2c(C(O)CNCCCc3ccc(C(F)(F)F)cc3)ccc(O)c2N1 | 10.1021/acs.jmedchem.3c02074 | ||
| CHEMBL6070795 | 465296 | 0 | None | None | None | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 410 | 7 | 4 | 5 | 3.0 | O=C1COc2c(C(O)CNCCCc3ccc(C(F)(F)F)cc3)ccc(O)c2N1 | 10.1021/acs.jmedchem.3c02074 | ||
| 1499 | 4274 | 42 | None | 2 | 31 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.ejmech.2021.113697 | ||
| 3779 | 4274 | 42 | None | 2 | 31 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.ejmech.2021.113697 | ||
| 536 | 4274 | 42 | None | 2 | 31 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL434 | 4274 | 42 | None | 2 | 31 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.ejmech.2021.113697 | ||
| DB01064 | 4274 | 42 | None | 2 | 31 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.ejmech.2021.113697 | ||
| 44392230 | 137896 | 1 | None | 1 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 479 | 12 | 6 | 6 | 3.0 | O=C(Nc1ccc(C[C@@H](CO)NC[C@H](O)COc2ccccc2)cc1)Nc1cccc(C(=O)O)c1 | 10.1016/j.bmcl.2004.11.001 | ||
| CHEMBL183283 | 137896 | 1 | None | 1 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 479 | 12 | 6 | 6 | 3.0 | O=C(Nc1ccc(C[C@@H](CO)NC[C@H](O)COc2ccccc2)cc1)Nc1cccc(C(=O)O)c1 | 10.1016/j.bmcl.2004.11.001 | ||
| 177640726 | 465195 | 0 | None | -58 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 264 | 4 | 4 | 5 | 0.5 | O=C1COc2c(C(O)CNC3CC3)ccc(O)c2N1 | 10.1021/acs.jmedchem.3c02074 | ||
| CHEMBL6069933 | 465195 | 0 | None | -58 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 264 | 4 | 4 | 5 | 0.5 | O=C1COc2c(C(O)CNC3CC3)ccc(O)c2N1 | 10.1021/acs.jmedchem.3c02074 | ||
| 177639808 | 465203 | 0 | None | -57 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 346 | 6 | 4 | 5 | 1.7 | O=C1COc2c(C(O)CNCCc3cccc(F)c3)ccc(O)c2N1 | 10.1021/acs.jmedchem.3c02074 | ||
| CHEMBL6069982 | 465203 | 0 | None | -57 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 346 | 6 | 4 | 5 | 1.7 | O=C1COc2c(C(O)CNCCc3cccc(F)c3)ccc(O)c2N1 | 10.1021/acs.jmedchem.3c02074 | ||
| 24822304 | 198165 | 0 | None | 6 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 412 | 9 | 3 | 5 | 4.1 | O=C(O)c1ccc(Oc2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)nc1 | 10.1021/jm701324c | ||
| CHEMBL272234 | 198165 | 0 | None | 6 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 412 | 9 | 3 | 5 | 4.1 | O=C(O)c1ccc(Oc2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)nc1 | 10.1021/jm701324c | ||
| 105 | 7039 | 60 | None | -4 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/acs.jmedchem.1c02006 | ||
| 2083 | 7039 | 60 | None | -4 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/acs.jmedchem.1c02006 | ||
| 558 | 7039 | 60 | None | -4 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/acs.jmedchem.1c02006 | ||
| CHEMBL714 | 7039 | 60 | None | -4 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/acs.jmedchem.1c02006 | ||
| DB01001 | 7039 | 60 | None | -4 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/acs.jmedchem.1c02006 | ||
| 164615126 | 371708 | 0 | None | -104 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 382 | 8 | 4 | 5 | 2.9 | COc1ccccc1CCC(C)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028293 | 371708 | 0 | None | -104 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 382 | 8 | 4 | 5 | 2.9 | COc1ccccc1CCC(C)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| 90645347 | 221997 | 0 | None | -7 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 578 | 12 | 6 | 7 | 5.6 | CC(C)(N)COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298987 | 221997 | 0 | None | -7 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 578 | 12 | 6 | 7 | 5.6 | CC(C)(N)COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1 | 10.1016/j.bmcl.2014.04.095 | ||
| 177640071 | 465249 | 0 | None | -29 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 432 | 10 | 4 | 8 | 2.0 | COc1cc(CCCNCC(O)c2ccc(O)c3c2OCC(=O)N3)cc(OC)c1OC | 10.1021/acs.jmedchem.3c02074 | ||
| CHEMBL6070309 | 465249 | 0 | None | -29 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 432 | 10 | 4 | 8 | 2.0 | COc1cc(CCCNCC(O)c2ccc(O)c3c2OCC(=O)N3)cc(OC)c1OC | 10.1021/acs.jmedchem.3c02074 | ||
| 171037899 | 465186 | 0 | None | None | None | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 358 | 7 | 4 | 6 | 1.6 | COc1ccccc1CCNCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1021/acs.jmedchem.3c02074 | ||
| CHEMBL6069893 | 465186 | 0 | None | None | None | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 358 | 7 | 4 | 6 | 1.6 | COc1ccccc1CCNCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1021/acs.jmedchem.3c02074 | ||
| 177640169 | 465207 | 0 | None | -107 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 344 | 7 | 4 | 6 | 1.4 | O=C1COc2c(C(O)CNCCOc3ccccc3)ccc(O)c2N1 | 10.1021/acs.jmedchem.3c02074 | ||
| CHEMBL6070033 | 465207 | 0 | None | -107 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 344 | 7 | 4 | 6 | 1.4 | O=C1COc2c(C(O)CNCCOc3ccccc3)ccc(O)c2N1 | 10.1021/acs.jmedchem.3c02074 | ||
| 164618895 | 371738 | 0 | None | -95 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 400 | 7 | 4 | 4 | 3.9 | CC(C)(CCc1ccccc1Cl)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028525 | 371738 | 0 | None | -95 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 400 | 7 | 4 | 4 | 3.9 | CC(C)(CCc1ccccc1Cl)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| 1499 | 4274 | 42 | None | 2 | 31 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/acs.jmedchem.3c02074 | ||
| 3779 | 4274 | 42 | None | 2 | 31 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/acs.jmedchem.3c02074 | ||
| 536 | 4274 | 42 | None | 2 | 31 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/acs.jmedchem.3c02074 | ||
| CHEMBL434 | 4274 | 42 | None | 2 | 31 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/acs.jmedchem.3c02074 | ||
| DB01064 | 4274 | 42 | None | 2 | 31 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/acs.jmedchem.3c02074 | ||
| 45101519 | 408796 | 0 | None | -1 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 498 | 11 | 8 | 7 | 1.6 | CC(C)(Cc1ccc(NC(=O)CCCNC(=N)N)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.06.104 | ||
| CHEMBL577917 | 408796 | 0 | None | -1 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 498 | 11 | 8 | 7 | 1.6 | CC(C)(Cc1ccc(NC(=O)CCCNC(=N)N)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.06.104 | ||
| 24936492 | 41419 | 0 | None | -1 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 482 | 8 | 3 | 9 | 4.1 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5cccs5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258026 | 41419 | 0 | None | -1 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 482 | 8 | 3 | 9 | 4.1 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5cccs5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | ||
| 177640379 | 465210 | 0 | None | None | None | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 266 | 4 | 4 | 5 | 0.8 | CC(C)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1021/acs.jmedchem.3c02074 | ||
| CHEMBL6070071 | 465210 | 0 | None | None | None | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 266 | 4 | 4 | 5 | 0.8 | CC(C)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1021/acs.jmedchem.3c02074 | ||
| 164612078 | 371682 | 0 | None | -64 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 382 | 8 | 4 | 5 | 2.9 | COc1ccccc1CC[C@@H](C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028119 | 371682 | 0 | None | -64 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 382 | 8 | 4 | 5 | 2.9 | COc1ccccc1CC[C@@H](C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| 9927453 | 197018 | 0 | None | -1 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 328 | 6 | 3 | 2 | 4.1 | C[C@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
| CHEMBL26393 | 197018 | 0 | None | -1 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 328 | 6 | 3 | 2 | 4.1 | C[C@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
| 177640375 | 465191 | 0 | None | None | None | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 328 | 6 | 4 | 5 | 1.6 | O=C1COc2c(C(O)CNCCc3ccccc3)ccc(O)c2N1 | 10.1021/acs.jmedchem.3c02074 | ||
| CHEMBL6069904 | 465191 | 0 | None | None | None | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 328 | 6 | 4 | 5 | 1.6 | O=C1COc2c(C(O)CNCCc3ccccc3)ccc(O)c2N1 | 10.1021/acs.jmedchem.3c02074 | ||
| 42625513 | 26827 | 0 | None | -3 | 4 | Guinea pig | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 | 10.1021/jm801016j | ||
| CHEMBL1186722 | 26827 | 0 | None | -3 | 4 | Guinea pig | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 | 10.1021/jm801016j | ||
| 90645346 | 221979 | 0 | None | -2 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 578 | 13 | 6 | 7 | 4.7 | O=C(NCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1)c1ccccc1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298762 | 221979 | 0 | None | -2 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 578 | 13 | 6 | 7 | 4.7 | O=C(NCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1)c1ccccc1 | 10.1016/j.bmcl.2014.04.095 | ||
| 177640239 | 465294 | 0 | None | None | None | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 358 | 7 | 4 | 6 | 1.6 | COc1cccc(CCNCC(O)c2ccc(O)c3c2OCC(=O)N3)c1 | 10.1021/acs.jmedchem.3c02074 | ||
| CHEMBL6070774 | 465294 | 0 | None | None | None | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 358 | 7 | 4 | 6 | 1.6 | COc1cccc(CCNCC(O)c2ccc(O)c3c2OCC(=O)N3)c1 | 10.1021/acs.jmedchem.3c02074 | ||
| 42625517 | 26987 | 0 | None | -19 | 4 | Guinea pig | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 536 | 19 | 5 | 7 | 3.8 | CC(C)NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| CHEMBL1187654 | 26987 | 0 | None | -19 | 4 | Guinea pig | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 536 | 19 | 5 | 7 | 3.8 | CC(C)NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| 11180293 | 221992 | 0 | None | -22 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 543 | 12 | 6 | 8 | 3.1 | O=c1ccc2c([C@@H](O)CNCCc3ccc(Nc4ccc(OCCN5CCNCC5)cc4)cc3)ccc(O)c2[nH]1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298897 | 221992 | 0 | None | -22 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 543 | 12 | 6 | 8 | 3.1 | O=c1ccc2c([C@@H](O)CNCCc3ccc(Nc4ccc(OCCN5CCNCC5)cc4)cc3)ccc(O)c2[nH]1 | 10.1016/j.bmcl.2014.04.095 | ||
| 56668796 | 138892 | 0 | None | -31 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 598 | 20 | 7 | 7 | 4.3 | O=C(CNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)NC1CCCC1 | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1852632 | 138892 | 0 | None | -31 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 598 | 20 | 7 | 7 | 4.3 | O=C(CNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)NC1CCCC1 | 10.1016/j.bmc.2011.08.043 | ||
| 45273268 | 391063 | 0 | None | 194 | 2 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 362 | 10 | 3 | 4 | 4.0 | O[C@@H](CNCCc1ccc(Nc2ccccc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL556274 | 391063 | 0 | None | 194 | 2 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 362 | 10 | 3 | 4 | 4.0 | O[C@@H](CNCCc1ccc(Nc2ccccc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| 10217757 | 221757 | 0 | None | -31 | 4 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 497 | 12 | 5 | 6 | 5.2 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c(NC=O)c3)cc2)cc1-c1ccccc1 | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL3290998 | 221757 | 0 | None | -31 | 4 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 497 | 12 | 5 | 6 | 5.2 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c(NC=O)c3)cc2)cc1-c1ccccc1 | 10.1016/j.bmcl.2014.04.069 | ||
| 164614147 | 371696 | 0 | None | None | None | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 400 | 7 | 4 | 4 | 3.9 | CC(C)(CCc1cccc(Cl)c1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028233 | 371696 | 0 | None | None | None | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 400 | 7 | 4 | 4 | 3.9 | CC(C)(CCc1cccc(Cl)c1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| 164618813 | 371737 | 0 | None | -275 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 366 | 7 | 4 | 4 | 3.2 | Cc1ccc(CCC(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028523 | 371737 | 0 | None | -275 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 366 | 7 | 4 | 4 | 3.2 | Cc1ccc(CCC(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1016/j.ejmech.2021.113697 | ||
| 164619360 | 371741 | 0 | None | -371 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 370 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(F)cc1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028547 | 371741 | 0 | None | -371 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 370 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(F)cc1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| 1155 | 3351 | 39 | None | -2 | 4 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1016/j.ejmech.2022.114961 | ||
| 3343 | 3351 | 39 | None | -2 | 4 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1016/j.ejmech.2022.114961 | ||
| 557 | 3351 | 39 | None | -2 | 4 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1016/j.ejmech.2022.114961 | ||
| CHEMBL32800 | 3351 | 39 | None | -2 | 4 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1016/j.ejmech.2022.114961 | ||
| DB01288 | 3351 | 39 | None | -2 | 4 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1016/j.ejmech.2022.114961 | ||
| 155774 | 8875 | 30 | None | 64 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10.1021/jm400348g | ||
| 2848 | 8875 | 30 | None | 64 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10.1021/jm400348g | ||
| 538 | 8875 | 30 | None | 64 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10.1021/jm400348g | ||
| CHEMBL75753 | 8875 | 30 | None | 64 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10.1021/jm400348g | ||
| DB13781 | 8875 | 30 | None | 64 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10.1021/jm400348g | ||
| 10863093 | 103562 | 0 | None | -19 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 439 | 10 | 4 | 6 | 2.1 | C[C@H](CNc1ccc(CC(=O)NS(C)(=O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| CHEMBL157210 | 103562 | 0 | None | -19 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 439 | 10 | 4 | 6 | 2.1 | C[C@H](CNc1ccc(CC(=O)NS(C)(=O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| 16049450 | 136425 | 0 | None | -100 | 2 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 481 | 13 | 5 | 7 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSCCCNCCc3cccc(Cl)c3)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
| CHEMBL1807827 | 136425 | 0 | None | -100 | 2 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 481 | 13 | 5 | 7 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSCCCNCCc3cccc(Cl)c3)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
| 16049234 | 136426 | 0 | None | -158 | 2 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 481 | 13 | 5 | 7 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSCCCNCCc3ccccc3Cl)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
| CHEMBL1807828 | 136426 | 0 | None | -158 | 2 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 481 | 13 | 5 | 7 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSCCCNCCc3ccccc3Cl)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
| 16049448 | 136427 | 0 | None | -63 | 2 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 515 | 13 | 5 | 7 | 4.2 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSCCCNCCc3cccc(Cl)c3Cl)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
| CHEMBL1807829 | 136427 | 0 | None | -63 | 2 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 515 | 13 | 5 | 7 | 4.2 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSCCCNCCc3cccc(Cl)c3Cl)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
| 16049374 | 136431 | 0 | None | -79 | 2 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 481 | 13 | 5 | 7 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCSCCNCCc3cccc(Cl)c3)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
| CHEMBL1807869 | 136431 | 0 | None | -79 | 2 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 481 | 13 | 5 | 7 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCSCCNCCc3cccc(Cl)c3)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
| 1499 | 4274 | 42 | None | 2 | 31 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2009.03.044 | ||
| 3779 | 4274 | 42 | None | 2 | 31 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2009.03.044 | ||
| 536 | 4274 | 42 | None | 2 | 31 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2009.03.044 | ||
| CHEMBL434 | 4274 | 42 | None | 2 | 31 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2009.03.044 | ||
| DB01064 | 4274 | 42 | None | 2 | 31 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2009.03.044 | ||
| 9888047 | 184174 | 0 | None | -398 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 414 | 9 | 4 | 5 | 4.4 | C[C@H](CNc1cccc(-c2occc2C(=O)O)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| CHEMBL245673 | 184174 | 0 | None | -398 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 414 | 9 | 4 | 5 | 4.4 | C[C@H](CNc1cccc(-c2occc2C(=O)O)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| 44441231 | 294745 | 0 | None | -50 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 431 | 9 | 4 | 6 | 4.3 | C[C@H](CNc1cccc(-c2csc(C(=O)O)n2)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| CHEMBL393470 | 294745 | 0 | None | -50 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 431 | 9 | 4 | 6 | 4.3 | C[C@H](CNc1cccc(-c2csc(C(=O)O)n2)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| 44441235 | 297645 | 0 | None | -251 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 430 | 9 | 4 | 5 | 4.9 | C[C@H](CNc1ccc(-c2sccc2C(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| CHEMBL395834 | 297645 | 0 | None | -251 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 430 | 9 | 4 | 5 | 4.9 | C[C@H](CNc1ccc(-c2sccc2C(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| 45271523 | 389873 | 0 | None | -10 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 435 | 10 | 4 | 4 | 4.4 | Cc1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL550096 | 389873 | 0 | None | -10 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 435 | 10 | 4 | 4 | 4.4 | Cc1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| 45272417 | 390283 | 0 | None | -1 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 455 | 10 | 4 | 4 | 4.7 | O[C@@H](CNCCc1ccc(NC(=S)Nc2cccc(Cl)c2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL552368 | 390283 | 0 | None | -1 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 455 | 10 | 4 | 4 | 4.7 | O[C@@H](CNCCc1ccc(NC(=S)Nc2cccc(Cl)c2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| 42625823 | 26945 | 0 | None | -501 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 576 | 19 | 5 | 7 | 4.7 | O=S(=O)(NC1CCCCC1)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| CHEMBL1187371 | 26945 | 0 | None | -501 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 576 | 19 | 5 | 7 | 4.7 | O=S(=O)(NC1CCCCC1)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| 46832804 | 21315 | 0 | None | -50 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 496 | 17 | 5 | 8 | 1.9 | NS(=O)(=O)c1ccc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 | 10.1021/jm100326d | ||
| CHEMBL1084655 | 21315 | 0 | None | -50 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 496 | 17 | 5 | 8 | 1.9 | NS(=O)(=O)c1ccc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 | 10.1021/jm100326d | ||
| 10553603 | 199889 | 0 | None | 1 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 506 | 10 | 6 | 8 | 1.5 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(NC(=O)CC(=O)O)cc3)CC2)ccc1O | 10.1021/jm000544b | ||
| CHEMBL284612 | 199889 | 0 | None | 1 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 506 | 10 | 6 | 8 | 1.5 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(NC(=O)CC(=O)O)cc3)CC2)ccc1O | 10.1021/jm000544b | ||
| 177640834 | 465108 | 0 | None | -758 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 362 | 6 | 4 | 5 | 2.2 | O=C1COc2c(C(O)CNCCc3ccc(Cl)cc3)ccc(O)c2N1 | 10.1021/acs.jmedchem.3c02074 | ||
| CHEMBL6068908 | 465108 | 0 | None | -758 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 362 | 6 | 4 | 5 | 2.2 | O=C1COc2c(C(O)CNCCc3ccc(Cl)cc3)ccc(O)c2N1 | 10.1021/acs.jmedchem.3c02074 | ||
| 42625517 | 26987 | 0 | None | -1995 | 4 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 536 | 19 | 5 | 7 | 3.8 | CC(C)NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| CHEMBL1187654 | 26987 | 0 | None | -1995 | 4 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 536 | 19 | 5 | 7 | 3.8 | CC(C)NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| 42625588 | 354303 | 0 | None | -630 | 3 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 508 | 18 | 5 | 7 | 2.9 | NS(=O)(=O)Cc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| CHEMBL475237 | 354303 | 0 | None | -630 | 3 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 508 | 18 | 5 | 7 | 2.9 | NS(=O)(=O)Cc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| 10121328 | 18786 | 0 | None | -100 | 3 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 593 | 11 | 5 | 10 | 1.4 | CS(=O)(=O)Nc1cc([C@@H](O)CNCC2CCN(S(=O)(=O)c3ccc(-n4cc(C(=O)O)cn4)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00608-x | ||
| CHEMBL101606 | 18786 | 0 | None | -100 | 3 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 593 | 11 | 5 | 10 | 1.4 | CS(=O)(=O)Nc1cc([C@@H](O)CNCC2CCN(S(=O)(=O)c3ccc(-n4cc(C(=O)O)cn4)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00608-x | ||
| 11575154 | 158852 | 0 | None | -100000 | 2 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 411 | 9 | 4 | 5 | 3.8 | O=C(O)c1ccncc1-c1cccc(NCCNC[C@H](O)c2cccc(Cl)c2)c1 | 10.1021/jm0509445 | ||
| CHEMBL207943 | 158852 | 0 | None | -100000 | 2 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 411 | 9 | 4 | 5 | 3.8 | O=C(O)c1ccncc1-c1cccc(NCCNC[C@H](O)c2cccc(Cl)c2)c1 | 10.1021/jm0509445 | ||
| 44237766 | 121029 | 0 | None | -10000 | 2 | Rat | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 550 | 10 | 6 | 6 | 5.5 | O=C(Nc1cccc(CCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1)Nc1cccc(Oc2ccccc2)c1 | 10.1016/j.bmcl.2010.12.096 | ||
| CHEMBL1682221 | 121029 | 0 | None | -10000 | 2 | Rat | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 550 | 10 | 6 | 6 | 5.5 | O=C(Nc1cccc(CCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1)Nc1cccc(Oc2ccccc2)c1 | 10.1016/j.bmcl.2010.12.096 | ||
| 155517986 | 334765 | 0 | None | -478630 | 2 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 366 | 7 | 4 | 4 | 3.3 | CC(C)(CCc1ccccc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.bmc.2018.10.043 | ||
| CHEMBL4445289 | 334765 | 0 | None | -478630 | 2 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 366 | 7 | 4 | 4 | 3.3 | CC(C)(CCc1ccccc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.bmc.2018.10.043 | ||
| 164622775 | 371762 | 0 | None | -120226 | 2 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 428 | 10 | 4 | 7 | 2.5 | COc1cc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc(OC)c1OC | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028718 | 371762 | 0 | None | -120226 | 2 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 428 | 10 | 4 | 7 | 2.5 | COc1cc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc(OC)c1OC | 10.1016/j.ejmech.2021.113697 | ||
| 44313150 | 213500 | 0 | None | -27 | 3 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 628 | 12 | 6 | 6 | 6.7 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3cccc(CC4NCCc5cc(O)c(O)cc54)c3)c2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| CHEMBL308868 | 213500 | 0 | None | -27 | 3 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 628 | 12 | 6 | 6 | 6.7 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3cccc(CC4NCCc5cc(O)c(O)cc54)c3)c2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| 1960 | 5823 | 49 | None | -741 | 15 | Guinea pig | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
| 439260 | 5823 | 49 | None | -741 | 15 | Guinea pig | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
| 505 | 5823 | 49 | None | -741 | 15 | Guinea pig | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
| 6921840 | 5823 | 49 | None | -741 | 15 | Guinea pig | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
| CHEMBL1437 | 5823 | 49 | None | -741 | 15 | Guinea pig | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
| DB00368 | 5823 | 49 | None | -741 | 15 | Guinea pig | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
| 10301101 | 203010 | 0 | None | -1659 | 2 | Human | 4.0 | pEC50 | = | 4 | Functional | ChEMBL | 509 | 9 | 3 | 6 | 3.5 | COc1ccc(S(=O)(=O)N2CCC(NC[C@H](O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1 | 10.1016/s0960-894x(03)00387-1 | ||
| CHEMBL306423 | 203010 | 0 | None | -1659 | 2 | Human | 4.0 | pEC50 | = | 4 | Functional | ChEMBL | 509 | 9 | 3 | 6 | 3.5 | COc1ccc(S(=O)(=O)N2CCC(NC[C@H](O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1 | 10.1016/s0960-894x(03)00387-1 | ||
| 145984792 | 330598 | 0 | None | -12882 | 3 | Human | 4.0 | pEC50 | = | 4 | Functional | ChEMBL | 461 | 12 | 4 | 5 | 3.1 | CC(=O)NCc1cccc(OC[C@@H](O)CNCCc2ccc(NC(=O)c3ccccc3)cc2)c1 | 10.1016/j.ejmech.2018.03.032 | ||
| CHEMBL4246134 | 330598 | 0 | None | -12882 | 3 | Human | 4.0 | pEC50 | = | 4 | Functional | ChEMBL | 461 | 12 | 4 | 5 | 3.1 | CC(=O)NCc1cccc(OC[C@@H](O)CNCCc2ccc(NC(=O)c3ccccc3)cc2)c1 | 10.1016/j.ejmech.2018.03.032 | ||
| 45483848 | 394234 | 0 | None | None | None | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 394 | 7 | 3 | 3 | 5.3 | CC(C)c1ccc(CC(C)(C)NCC(O)c2cc(Cl)c(N)c(Cl)c2)cc1 | 10.1016/j.bmcl.2009.10.013 | ||
| CHEMBL567843 | 394234 | 0 | None | None | None | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 394 | 7 | 3 | 3 | 5.3 | CC(C)c1ccc(CC(C)(C)NCC(O)c2cc(Cl)c(N)c(Cl)c2)cc1 | 10.1016/j.bmcl.2009.10.013 | ||
| 11567751 | 449377 | 0 | None | -29 | 2 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 374 | 6 | 4 | 5 | 2.5 | CC(C)(Cc1ccc(F)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
| CHEMBL600401 | 449377 | 0 | None | -29 | 2 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 374 | 6 | 4 | 5 | 2.5 | CC(C)(Cc1ccc(F)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
| 10145482 | 18519 | 0 | None | -34 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 604 | 12 | 5 | 7 | 3.4 | O=C(NCc1cc(F)ccc1F)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3ccc(O)cc3)CC2)cc1 | 10.1016/s0960-894x(02)00607-8 | ||
| CHEMBL100057 | 18519 | 0 | None | -34 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 604 | 12 | 5 | 7 | 3.4 | O=C(NCc1cc(F)ccc1F)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3ccc(O)cc3)CC2)cc1 | 10.1016/s0960-894x(02)00607-8 | ||
| 10281165 | 18761 | 0 | None | -16 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 560 | 11 | 5 | 7 | 3.3 | O=C(Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3ccc(O)cc3)CC2)cc1)NC1CCCCC1 | 10.1016/s0960-894x(02)00607-8 | ||
| CHEMBL101485 | 18761 | 0 | None | -16 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 560 | 11 | 5 | 7 | 3.3 | O=C(Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3ccc(O)cc3)CC2)cc1)NC1CCCCC1 | 10.1016/s0960-894x(02)00607-8 | ||
| 11539348 | 449618 | 0 | None | -9 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 434 | 6 | 4 | 5 | 3.1 | CC(C)(Cc1ccc(Br)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
| CHEMBL600616 | 449618 | 0 | None | -9 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 434 | 6 | 4 | 5 | 3.1 | CC(C)(Cc1ccc(Br)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
| 44309649 | 469211 | 0 | None | -186 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 436 | 9 | 3 | 7 | 1.6 | COc1ccc(S(=O)(=O)N2CCC(NC[C@H](O)COc3ccc(O)cc3)CC2)cc1 | 10.1016/s0960-894x(03)00387-1 | ||
| CHEMBL71348 | 469211 | 0 | None | -186 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 436 | 9 | 3 | 7 | 1.6 | COc1ccc(S(=O)(=O)N2CCC(NC[C@H](O)COc3ccc(O)cc3)CC2)cc1 | 10.1016/s0960-894x(03)00387-1 | ||
| 3083544 | 57618 | 28 | None | -138 | 4 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1021/acs.jmedchem.0c01195 | ||
| 4943 | 57618 | 28 | None | -138 | 4 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1021/acs.jmedchem.0c01195 | ||
| CHEMBL1363 | 57618 | 28 | None | -138 | 4 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1021/acs.jmedchem.0c01195 | ||
| DB00983 | 57618 | 28 | None | -138 | 4 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1021/acs.jmedchem.0c01195 | ||
| DB01274 | 57618 | 28 | None | -138 | 4 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1021/acs.jmedchem.0c01195 | ||
| 10280301 | 219297 | 0 | None | -2 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 536 | 12 | 5 | 6 | 3.9 | O=C(NCc1ccc(F)cc1)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
| CHEMBL322973 | 219297 | 0 | None | -2 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 536 | 12 | 5 | 6 | 3.9 | O=C(NCc1ccc(F)cc1)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
| 177640476 | 465211 | 0 | None | -1258 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 306 | 4 | 4 | 5 | 1.7 | O=C1COc2c(C(O)CNC3CCCCC3)ccc(O)c2N1 | 10.1021/acs.jmedchem.3c02074 | ||
| CHEMBL6070078 | 465211 | 0 | None | -1258 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 306 | 4 | 4 | 5 | 1.7 | O=C1COc2c(C(O)CNC3CCCCC3)ccc(O)c2N1 | 10.1021/acs.jmedchem.3c02074 | ||
| 10231394 | 332578 | 0 | None | -190 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 562 | 15 | 5 | 7 | 3.5 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3ccc(O)cc3)CC2)cc1 | 10.1016/s0960-894x(02)00607-8 | ||
| CHEMBL430662 | 332578 | 0 | None | -190 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 562 | 15 | 5 | 7 | 3.5 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3ccc(O)cc3)CC2)cc1 | 10.1016/s0960-894x(02)00607-8 | ||
| 24823782 | 198343 | 0 | None | 3 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 396 | 8 | 3 | 4 | 4.0 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)nc1 | 10.1021/jm701324c | ||
| CHEMBL273097 | 198343 | 0 | None | 3 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 396 | 8 | 3 | 4 | 4.0 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)nc1 | 10.1021/jm701324c | ||
| 45484646 | 394381 | 0 | None | -1 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 456 | 10 | 6 | 7 | 2.0 | CC(C)(Cc1ccc(NC(=O)CCCN)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.06.104 | ||
| CHEMBL568667 | 394381 | 0 | None | -1 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 456 | 10 | 6 | 7 | 2.0 | CC(C)(Cc1ccc(NC(=O)CCCN)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.06.104 | ||
| 24894323 | 350425 | 0 | None | -52 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 468 | 12 | 4 | 5 | 5.2 | CCCOc1cc(-c2ccc(NCCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL459645 | 350425 | 0 | None | -52 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 468 | 12 | 4 | 5 | 5.2 | CCCOc1cc(-c2ccc(NCCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 155536813 | 336730 | 0 | None | -263 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 368 | 8 | 4 | 5 | 2.5 | COc1ccccc1CCCNCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.bmc.2018.10.043 | ||
| CHEMBL4473790 | 336730 | 0 | None | -263 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 368 | 8 | 4 | 5 | 2.5 | COc1ccccc1CCCNCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.bmc.2018.10.043 | ||
| 45270680 | 389583 | 0 | None | 5 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 421 | 10 | 4 | 4 | 4.1 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccccc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL549421 | 389583 | 0 | None | 5 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 421 | 10 | 4 | 4 | 4.1 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccccc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| 45269853 | 393541 | 0 | None | -4 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 426 | 11 | 3 | 5 | 3.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1)c1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL563872 | 393541 | 0 | None | -4 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 426 | 11 | 3 | 5 | 3.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1)c1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| 52943968 | 41662 | 0 | None | 1 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 518 | 9 | 4 | 8 | 3.8 | NC(=O)Nc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258824 | 41662 | 0 | None | 1 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 518 | 9 | 4 | 8 | 3.8 | NC(=O)Nc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | ||
| 16222840 | 391658 | 0 | None | -316 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 566 | 11 | 4 | 7 | 4.7 | C[C@H](NCCc1ccc(-c2ccc(C(=O)NS(C)(=O)=O)c(OC3CCCCC3)c2)cc1)[C@H](O)c1ccc(O)cc1 | 10.1016/j.bmcl.2009.06.083 | ||
| CHEMBL557253 | 391658 | 0 | None | -316 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 566 | 11 | 4 | 7 | 4.7 | C[C@H](NCCc1ccc(-c2ccc(C(=O)NS(C)(=O)=O)c(OC3CCCCC3)c2)cc1)[C@H](O)c1ccc(O)cc1 | 10.1016/j.bmcl.2009.06.083 | ||
| 24895559 | 347214 | 0 | None | -338 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 483 | 12 | 3 | 5 | 5.4 | CC(C)COc1cc(-c2ccc(OCCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL452034 | 347214 | 0 | None | -338 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 483 | 12 | 3 | 5 | 5.4 | CC(C)COc1cc(-c2ccc(OCCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 105 | 7039 | 60 | None | -4 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/acs.jmedchem.0c01195 | ||
| 2083 | 7039 | 60 | None | -4 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/acs.jmedchem.0c01195 | ||
| 558 | 7039 | 60 | None | -4 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/acs.jmedchem.0c01195 | ||
| CHEMBL714 | 7039 | 60 | None | -4 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/acs.jmedchem.0c01195 | ||
| DB01001 | 7039 | 60 | None | -4 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/acs.jmedchem.0c01195 | ||
| 44377726 | 119616 | 0 | None | -389 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 550 | 10 | 5 | 10 | 1.6 | CS(=O)(=O)Nc1cc(O[C@@H](O)CNC2CCN(c3ccc(CC4SC(=O)NC4=O)cc3)CC2)ccc1O | 10.1016/s0960-894x(01)00063-4 | ||
| CHEMBL164378 | 119616 | 0 | None | -389 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 550 | 10 | 5 | 10 | 1.6 | CS(=O)(=O)Nc1cc(O[C@@H](O)CNC2CCN(c3ccc(CC4SC(=O)NC4=O)cc3)CC2)ccc1O | 10.1016/s0960-894x(01)00063-4 | ||
| 1499 | 4274 | 42 | None | 2 | 31 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2009.06.031 | ||
| 3779 | 4274 | 42 | None | 2 | 31 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2009.06.031 | ||
| 536 | 4274 | 42 | None | 2 | 31 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL434 | 4274 | 42 | None | 2 | 31 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2009.06.031 | ||
| DB01064 | 4274 | 42 | None | 2 | 31 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2009.06.031 | ||
| 1499 | 4274 | 42 | None | 2 | 31 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.ejmech.2009.01.022 | ||
| 3779 | 4274 | 42 | None | 2 | 31 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.ejmech.2009.01.022 | ||
| 536 | 4274 | 42 | None | 2 | 31 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.ejmech.2009.01.022 | ||
| CHEMBL434 | 4274 | 42 | None | 2 | 31 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.ejmech.2009.01.022 | ||
| DB01064 | 4274 | 42 | None | 2 | 31 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.ejmech.2009.01.022 | ||
| 16223251 | 350426 | 0 | None | -204 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 449 | 11 | 4 | 6 | 3.9 | CC(C)Cc1cc(-c2ccc(OCCNC[C@H](O)c3ccc(N)nc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL459646 | 350426 | 0 | None | -204 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 449 | 11 | 4 | 6 | 3.9 | CC(C)Cc1cc(-c2ccc(OCCNC[C@H](O)c3ccc(N)nc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 24895787 | 369958 | 0 | None | -1 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 409 | 8 | 3 | 3 | 5.0 | C[C@@H](Cc1ccc(-c2ccc(C(=O)O)cc2)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm8000345 | ||
| CHEMBL488431 | 369958 | 0 | None | -1 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 409 | 8 | 3 | 3 | 5.0 | C[C@@H](Cc1ccc(-c2ccc(C(=O)O)cc2)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm8000345 | ||
| 44309272 | 468855 | 0 | None | -2 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 611 | 14 | 6 | 8 | 2.9 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1 | 10.1016/s0960-894x(03)00387-1 | ||
| CHEMBL68766 | 468855 | 0 | None | -2 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 611 | 14 | 6 | 8 | 2.9 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1 | 10.1016/s0960-894x(03)00387-1 | ||
| 44392181 | 138365 | 0 | None | -10 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 465 | 12 | 5 | 6 | 3.3 | COc1ccccc1NC(=O)Nc1ccc(C[C@@H](CO)NC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmcl.2004.11.001 | ||
| CHEMBL183744 | 138365 | 0 | None | -10 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 465 | 12 | 5 | 6 | 3.3 | COc1ccccc1NC(=O)Nc1ccc(C[C@@H](CO)NC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmcl.2004.11.001 | ||
| 44441230 | 194204 | 0 | None | -7 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 431 | 9 | 4 | 6 | 4.3 | C[C@H](CNc1ccc(-c2csc(C(=O)O)n2)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| CHEMBL247518 | 194204 | 0 | None | -7 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 431 | 9 | 4 | 6 | 4.3 | C[C@H](CNc1ccc(-c2csc(C(=O)O)n2)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| 2687 | 7894 | 12 | None | 162 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 10.1021/jm400348g | ||
| 5387 | 7894 | 12 | None | 162 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 10.1021/jm400348g | ||
| CHEMBL420746 | 7894 | 12 | None | 162 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 10.1021/jm400348g | ||
| 44441226 | 194085 | 0 | None | 1 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 415 | 9 | 4 | 6 | 3.8 | C[C@H](CNc1ccc(-c2nc(C(=O)O)co2)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| CHEMBL246908 | 194085 | 0 | None | 1 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 415 | 9 | 4 | 6 | 3.8 | C[C@H](CNc1ccc(-c2nc(C(=O)O)co2)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| 1239 | 3447 | 41 | None | -67 | 5 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.095 | ||
| 3410 | 3447 | 41 | None | -67 | 5 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.095 | ||
| 3465 | 3447 | 41 | None | -67 | 5 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL1256786 | 3447 | 41 | None | -67 | 5 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.095 | ||
| DB00983 | 3447 | 41 | None | -67 | 5 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.095 | ||
| 90645345 | 221963 | 0 | None | -11 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 574 | 12 | 6 | 8 | 4.7 | CC(C)(C)OC(=O)NCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298692 | 221963 | 0 | None | -11 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 574 | 12 | 6 | 8 | 4.7 | CC(C)(C)OC(=O)NCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| 56943485 | 221987 | 0 | None | -12 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 544 | 12 | 5 | 8 | 3.6 | O=c1ccc2c([C@@H](O)CNCCc3ccc(Nc4ccc(OCCN5CCOCC5)cc4)cc3)ccc(O)c2[nH]1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298831 | 221987 | 0 | None | -12 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 544 | 12 | 5 | 8 | 3.6 | O=c1ccc2c([C@@H](O)CNCCc3ccc(Nc4ccc(OCCN5CCOCC5)cc4)cc3)ccc(O)c2[nH]1 | 10.1016/j.bmcl.2014.04.095 | ||
| 46832798 | 38120 | 1 | None | -31 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc([C@@H](O)CNCCCCCCOCCOCc2cc(Cl)ccc2Cl)ccc1O | 10.1021/jm100326d | ||
| CHEMBL1198879 | 38120 | 1 | None | -31 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc([C@@H](O)CNCCCCCCOCCOCc2cc(Cl)ccc2Cl)ccc1O | 10.1021/jm100326d | ||
| 46832509 | 38129 | 0 | None | -50 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 510 | 18 | 5 | 8 | 2.7 | CS(=O)(=O)Nc1cccc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm100326d | ||
| CHEMBL1198908 | 38129 | 0 | None | -50 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 510 | 18 | 5 | 8 | 2.7 | CS(=O)(=O)Nc1cccc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm100326d | ||
| 46832232 | 38132 | 0 | None | -100 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 467 | 16 | 4 | 6 | 4.5 | OCc1cc([C@@H](O)CNCCCCCCOCCOCc2cccc3ccccc23)ccc1O | 10.1021/jm100326d | ||
| CHEMBL1198923 | 38132 | 0 | None | -100 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 467 | 16 | 4 | 6 | 4.5 | OCc1cc([C@@H](O)CNCCCCCCOCCOCc2cccc3ccccc23)ccc1O | 10.1021/jm100326d | ||
| 1239 | 3447 | 41 | None | -67 | 5 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.069 | ||
| 3410 | 3447 | 41 | None | -67 | 5 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.069 | ||
| 3465 | 3447 | 41 | None | -67 | 5 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL1256786 | 3447 | 41 | None | -67 | 5 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.069 | ||
| DB00983 | 3447 | 41 | None | -67 | 5 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.069 | ||
| 24895557 | 347213 | 0 | None | -575 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 469 | 12 | 3 | 5 | 5.2 | CCCOc1cc(-c2ccc(OCCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL452033 | 347213 | 0 | None | -575 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 469 | 12 | 3 | 5 | 5.2 | CCCOc1cc(-c2ccc(OCCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 44392490 | 137543 | 0 | None | -1 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 507 | 10 | 4 | 6 | 4.0 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NC(=O)c2ccccc2)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| CHEMBL182708 | 137543 | 0 | None | -1 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 507 | 10 | 4 | 6 | 4.0 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NC(=O)c2ccccc2)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| 44268327 | 198581 | 0 | None | 1 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 448 | 11 | 4 | 6 | 3.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)C1CCCCC1 | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL274807 | 198581 | 0 | None | 1 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 448 | 11 | 4 | 6 | 3.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)C1CCCCC1 | 10.1016/s0960-894x(98)00169-3 | ||
| 10575455 | 200158 | 1 | None | -60 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 448 | 8 | 5 | 7 | 1.2 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(C(N)=O)cc3)CC2)ccc1O | 10.1021/jm000544b | ||
| CHEMBL286574 | 200158 | 1 | None | -60 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 448 | 8 | 5 | 7 | 1.2 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(C(N)=O)cc3)CC2)ccc1O | 10.1021/jm000544b | ||
| 11504295 | 5953 | 40 | None | -870 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | 10.1016/j.ejmech.2021.113697 | ||
| 4814 | 5953 | 40 | None | -870 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | 10.1016/j.ejmech.2021.113697 | ||
| 7543 | 5953 | 40 | None | -870 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL605846 | 5953 | 40 | None | -870 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | 10.1016/j.ejmech.2021.113697 | ||
| DB09080 | 5953 | 40 | None | -870 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | 10.1016/j.ejmech.2021.113697 | ||
| 145982668 | 330776 | 0 | None | -15 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 418 | 11 | 3 | 4 | 4.1 | CCc1ccccc1OC[C@@H](O)CNCCc1ccc(NC(=O)c2ccccc2)cc1 | 10.1016/j.ejmech.2018.03.032 | ||
| CHEMBL4250215 | 330776 | 0 | None | -15 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 418 | 11 | 3 | 4 | 4.1 | CCc1ccccc1OC[C@@H](O)CNCCc1ccc(NC(=O)c2ccccc2)cc1 | 10.1016/j.ejmech.2018.03.032 | ||
| 2419 | 7043 | 56 | None | -1445 | 5 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2018.10.043 | ||
| 5152 | 7043 | 56 | None | -1445 | 5 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2018.10.043 | ||
| 559 | 7043 | 56 | None | -1445 | 5 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2018.10.043 | ||
| CHEMBL1263 | 7043 | 56 | None | -1445 | 5 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2018.10.043 | ||
| DB00938 | 7043 | 56 | None | -1445 | 5 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2018.10.043 | ||
| 53357711 | 136815 | 0 | None | -125 | 4 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 531 | 19 | 7 | 7 | 3.3 | O=C(O)CNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1814279 | 136815 | 0 | None | -125 | 4 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 531 | 19 | 7 | 7 | 3.3 | O=C(O)CNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.05.064 | ||
| 56675511 | 138701 | 0 | None | -100 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 527 | 18 | 5 | 7 | 3.2 | O=C1CNC(=O)N1Cc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1851850 | 138701 | 0 | None | -100 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 527 | 18 | 5 | 7 | 3.2 | O=C1CNC(=O)N1Cc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.05.064 | ||
| 42625587 | 26966 | 0 | None | -125 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 562 | 18 | 4 | 7 | 4.3 | O=S(=O)(c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)N1CCCCC1 | 10.1021/jm801016j | ||
| CHEMBL1187520 | 26966 | 0 | None | -125 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 562 | 18 | 4 | 7 | 4.3 | O=S(=O)(c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)N1CCCCC1 | 10.1021/jm801016j | ||
| 9845280 | 158958 | 0 | None | -7 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 424 | 9 | 3 | 5 | 4.5 | COC(=O)c1cccc(-c2cccc(NCCNC[C@H](O)c3cccc(Cl)c3)c2)c1 | 10.1021/jm0509445 | ||
| CHEMBL208352 | 158958 | 0 | None | -7 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 424 | 9 | 3 | 5 | 4.5 | COC(=O)c1cccc(-c2cccc(NCCNC[C@H](O)c3cccc(Cl)c3)c2)c1 | 10.1021/jm0509445 | ||
| 23661589 | 193840 | 0 | None | -19952 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 430 | 9 | 4 | 5 | 4.9 | C[C@H](CNc1cccc(-c2sccc2C(=O)O)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| CHEMBL245873 | 193840 | 0 | None | -19952 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 430 | 9 | 4 | 5 | 4.9 | C[C@H](CNc1cccc(-c2sccc2C(=O)O)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| 10289065 | 26813 | 0 | None | -501 | 4 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCOCCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| 42625898 | 26813 | 0 | None | -501 | 4 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCOCCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| CHEMBL1186683 | 26813 | 0 | None | -501 | 4 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCOCCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| CHEMBL485847 | 26813 | 0 | None | -501 | 4 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCOCCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| 42625741 | 26867 | 0 | None | -158 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCCOCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| CHEMBL1186940 | 26867 | 0 | None | -158 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCCOCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| 145983711 | 330265 | 0 | None | -2691 | 3 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 476 | 12 | 5 | 5 | 3.5 | CC(=O)NCc1cccc(OC[C@@H](O)CNCCc2ccc(NC(=O)Nc3ccccc3)cc2)c1 | 10.1016/j.ejmech.2018.03.032 | ||
| CHEMBL4237802 | 330265 | 0 | None | -2691 | 3 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 476 | 12 | 5 | 5 | 3.5 | CC(=O)NCc1cccc(OC[C@@H](O)CNCCc2ccc(NC(=O)Nc3ccccc3)cc2)c1 | 10.1016/j.ejmech.2018.03.032 | ||
| 24895265 | 369957 | 0 | None | -70 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 409 | 8 | 3 | 3 | 5.0 | C[C@H](Cc1ccc(-c2ccc(C(=O)O)cc2)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm8000345 | ||
| CHEMBL488430 | 369957 | 0 | None | -70 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 409 | 8 | 3 | 3 | 5.0 | C[C@H](Cc1ccc(-c2ccc(C(=O)O)cc2)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm8000345 | ||
| 44392552 | 136843 | 0 | None | -23 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 543 | 11 | 4 | 7 | 3.6 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2ccccc2)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| CHEMBL181440 | 136843 | 0 | None | -23 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 543 | 11 | 4 | 7 | 3.6 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2ccccc2)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| 155564340 | 349426 | 0 | None | -263 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 493 | 11 | 5 | 5 | 4.9 | CC(CC(=O)Nc1cccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1)CC(C)(C)C | 10.1016/j.bmc.2018.10.043 | ||
| CHEMBL4576089 | 349426 | 0 | None | -263 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 493 | 11 | 5 | 5 | 4.9 | CC(CC(=O)Nc1cccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1)CC(C)(C)C | 10.1016/j.bmc.2018.10.043 | ||
| 44574826 | 352511 | 0 | None | 2 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 484 | 13 | 3 | 6 | 3.7 | O=C(Cc1cn(Cc2ccccc2)cn1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
| CHEMBL467301 | 352511 | 0 | None | 2 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 484 | 13 | 3 | 6 | 3.7 | O=C(Cc1cn(Cc2ccccc2)cn1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
| 45270697 | 389914 | 0 | None | -20 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 451 | 11 | 4 | 5 | 4.1 | COc1ccccc1NC(=S)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL550444 | 389914 | 0 | None | -20 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 451 | 11 | 4 | 5 | 4.1 | COc1ccccc1NC(=S)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| 44580039 | 370207 | 0 | None | -15 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 530 | 11 | 4 | 5 | 5.9 | O=C(Nc1ccc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc1C(=O)O)c1ccccc1 | 10.1016/j.bmcl.2008.08.009 | ||
| CHEMBL490222 | 370207 | 0 | None | -15 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 530 | 11 | 4 | 5 | 5.9 | O=C(Nc1ccc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc1C(=O)O)c1ccccc1 | 10.1016/j.bmcl.2008.08.009 | ||
| 45271036 | 389990 | 0 | None | -2951 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 526 | 11 | 4 | 7 | 3.8 | CC(C)Oc1cc(-c2ccc(CCN[C@@H](C)[C@H](O)c3cccc(O)c3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1016/j.bmcl.2009.06.083 | ||
| CHEMBL550871 | 389990 | 0 | None | -2951 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 526 | 11 | 4 | 7 | 3.8 | CC(C)Oc1cc(-c2ccc(CCN[C@@H](C)[C@H](O)c3cccc(O)c3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1016/j.bmcl.2009.06.083 | ||
| 24895363 | 347683 | 0 | None | -3162 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 447 | 11 | 3 | 4 | 5.3 | CC(C)COc1cc(-c2ccc(C[C@@H](C)NC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL453322 | 347683 | 0 | None | -3162 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 447 | 11 | 3 | 4 | 5.3 | CC(C)COc1cc(-c2ccc(C[C@@H](C)NC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 24895261 | 369929 | 0 | None | -676 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 435 | 10 | 4 | 6 | 3.7 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3ccc(N)nc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL488223 | 369929 | 0 | None | -676 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 435 | 10 | 4 | 6 | 3.7 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3ccc(N)nc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 42639967 | 26780 | 0 | None | -128 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 497 | 11 | 3 | 7 | 3.1 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| CHEMBL1186557 | 26780 | 0 | None | -128 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 497 | 11 | 3 | 7 | 3.1 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| 44591506 | 353225 | 0 | None | -676 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 435 | 10 | 4 | 6 | 3.7 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cnccc3N)cc2)ccc1C(=O)O | 10.1021/jm9000709 | ||
| CHEMBL473495 | 353225 | 0 | None | -676 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 435 | 10 | 4 | 6 | 3.7 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cnccc3N)cc2)ccc1C(=O)O | 10.1021/jm9000709 | ||
| 11152564 | 200194 | 0 | None | -4 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 358 | 7 | 3 | 3 | 4.1 | COc1cccc2c(C[C@H](C)NC[C@H](O)c3cccc(Cl)c3)c[nH]c12 | 10.1016/s0960-894x(03)00073-8 | ||
| CHEMBL286818 | 200194 | 0 | None | -4 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 358 | 7 | 3 | 3 | 4.1 | COc1cccc2c(C[C@H](C)NC[C@H](O)c3cccc(Cl)c3)c[nH]c12 | 10.1016/s0960-894x(03)00073-8 | ||
| 44574651 | 352430 | 0 | None | None | None | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 444 | 11 | 4 | 5 | 3.3 | O=C(Cc1ccccn1)Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]ccc23)cc1 | 10.1016/j.bmc.2009.03.044 | ||
| CHEMBL466704 | 352430 | 0 | None | None | None | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 444 | 11 | 4 | 5 | 3.3 | O=C(Cc1ccccn1)Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]ccc23)cc1 | 10.1016/j.bmc.2009.03.044 | ||
| 213051 | 183387 | 0 | None | -4 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 402 | 9 | 4 | 4 | 3.5 | C[C@@H](Cc1c[nH]c2c(OCC(=O)O)cccc12)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
| CHEMBL24350 | 183387 | 0 | None | -4 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 402 | 9 | 4 | 4 | 3.5 | C[C@@H](Cc1c[nH]c2c(OCC(=O)O)cccc12)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
| 2723 | 123170 | 6 | None | -8 | 5 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 345 | 5 | 3 | 6 | 2.6 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | 10.1016/s0960-894x(00)00459-5 | ||
| 65772 | 123170 | 6 | None | -8 | 5 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 345 | 5 | 3 | 6 | 2.6 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | 10.1016/s0960-894x(00)00459-5 | ||
| CHEMBL174984 | 123170 | 6 | None | -8 | 5 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 345 | 5 | 3 | 6 | 2.6 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | 10.1016/s0960-894x(00)00459-5 | ||
| DB13692 | 123170 | 6 | None | -8 | 5 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 345 | 5 | 3 | 6 | 2.6 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | 10.1016/s0960-894x(00)00459-5 | ||
| 177640872 | 465182 | 0 | None | -457 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 266 | 5 | 4 | 5 | 0.8 | CCCNCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1021/acs.jmedchem.3c02074 | ||
| CHEMBL6069823 | 465182 | 0 | None | -457 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 266 | 5 | 4 | 5 | 0.8 | CCCNCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1021/acs.jmedchem.3c02074 | ||
| 164623433 | 371770 | 0 | None | -380 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 352 | 7 | 4 | 4 | 2.8 | Cc1cccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028756 | 371770 | 0 | None | -380 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 352 | 7 | 4 | 4 | 2.8 | Cc1cccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.ejmech.2021.113697 | ||
| 9804536 | 330568 | 0 | None | -7 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 465 | 11 | 4 | 5 | 3.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]ccc23)cc1)c1ccccc1 | 10.1016/j.ejmech.2018.03.032 | ||
| CHEMBL4245391 | 330568 | 0 | None | -7 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 465 | 11 | 4 | 5 | 3.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]ccc23)cc1)c1ccccc1 | 10.1016/j.ejmech.2018.03.032 | ||
| 44574825 | 352509 | 0 | None | None | None | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 534 | 13 | 3 | 6 | 4.8 | O=C(Cc1nc2ccccc2n1Cc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
| CHEMBL467298 | 352509 | 0 | None | None | None | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 534 | 13 | 3 | 6 | 4.8 | O=C(Cc1nc2ccccc2n1Cc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
| 45273276 | 391327 | 0 | None | -2 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 429 | 10 | 4 | 5 | 3.6 | N#C/N=C(\Nc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL556689 | 391327 | 0 | None | -2 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 429 | 10 | 4 | 5 | 3.6 | N#C/N=C(\Nc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| 44579966 | 385169 | 0 | None | -15 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 429 | 9 | 3 | 4 | 4.8 | O=C(O)c1cc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)ccc1F | 10.1016/j.bmcl.2008.08.009 | ||
| CHEMBL521611 | 385169 | 0 | None | -15 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 429 | 9 | 3 | 4 | 4.8 | O=C(O)c1cc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)ccc1F | 10.1016/j.bmcl.2008.08.009 | ||
| 24949572 | 350980 | 0 | None | -34 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 438 | 7 | 3 | 5 | 4.4 | O=C(O)c1cccc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)nc2)CC3)c1 | 10.1021/jm800222k | ||
| CHEMBL463182 | 350980 | 0 | None | -34 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 438 | 7 | 3 | 5 | 4.4 | O=C(O)c1cccc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)nc2)CC3)c1 | 10.1021/jm800222k | ||
| 44565931 | 26713 | 0 | None | -4677 | 4 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 552 | 11 | 4 | 8 | 3.6 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3cnccc3N)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
| CHEMBL1186040 | 26713 | 0 | None | -4677 | 4 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 552 | 11 | 4 | 8 | 3.6 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3cnccc3N)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
| 11381882 | 199514 | 0 | None | 2 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 328 | 6 | 3 | 2 | 4.1 | C[C@@H](Cc1c[nH]c2ccccc12)NC[C@@H](O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
| CHEMBL282039 | 199514 | 0 | None | 2 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 328 | 6 | 3 | 2 | 4.1 | C[C@@H](Cc1c[nH]c2ccccc12)NC[C@@H](O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
| 155515718 | 334526 | 0 | None | -2884 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 423 | 9 | 5 | 5 | 3.1 | CC(C)C(=O)Nc1ccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1016/j.bmc.2018.10.043 | ||
| CHEMBL4441752 | 334526 | 0 | None | -2884 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 423 | 9 | 5 | 5 | 3.1 | CC(C)C(=O)Nc1ccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1016/j.bmc.2018.10.043 | ||
| 24894317 | 347784 | 0 | None | -22 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 467 | 11 | 3 | 4 | 5.6 | CC(C)Cc1cc(-c2ccc(OCCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL453575 | 347784 | 0 | None | -22 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 467 | 11 | 3 | 4 | 5.6 | CC(C)Cc1cc(-c2ccc(OCCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 44392228 | 137176 | 0 | None | -7 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 441 | 11 | 5 | 5 | 3.1 | O=C(Nc1ccc(C[C@@H](CO)NC[C@H](O)COc2ccccc2)cc1)NC1CCCCC1 | 10.1016/j.bmcl.2004.11.001 | ||
| CHEMBL182127 | 137176 | 0 | None | -7 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 441 | 11 | 5 | 5 | 3.1 | O=C(Nc1ccc(C[C@@H](CO)NC[C@H](O)COc2ccccc2)cc1)NC1CCCCC1 | 10.1016/j.bmcl.2004.11.001 | ||
| 1028 | 599 | 43 | None | -21 | 11 | Guinea pig | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
| 479 | 599 | 43 | None | -21 | 11 | Guinea pig | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
| 5816 | 599 | 43 | None | -21 | 11 | Guinea pig | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
| CHEMBL679 | 599 | 43 | None | -21 | 11 | Guinea pig | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
| DB00668 | 599 | 43 | None | -21 | 11 | Guinea pig | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
| 155524038 | 335436 | 0 | None | -120 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 414 | 8 | 4 | 4 | 4.2 | O=c1ccc2c(C(O)CNCCCc3ccc(-c4ccccc4)cc3)ccc(O)c2[nH]1 | 10.1016/j.bmc.2018.10.043 | ||
| CHEMBL4454489 | 335436 | 0 | None | -120 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 414 | 8 | 4 | 4 | 4.2 | O=c1ccc2c(C(O)CNCCCc3ccc(-c4ccccc4)cc3)ccc(O)c2[nH]1 | 10.1016/j.bmc.2018.10.043 | ||
| 155550544 | 348365 | 0 | None | -1 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 388 | 7 | 4 | 4 | 3.6 | O=c1ccc2c(C(O)CNCCCc3ccc4ccccc4c3)ccc(O)c2[nH]1 | 10.1016/j.bmc.2018.10.043 | ||
| CHEMBL4550290 | 348365 | 0 | None | -1 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 388 | 7 | 4 | 4 | 3.6 | O=c1ccc2c(C(O)CNCCCc3ccc4ccccc4c3)ccc(O)c2[nH]1 | 10.1016/j.bmc.2018.10.043 | ||
| 44126933 | 392761 | 0 | None | 1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 470 | 11 | 4 | 5 | 4.3 | O=C(Cc1ccc2ccccc2c1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| CHEMBL561291 | 392761 | 0 | None | 1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 470 | 11 | 4 | 5 | 4.3 | O=C(Cc1ccc2ccccc2c1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| 45268516 | 392924 | 0 | None | -588 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 605 | 13 | 5 | 9 | 2.8 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1016/j.bmcl.2009.06.083 | ||
| CHEMBL561743 | 392924 | 0 | None | -588 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 605 | 13 | 5 | 9 | 2.8 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1016/j.bmcl.2009.06.083 | ||
| 16222940 | 369742 | 0 | None | -2290 | 4 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 433 | 10 | 4 | 5 | 4.1 | CC(C)Cc1cc(-c2ccc(CCNC[C@H](O)c3ccc(N)nc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL487682 | 369742 | 0 | None | -2290 | 4 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 433 | 10 | 4 | 5 | 4.1 | CC(C)Cc1cc(-c2ccc(CCNC[C@H](O)c3ccc(N)nc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 24895259 | 372432 | 0 | None | -588 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 528 | 12 | 5 | 7 | 3.8 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL512147 | 372432 | 0 | None | -588 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 528 | 12 | 5 | 7 | 3.8 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 44591507 | 353251 | 0 | None | -2290 | 4 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 433 | 10 | 4 | 5 | 4.1 | CC(C)Cc1cc(-c2ccc(CCNC[C@H](O)c3cnccc3N)cc2)ccc1C(=O)O | 10.1021/jm9000709 | ||
| CHEMBL473702 | 353251 | 0 | None | -2290 | 4 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 433 | 10 | 4 | 5 | 4.1 | CC(C)Cc1cc(-c2ccc(CCNC[C@H](O)c3cnccc3N)cc2)ccc1C(=O)O | 10.1021/jm9000709 | ||
| 9842600 | 371336 | 0 | None | -38 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 375 | 7 | 3 | 4 | 3.0 | O=C(O)COc1ccc2c(c1)C[C@@H](NC[C@H](O)c1cccc(Cl)c1)CC2 | 10.1021/jm800222k | ||
| CHEMBL498305 | 371336 | 0 | None | -38 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 375 | 7 | 3 | 4 | 3.0 | O=C(O)COc1ccc2c(c1)C[C@@H](NC[C@H](O)c1cccc(Cl)c1)CC2 | 10.1021/jm800222k | ||
| 44377535 | 118244 | 0 | None | -117 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 508 | 8 | 4 | 9 | 2.8 | O=C1NC(=O)C(Cc2ccc(N3CCC(NC[C@H](O)Oc4cccc5nc(O)ccc45)CC3)cc2)S1 | 10.1016/s0960-894x(01)00063-4 | ||
| CHEMBL161949 | 118244 | 0 | None | -117 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 508 | 8 | 4 | 9 | 2.8 | O=C1NC(=O)C(Cc2ccc(N3CCC(NC[C@H](O)Oc4cccc5nc(O)ccc45)CC3)cc2)S1 | 10.1016/s0960-894x(01)00063-4 | ||
| 56673609 | 136435 | 0 | None | -199 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 499 | 13 | 5 | 7 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCOCCNCCc3cccc(Cl)c3Cl)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
| CHEMBL1807873 | 136435 | 0 | None | -199 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 499 | 13 | 5 | 7 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCOCCNCCc3cccc(Cl)c3Cl)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
| 56672116 | 138657 | 0 | None | -630 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 570 | 19 | 5 | 8 | 2.4 | NC(=O)CN1C(=O)CN(c2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)C1=O | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1851624 | 138657 | 0 | None | -630 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 570 | 19 | 5 | 8 | 2.4 | NC(=O)CN1C(=O)CN(c2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)C1=O | 10.1016/j.bmc.2011.05.064 | ||
| 44441227 | 294740 | 0 | None | -10 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 415 | 9 | 4 | 6 | 3.8 | C[C@H](CNc1cccc(-c2nc(C(=O)O)co2)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| CHEMBL393469 | 294740 | 0 | None | -10 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 415 | 9 | 4 | 6 | 3.8 | C[C@H](CNc1cccc(-c2nc(C(=O)O)co2)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| 145981079 | 331496 | 0 | None | -39 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 358 | 6 | 4 | 4 | 2.8 | O=c1ccc2c(C(CO)NCCc3ccc(Cl)cc3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2018.04.041 | ||
| CHEMBL4282047 | 331496 | 0 | None | -39 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 358 | 6 | 4 | 4 | 2.8 | O=c1ccc2c(C(CO)NCCc3ccc(Cl)cc3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2018.04.041 | ||
| 164626310 | 371791 | 0 | None | -346 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 356 | 7 | 4 | 4 | 2.6 | O=c1ccc2c(C(O)CNCCCc3ccc(F)cc3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028930 | 371791 | 0 | None | -346 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 356 | 7 | 4 | 4 | 2.6 | O=c1ccc2c(C(O)CNCCCc3ccc(F)cc3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2021.113697 | ||
| 177640957 | 465242 | 0 | None | -645 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 280 | 6 | 4 | 5 | 1.1 | CCCCNCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1021/acs.jmedchem.3c02074 | ||
| CHEMBL6070260 | 465242 | 0 | None | -645 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 280 | 6 | 4 | 5 | 1.1 | CCCCNCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1021/acs.jmedchem.3c02074 | ||
| 164614249 | 371698 | 0 | None | -295 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 352 | 7 | 4 | 4 | 2.8 | Cc1ccccc1CCCNCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028241 | 371698 | 0 | None | -295 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 352 | 7 | 4 | 4 | 2.8 | Cc1ccccc1CCCNCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| 24949889 | 371374 | 0 | None | -35 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 451 | 7 | 3 | 4 | 5.4 | O=C(O)c1cccc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CCC3)c1 | 10.1021/jm800222k | ||
| CHEMBL498531 | 371374 | 0 | None | -35 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 451 | 7 | 3 | 4 | 5.4 | O=C(O)c1cccc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CCC3)c1 | 10.1021/jm800222k | ||
| 42639311 | 26792 | 0 | None | -56 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 524 | 14 | 3 | 6 | 4.5 | CCCCCOc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| CHEMBL1186600 | 26792 | 0 | None | -56 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 524 | 14 | 3 | 6 | 4.5 | CCCCCOc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| 44392558 | 137555 | 0 | None | -2 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 471 | 11 | 4 | 6 | 4.1 | CC(C)=CCNc1cccc([C@@H](O)CN[C@H](C)Cc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| CHEMBL182770 | 137555 | 0 | None | -2 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 471 | 11 | 4 | 6 | 4.1 | CC(C)=CCNc1cccc([C@@H](O)CN[C@H](C)Cc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| 44237669 | 121025 | 0 | None | -7943 | 2 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 540 | 9 | 6 | 5 | 4.7 | O=C(NCc1c(Cl)cccc1Cl)Nc1cccc(CCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.bmcl.2010.12.096 | ||
| CHEMBL1682217 | 121025 | 0 | None | -7943 | 2 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 540 | 9 | 6 | 5 | 4.7 | O=C(NCc1c(Cl)cccc1Cl)Nc1cccc(CCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.bmcl.2010.12.096 | ||
| 9933039 | 328052 | 0 | None | -28 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 442 | 11 | 4 | 6 | 2.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL417613 | 328052 | 0 | None | -28 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 442 | 11 | 4 | 6 | 2.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| 9933039 | 328052 | 0 | None | -28 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 442 | 11 | 4 | 6 | 2.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccccc1 | 10.1016/j.ejmech.2009.01.022 | ||
| CHEMBL417613 | 328052 | 0 | None | -28 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 442 | 11 | 4 | 6 | 2.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccccc1 | 10.1016/j.ejmech.2009.01.022 | ||
| 44309523 | 202279 | 0 | None | -52 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 420 | 10 | 3 | 6 | 2.3 | CCCCOc1ccc(S(=O)(=O)N2CC(NC[C@H](O)c3ccc(O)cc3)C2)cc1 | 10.1016/s0960-894x(03)00387-1 | ||
| CHEMBL302803 | 202279 | 0 | None | -52 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 420 | 10 | 3 | 6 | 2.3 | CCCCOc1ccc(S(=O)(=O)N2CC(NC[C@H](O)c3ccc(O)cc3)C2)cc1 | 10.1016/s0960-894x(03)00387-1 | ||
| 10601234 | 221495 | 0 | None | -23 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 493 | 11 | 5 | 8 | 1.7 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(COCC(=O)O)cc3)CC2)ccc1O | 10.1021/jm000544b | ||
| CHEMBL32888 | 221495 | 0 | None | -23 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 493 | 11 | 5 | 8 | 1.7 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(COCC(=O)O)cc3)CC2)ccc1O | 10.1021/jm000544b | ||
| 10140889 | 20396 | 0 | None | -4 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 484 | 12 | 4 | 6 | 3.3 | CCN(CC)C(=O)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
| CHEMBL108061 | 20396 | 0 | None | -4 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 484 | 12 | 4 | 6 | 3.3 | CCN(CC)C(=O)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
| 44574978 | 372426 | 0 | None | -1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 524 | 12 | 2 | 6 | 4.0 | O=C(Cc1nccn1Cc1ccccc1)N1CCCc2cc(CCNC[C@H](O)COc3ccccc3)ccc21 | 10.1016/j.bmc.2009.03.044 | ||
| CHEMBL512099 | 372426 | 0 | None | -1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 524 | 12 | 2 | 6 | 4.0 | O=C(Cc1nccn1Cc1ccccc1)N1CCCc2cc(CCNC[C@H](O)COc3ccccc3)ccc21 | 10.1016/j.bmc.2009.03.044 | ||
| 24823464 | 197921 | 0 | None | -588 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 418 | 10 | 4 | 4 | 4.7 | CC(C)Nc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm701324c | ||
| CHEMBL270964 | 197921 | 0 | None | -588 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 418 | 10 | 4 | 4 | 4.7 | CC(C)Nc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm701324c | ||
| 24823464 | 197921 | 0 | None | -588 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 418 | 10 | 4 | 4 | 4.7 | CC(C)Nc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm9000709 | ||
| CHEMBL270964 | 197921 | 0 | None | -588 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 418 | 10 | 4 | 4 | 4.7 | CC(C)Nc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm9000709 | ||
| 44392457 | 330819 | 0 | None | -34 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 457 | 11 | 4 | 6 | 3.7 | C/C=C/CNc1cccc([C@@H](O)CN[C@H](C)Cc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| CHEMBL425161 | 330819 | 0 | None | -34 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 457 | 11 | 4 | 6 | 3.7 | C/C=C/CNc1cccc([C@@H](O)CN[C@H](C)Cc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| 44127677 | 390222 | 0 | None | -2 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 471 | 11 | 4 | 6 | 3.7 | O=C(Cc1ccc2ccccc2n1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| CHEMBL552089 | 390222 | 0 | None | -2 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 471 | 11 | 4 | 6 | 3.7 | O=C(Cc1ccc2ccccc2n1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| 567 | 1496 | 16 | None | -173 | 4 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/s0960-894x(03)00073-8 | ||
| 9841972 | 1496 | 16 | None | -173 | 4 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/s0960-894x(03)00073-8 | ||
| CHEMBL284782 | 1496 | 16 | None | -173 | 4 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/s0960-894x(03)00073-8 | ||
| 11703823 | 452093 | 0 | None | -131 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 390 | 6 | 4 | 5 | 3.0 | CC(C)(Cc1ccc(Cl)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
| CHEMBL603274 | 452093 | 0 | None | -131 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 390 | 6 | 4 | 5 | 3.0 | CC(C)(Cc1ccc(Cl)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
| 24950234 | 349971 | 0 | None | -223 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 494 | 10 | 4 | 5 | 5.8 | CCCNc1cc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)cc(C(=O)O)c1 | 10.1021/jm800222k | ||
| CHEMBL458923 | 349971 | 0 | None | -223 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 494 | 10 | 4 | 5 | 5.8 | CCCNc1cc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)cc(C(=O)O)c1 | 10.1021/jm800222k | ||
| 131487 | 19320 | 8 | None | None | None | Guinea pig | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 273 | 5 | 4 | 5 | 1.4 | CC(C)(C)NCC(O)COc1cc(O)c(O)cc1F | 10.1021/jm00107a027 | ||
| CHEMBL10494 | 19320 | 8 | None | None | None | Guinea pig | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 273 | 5 | 4 | 5 | 1.4 | CC(C)(C)NCC(O)COc1cc(O)c(O)cc1F | 10.1021/jm00107a027 | ||
| 24822648 | 197910 | 0 | None | -28 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 425 | 9 | 3 | 4 | 4.6 | COc1cc(C(=O)O)ccc1-c1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1 | 10.1021/jm701324c | ||
| CHEMBL270889 | 197910 | 0 | None | -28 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 425 | 9 | 3 | 4 | 4.6 | COc1cc(C(=O)O)ccc1-c1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1 | 10.1021/jm701324c | ||
| 45484558 | 393925 | 0 | None | -4 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 498 | 11 | 8 | 7 | 1.6 | CC(C)(Cc1ccc(NC(=O)CCCNC(=N)N)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.06.104 | ||
| CHEMBL565770 | 393925 | 0 | None | -4 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 498 | 11 | 8 | 7 | 1.6 | CC(C)(Cc1ccc(NC(=O)CCCNC(=N)N)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.06.104 | ||
| 44574687 | 352434 | 0 | None | None | None | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 406 | 11 | 3 | 6 | 2.2 | O=C(Cc1ccccn1)Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
| CHEMBL466713 | 352434 | 0 | None | None | None | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 406 | 11 | 3 | 6 | 2.2 | O=C(Cc1ccccn1)Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
| 44219629 | 352482 | 0 | None | -1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 484 | 13 | 3 | 6 | 3.7 | O=C(Cc1nccn1Cc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
| CHEMBL467083 | 352482 | 0 | None | -1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 484 | 13 | 3 | 6 | 3.7 | O=C(Cc1nccn1Cc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
| 44126931 | 390171 | 0 | None | -1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 496 | 12 | 4 | 5 | 4.7 | O=C(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)C(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2009.01.022 | ||
| CHEMBL551831 | 390171 | 0 | None | -1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 496 | 12 | 4 | 5 | 4.7 | O=C(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)C(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2009.01.022 | ||
| 24895664 | 350656 | 0 | None | -251 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 467 | 12 | 3 | 4 | 5.8 | CCCOc1cc(-c2ccc(CCCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL459863 | 350656 | 0 | None | -251 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 467 | 12 | 3 | 4 | 5.8 | CCCOc1cc(-c2ccc(CCCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 44396568 | 139569 | 0 | None | -34 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 529 | 12 | 5 | 7 | 3.7 | C[C@H](Cc1c[nH]c2c(OCC(=O)O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
| CHEMBL188196 | 139569 | 0 | None | -34 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 529 | 12 | 5 | 7 | 3.7 | C[C@H](Cc1c[nH]c2c(OCC(=O)O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
| 9853471 | 469731 | 0 | None | -295 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 628 | 12 | 6 | 6 | 6.7 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(CC4NCCc5cc(O)c(O)cc54)cc3)cc2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| CHEMBL75604 | 469731 | 0 | None | -295 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 628 | 12 | 6 | 6 | 6.7 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(CC4NCCc5cc(O)c(O)cc54)cc3)cc2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| 44331425 | 18793 | 0 | None | -186 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 576 | 13 | 6 | 8 | 2.5 | CC(C)C[C@H](NC(=O)c1ccc(N2CCC(CNC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1)C(=O)O | 10.1016/s0960-894x(02)00608-x | ||
| CHEMBL101630 | 18793 | 0 | None | -186 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 576 | 13 | 6 | 8 | 2.5 | CC(C)C[C@H](NC(=O)c1ccc(N2CCC(CNC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1)C(=O)O | 10.1016/s0960-894x(02)00608-x | ||
| 45483838 | 394015 | 0 | None | -14 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 383 | 7 | 4 | 4 | 3.5 | CC(C)(Cc1cccc(C(F)(F)F)c1)NCC(O)c1ccc(O)c(CO)c1 | 10.1016/j.bmcl.2009.10.013 | ||
| CHEMBL566352 | 394015 | 0 | None | -14 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 383 | 7 | 4 | 4 | 3.5 | CC(C)(Cc1cccc(C(F)(F)F)c1)NCC(O)c1ccc(O)c(CO)c1 | 10.1016/j.bmcl.2009.10.013 | ||
| 10302342 | 219344 | 0 | None | -3 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 538 | 14 | 5 | 6 | 4.5 | O=C(NCCCC1CCCC1)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
| CHEMBL323258 | 219344 | 0 | None | -3 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 538 | 14 | 5 | 6 | 4.5 | O=C(NCCCC1CCCC1)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
| 44396488 | 139018 | 0 | None | -14 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 556 | 12 | 4 | 7 | 3.8 | C[C@H](Cc1c[nH]c2c(OCC(=O)N(C)C)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
| CHEMBL185703 | 139018 | 0 | None | -14 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 556 | 12 | 4 | 7 | 3.8 | C[C@H](Cc1c[nH]c2c(OCC(=O)N(C)C)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
| 9831168 | 469590 | 0 | None | 1 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 552 | 11 | 6 | 6 | 5.0 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC3NCCc4cc(O)c(O)cc43)cc2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| CHEMBL74085 | 469590 | 0 | None | 1 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 552 | 11 | 6 | 6 | 5.0 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC3NCCc4cc(O)c(O)cc43)cc2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| 11005613 | 238515 | 0 | None | -1 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 501 | 12 | 4 | 5 | 4.3 | Cc1ccc(S(=O)(=O)NCCc2ccc(NC[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm0101500 | ||
| CHEMBL348269 | 238515 | 0 | None | -1 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 501 | 12 | 4 | 5 | 4.3 | Cc1ccc(S(=O)(=O)NCCc2ccc(NC[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm0101500 | ||
| 44441234 | 194206 | 0 | None | -63 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 414 | 9 | 4 | 5 | 4.4 | C[C@H](CNc1ccc(-c2occc2C(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| CHEMBL247520 | 194206 | 0 | None | -63 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 414 | 9 | 4 | 5 | 4.4 | C[C@H](CNc1ccc(-c2occc2C(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| 44441228 | 332541 | 0 | None | -3 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 431 | 9 | 4 | 6 | 4.3 | C[C@H](CNc1ccc(-c2nc(C(=O)O)cs2)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| CHEMBL430390 | 332541 | 0 | None | -3 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 431 | 9 | 4 | 6 | 4.3 | C[C@H](CNc1ccc(-c2nc(C(=O)O)cs2)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| 46832507 | 38131 | 0 | None | -12 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 475 | 17 | 6 | 7 | 2.8 | NC(=O)Nc1cccc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm100326d | ||
| CHEMBL1198915 | 38131 | 0 | None | -12 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 475 | 17 | 6 | 7 | 2.8 | NC(=O)Nc1cccc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm100326d | ||
| 10203169 | 38153 | 0 | None | -25 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 433 | 16 | 5 | 7 | 3.0 | OCc1cc([C@@H](O)CNCCCCCCOCCOCc2cccc(O)c2)ccc1O | 10.1021/jm100326d | ||
| CHEMBL1199300 | 38153 | 0 | None | -25 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 433 | 16 | 5 | 7 | 3.0 | OCc1cc([C@@H](O)CNCCCCCCOCCOCc2cccc(O)c2)ccc1O | 10.1021/jm100326d | ||
| 44574867 | 352484 | 0 | None | -2 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 562 | 13 | 3 | 6 | 4.4 | O=C(Cc1nccn1Cc1ccc(Br)cc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
| CHEMBL467102 | 352484 | 0 | None | -2 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 562 | 13 | 3 | 6 | 4.4 | O=C(Cc1nccn1Cc1ccc(Br)cc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
| 44579650 | 370406 | 0 | None | -15 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 435 | 10 | 4 | 6 | 3.4 | CC(=O)Nc1ccc(Oc2cccc(CCNC[C@H](O)c3cccnc3)c2)cc1C(=O)O | 10.1016/j.bmcl.2008.08.009 | ||
| CHEMBL492005 | 370406 | 0 | None | -15 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 435 | 10 | 4 | 6 | 3.4 | CC(=O)Nc1ccc(Oc2cccc(CCNC[C@H](O)c3cccnc3)c2)cc1C(=O)O | 10.1016/j.bmcl.2008.08.009 | ||
| 44580041 | 385826 | 0 | None | -9 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 530 | 11 | 4 | 5 | 5.9 | O=C(O)c1cc(NC(=O)c2ccccc2)cc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)c1 | 10.1016/j.bmcl.2008.08.009 | ||
| CHEMBL524145 | 385826 | 0 | None | -9 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 530 | 11 | 4 | 5 | 5.9 | O=C(O)c1cc(NC(=O)c2ccccc2)cc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)c1 | 10.1016/j.bmcl.2008.08.009 | ||
| 44127480 | 393530 | 0 | None | 6 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 454 | 11 | 4 | 5 | 3.8 | O=C(Cc1ccc(Cl)cc1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| CHEMBL563810 | 393530 | 0 | None | 6 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 454 | 11 | 4 | 5 | 3.8 | O=C(Cc1ccc(Cl)cc1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| 44560793 | 372072 | 0 | None | -2951 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 434 | 11 | 3 | 5 | 4.5 | CCCOc1cc(-c2ccc(C[C@@H](C)NC[C@H](O)c3cccnc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL507506 | 372072 | 0 | None | -2951 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 434 | 11 | 3 | 5 | 4.5 | CCCOc1cc(-c2ccc(C[C@@H](C)NC[C@H](O)c3cccnc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 9873257 | 175899 | 15 | None | -147 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 591 | 14 | 3 | 10 | 3.5 | O=c1n(CCCC2CCCC2)nnn1-c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00182-1 | ||
| CHEMBL22375 | 175899 | 15 | None | -147 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 591 | 14 | 3 | 10 | 3.5 | O=c1n(CCCC2CCCC2)nnn1-c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00182-1 | ||
| 155527926 | 335793 | 0 | None | -8709 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 451 | 11 | 5 | 5 | 3.9 | CC(C)CCC(=O)Nc1cccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.bmc.2018.10.043 | ||
| CHEMBL4460095 | 335793 | 0 | None | -8709 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 451 | 11 | 5 | 5 | 3.9 | CC(C)CCC(=O)Nc1cccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.bmc.2018.10.043 | ||
| 164612026 | 368660 | 0 | None | -776 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 237 | 4 | 3 | 4 | 1.3 | CC(C)NC(CO)c1cc(F)c(N)c(C#N)c1 | 10.1021/acs.jmedchem.0c01195 | ||
| CHEMBL4860455 | 368660 | 0 | None | -776 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 237 | 4 | 3 | 4 | 1.3 | CC(C)NC(CO)c1cc(F)c(N)c(C#N)c1 | 10.1021/acs.jmedchem.0c01195 | ||
| 56670092 | 136436 | 0 | None | -79 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 445 | 13 | 4 | 7 | 2.5 | CN(CCOCCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)CCc1ccccc1 | 10.1016/j.bmcl.2011.05.097 | ||
| CHEMBL1807874 | 136436 | 0 | None | -79 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 445 | 13 | 4 | 7 | 2.5 | CN(CCOCCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)CCc1ccccc1 | 10.1016/j.bmcl.2011.05.097 | ||
| 56675509 | 136813 | 0 | None | -79 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 513 | 17 | 5 | 7 | 3.2 | O=C1CNC(=O)N1c1ccccc1CCCCOCCCCCCNC[C@H](O)c1ccc(O)c(CO)c1 | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1814270 | 136813 | 0 | None | -79 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 513 | 17 | 5 | 7 | 3.2 | O=C1CNC(=O)N1c1ccccc1CCCCOCCCCCCNC[C@H](O)c1ccc(O)c(CO)c1 | 10.1016/j.bmc.2011.05.064 | ||
| 53357712 | 138699 | 0 | None | -251 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 541 | 17 | 5 | 7 | 3.9 | CC1(C)NC(=O)N(c2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)C1=O | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1851848 | 138699 | 0 | None | -251 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 541 | 17 | 5 | 7 | 3.9 | CC1(C)NC(=O)N(c2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)C1=O | 10.1016/j.bmc.2011.05.064 | ||
| 56658244 | 138700 | 0 | None | -79 | 4 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 513 | 17 | 5 | 7 | 3.2 | O=C1CN(c2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)C(=O)N1 | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1851849 | 138700 | 0 | None | -79 | 4 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 513 | 17 | 5 | 7 | 3.2 | O=C1CN(c2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)C(=O)N1 | 10.1016/j.bmc.2011.05.064 | ||
| 9958539 | 203155 | 0 | None | -1 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 527 | 3 | 2 | 5 | 3.4 | COc1c(I)cc(CC2NCCc3nc(N)sc32)cc1I | 10.1016/s0960-894x(00)00459-5 | ||
| CHEMBL307647 | 203155 | 0 | None | -1 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 527 | 3 | 2 | 5 | 3.4 | COc1c(I)cc(CC2NCCc3nc(N)sc32)cc1I | 10.1016/s0960-894x(00)00459-5 | ||
| 164615222 | 371709 | 0 | None | -91 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 396 | 8 | 4 | 5 | 3.3 | COc1ccccc1CCC(C)(C)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028301 | 371709 | 0 | None | -91 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 396 | 8 | 4 | 5 | 3.3 | COc1ccccc1CCC(C)(C)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| 13121351 | 465259 | 0 | None | None | None | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 280 | 3 | 4 | 5 | 1.1 | CC(C)(C)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1021/acs.jmedchem.3c02074 | ||
| CHEMBL6070415 | 465259 | 0 | None | None | None | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 280 | 3 | 4 | 5 | 1.1 | CC(C)(C)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1021/acs.jmedchem.3c02074 | ||
| 164615492 | 371712 | 0 | None | -120 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 380 | 7 | 4 | 4 | 3.6 | Cc1ccccc1CCC(C)(C)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028319 | 371712 | 0 | None | -120 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 380 | 7 | 4 | 4 | 3.6 | Cc1ccccc1CCC(C)(C)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| 177640293 | 465187 | 0 | None | -70 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 308 | 8 | 4 | 5 | 1.9 | CCCCCCNCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1021/acs.jmedchem.3c02074 | ||
| CHEMBL6069894 | 465187 | 0 | None | -70 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 308 | 8 | 4 | 5 | 1.9 | CCCCCCNCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1021/acs.jmedchem.3c02074 | ||
| 177640583 | 465235 | 0 | None | -165 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 358 | 7 | 4 | 6 | 1.6 | COc1ccc(CCNCC(O)c2ccc(O)c3c2OCC(=O)N3)cc1 | 10.1021/acs.jmedchem.3c02074 | ||
| CHEMBL6070233 | 465235 | 0 | None | -165 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 358 | 7 | 4 | 6 | 1.6 | COc1ccc(CCNCC(O)c2ccc(O)c3c2OCC(=O)N3)cc1 | 10.1021/acs.jmedchem.3c02074 | ||
| 2388 | 18486 | 20 | None | -4 | 7 | Guinea pig | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/jm00019a001 | ||
| 443372 | 18486 | 20 | None | -4 | 7 | Guinea pig | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/jm00019a001 | ||
| CHEMBL1160723 | 18486 | 20 | None | -4 | 7 | Guinea pig | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/jm00019a001 | ||
| 44392215 | 137901 | 0 | None | 1 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 465 | 12 | 5 | 6 | 3.3 | COc1ccc(NC(=O)Nc2ccc(C[C@@H](CO)NC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2004.11.001 | ||
| CHEMBL183307 | 137901 | 0 | None | 1 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 465 | 12 | 5 | 6 | 3.3 | COc1ccc(NC(=O)Nc2ccc(C[C@@H](CO)NC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2004.11.001 | ||
| 177640576 | 465193 | 0 | None | -47 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 418 | 8 | 4 | 5 | 3.6 | O=C1COc2c(C(O)CNCCC(c3ccccc3)c3ccccc3)ccc(O)c2N1 | 10.1021/acs.jmedchem.3c02074 | ||
| CHEMBL6069914 | 465193 | 0 | None | -47 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 418 | 8 | 4 | 5 | 3.6 | O=C1COc2c(C(O)CNCCC(c3ccccc3)c3ccccc3)ccc(O)c2N1 | 10.1021/acs.jmedchem.3c02074 | ||
| 5311116 | 4758 | 10 | None | 4365 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10.1021/jm400348g | ||
| 544 | 4758 | 10 | None | 4365 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10.1021/jm400348g | ||
| CHEMBL207802 | 4758 | 10 | None | 4365 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10.1021/jm400348g | ||
| 56598832 | 179130 | 0 | None | 4365 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 527 | 16 | 5 | 7 | 3.3 | O=C(NCCNCC(O)COc1ccc(OCCOCCc2ccc(F)cc2)cc1)Nc1ccc(O)cc1 | 10.1021/jm400348g | ||
| CHEMBL2348218 | 179130 | 0 | None | 4365 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 527 | 16 | 5 | 7 | 3.3 | O=C(NCCNCC(O)COc1ccc(OCCOCCc2ccc(F)cc2)cc1)Nc1ccc(O)cc1 | 10.1021/jm400348g | ||
| 164617772 | 371727 | 0 | None | -173 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 368 | 7 | 5 | 5 | 2.6 | CC(CCc1cccc(O)c1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028458 | 371727 | 0 | None | -173 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 368 | 7 | 5 | 5 | 2.6 | CC(CCc1cccc(O)c1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| 164611794 | 371679 | 0 | None | -131 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 382 | 7 | 5 | 5 | 3.0 | CC(C)(CCc1cccc(O)c1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028104 | 371679 | 0 | None | -131 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 382 | 7 | 5 | 5 | 3.0 | CC(C)(CCc1cccc(O)c1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| 10289065 | 26813 | 0 | None | -1 | 4 | Guinea pig | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCOCCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| 42625898 | 26813 | 0 | None | -1 | 4 | Guinea pig | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCOCCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| CHEMBL1186683 | 26813 | 0 | None | -1 | 4 | Guinea pig | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCOCCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| CHEMBL485847 | 26813 | 0 | None | -1 | 4 | Guinea pig | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCOCCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| 42625511 | 27003 | 0 | None | -3 | 4 | Guinea pig | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1ccccc1CCCCOCCCCCCNC[C@H](O)c1ccc(O)c(CO)c1 | 10.1021/jm801016j | ||
| CHEMBL1187778 | 27003 | 0 | None | -3 | 4 | Guinea pig | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1ccccc1CCCCOCCCCCCNC[C@H](O)c1ccc(O)c(CO)c1 | 10.1021/jm801016j | ||
| 90645344 | 221940 | 0 | None | -7 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 550 | 11 | 6 | 7 | 5.0 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1CN | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298324 | 221940 | 0 | None | -7 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 550 | 11 | 6 | 7 | 5.0 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1CN | 10.1016/j.bmcl.2014.04.095 | ||
| 10239722 | 221942 | 0 | None | -11 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 550 | 11 | 6 | 7 | 5.0 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccc(CN)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298326 | 221942 | 0 | None | -11 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 550 | 11 | 6 | 7 | 5.0 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccc(CN)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| 164621302 | 371753 | 0 | None | -120 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 382 | 8 | 4 | 5 | 2.9 | COc1cccc(CCC(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028641 | 371753 | 0 | None | -120 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 382 | 8 | 4 | 5 | 2.9 | COc1cccc(CCC(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.ejmech.2021.113697 | ||
| 164610792 | 371672 | 0 | None | -134 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 380 | 7 | 4 | 4 | 3.6 | Cc1cccc(CCC(C)(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028040 | 371672 | 0 | None | -134 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 380 | 7 | 4 | 4 | 3.6 | Cc1cccc(CCC(C)(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.ejmech.2021.113697 | ||
| 145984584 | 330749 | 0 | None | -5 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 444 | 10 | 5 | 4 | 4.4 | O=C(Nc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]ccc23)cc1 | 10.1016/j.ejmech.2018.03.032 | ||
| CHEMBL4249564 | 330749 | 0 | None | -5 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 444 | 10 | 5 | 4 | 4.4 | O=C(Nc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]ccc23)cc1 | 10.1016/j.ejmech.2018.03.032 | ||
| 24822643 | 313548 | 0 | None | -4 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 413 | 8 | 3 | 3 | 4.7 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)c(F)c1 | 10.1021/jm701324c | ||
| CHEMBL408145 | 313548 | 0 | None | -4 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 413 | 8 | 3 | 3 | 4.7 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)c(F)c1 | 10.1021/jm701324c | ||
| 44392212 | 333069 | 0 | None | 12 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 405 | 10 | 4 | 4 | 3.9 | O=C(Nc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL434524 | 333069 | 0 | None | 12 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 405 | 10 | 4 | 4 | 3.9 | O=C(Nc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| 45271492 | 389996 | 0 | None | 16 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 390 | 10 | 3 | 4 | 3.5 | O=C(Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1)c1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL550906 | 389996 | 0 | None | 16 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 390 | 10 | 3 | 4 | 3.5 | O=C(Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1)c1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| 10113837 | 137869 | 0 | None | -39 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 435 | 11 | 5 | 5 | 3.3 | O=C(Nc1ccccc1)Nc1ccc(C[C@@H](CO)NC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmcl.2004.11.001 | ||
| CHEMBL183129 | 137869 | 0 | None | -39 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 435 | 11 | 5 | 5 | 3.3 | O=C(Nc1ccccc1)Nc1ccc(C[C@@H](CO)NC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmcl.2004.11.001 | ||
| 44396531 | 139122 | 0 | None | -38 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 647 | 18 | 4 | 8 | 6.4 | CCCCCCCCS(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.10.035 | ||
| CHEMBL186135 | 139122 | 0 | None | -38 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 647 | 18 | 4 | 8 | 6.4 | CCCCCCCCS(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.10.035 | ||
| 24822469 | 198080 | 0 | None | -26 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 401 | 8 | 3 | 4 | 4.6 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)s1 | 10.1021/jm701324c | ||
| CHEMBL271765 | 198080 | 0 | None | -26 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 401 | 8 | 3 | 4 | 4.6 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)s1 | 10.1021/jm701324c | ||
| 24950568 | 372877 | 0 | None | -234 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 422 | 6 | 3 | 4 | 4.3 | O=C(O)c1ccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)nc2)CC3)cc1 | 10.1021/jm800222k | ||
| CHEMBL516002 | 372877 | 0 | None | -234 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 422 | 6 | 3 | 4 | 4.3 | O=C(O)c1ccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)nc2)CC3)cc1 | 10.1021/jm800222k | ||
| 11625493 | 449019 | 1 | None | -12 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 400 | 8 | 4 | 6 | 2.8 | CCOc1ccc(CC(C)(C)NCC(O)c2cc(O)cc3c2OCC(=O)N3)cc1 | 10.1016/j.bmcl.2009.12.087 | ||
| CHEMBL600007 | 449019 | 1 | None | -12 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 400 | 8 | 4 | 6 | 2.8 | CCOc1ccc(CC(C)(C)NCC(O)c2cc(O)cc3c2OCC(=O)N3)cc1 | 10.1016/j.bmcl.2009.12.087 | ||
| 44565908 | 370375 | 0 | None | -1513 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 512 | 11 | 4 | 8 | 2.7 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cnccc3N)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| CHEMBL491726 | 370375 | 0 | None | -1513 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 512 | 11 | 4 | 8 | 2.7 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cnccc3N)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| 10139127 | 120285 | 0 | None | -50 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 455 | 9 | 3 | 7 | 2.6 | O=C1NC(=O)C(Cc2ccc(N3CCC(NC[C@H](O)COc4ccccc4)CC3)cc2)S1 | 10.1016/s0960-894x(01)00063-4 | ||
| CHEMBL165893 | 120285 | 0 | None | -50 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 455 | 9 | 3 | 7 | 2.6 | O=C1NC(=O)C(Cc2ccc(N3CCC(NC[C@H](O)COc4ccccc4)CC3)cc2)S1 | 10.1016/s0960-894x(01)00063-4 | ||
| 44589133 | 349823 | 0 | None | -2 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 354 | 8 | 2 | 4 | 3.4 | CC(C)NCC(O)COc1ccc2c(c1)CCCN2Cc1ccccc1 | 10.1016/j.bmc.2008.11.030 | ||
| CHEMBL458541 | 349823 | 0 | None | -2 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 354 | 8 | 2 | 4 | 3.4 | CC(C)NCC(O)COc1ccc2c(c1)CCCN2Cc1ccccc1 | 10.1016/j.bmc.2008.11.030 | ||
| 10145446 | 18532 | 0 | None | -102 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 602 | 14 | 5 | 8 | 3.6 | O=C(NCCCc1cccs1)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3ccc(O)cc3)CC2)cc1 | 10.1016/s0960-894x(02)00607-8 | ||
| CHEMBL100124 | 18532 | 0 | None | -102 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 602 | 14 | 5 | 8 | 3.6 | O=C(NCCCc1cccs1)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3ccc(O)cc3)CC2)cc1 | 10.1016/s0960-894x(02)00607-8 | ||
| 46232816 | 450765 | 0 | None | -3 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 432 | 7 | 4 | 5 | 4.0 | CC(C)(Cc1ccc(-c2ccccc2)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
| CHEMBL601858 | 450765 | 0 | None | -3 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 432 | 7 | 4 | 5 | 4.0 | CC(C)(Cc1ccc(-c2ccccc2)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
| 11632691 | 463840 | 0 | None | -3 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 398 | 7 | 4 | 5 | 3.5 | CC(C)c1ccc(CC(C)(C)NCC(O)c2cc(O)cc3c2OCC(=O)N3)cc1 | 10.1016/j.bmcl.2009.12.087 | ||
| CHEMBL605372 | 463840 | 0 | None | -3 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 398 | 7 | 4 | 5 | 3.5 | CC(C)c1ccc(CC(C)(C)NCC(O)c2cc(O)cc3c2OCC(=O)N3)cc1 | 10.1016/j.bmcl.2009.12.087 | ||
| 44377523 | 119039 | 0 | None | 1 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 509 | 9 | 3 | 8 | 1.0 | O=C1N=c2cccc(OC[C@@H](O)CNC3CCN(c4ccc(CC5SC(=O)NC5=O)cc4)CC3)c2=N1 | 10.1016/s0960-894x(01)00063-4 | ||
| CHEMBL162711 | 119039 | 0 | None | 1 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 509 | 9 | 3 | 8 | 1.0 | O=C1N=c2cccc(OC[C@@H](O)CNC3CCN(c4ccc(CC5SC(=O)NC5=O)cc4)CC3)c2=N1 | 10.1016/s0960-894x(01)00063-4 | ||
| 9933039 | 328052 | 0 | None | -28 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 442 | 11 | 4 | 6 | 2.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL417613 | 328052 | 0 | None | -28 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 442 | 11 | 4 | 6 | 2.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| 24895563 | 350698 | 0 | None | -173 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 435 | 12 | 3 | 5 | 4.5 | CCCOc1cc(-c2ccc(OCCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL460256 | 350698 | 0 | None | -173 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 435 | 12 | 3 | 5 | 4.5 | CCCOc1cc(-c2ccc(OCCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 11668125 | 451138 | 0 | None | -4 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 384 | 7 | 4 | 5 | 2.9 | CCc1ccc(CC(C)(C)NCC(O)c2cc(O)cc3c2OCC(=O)N3)cc1 | 10.1016/j.bmcl.2009.12.087 | ||
| CHEMBL602258 | 451138 | 0 | None | -4 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 384 | 7 | 4 | 5 | 2.9 | CCc1ccc(CC(C)(C)NCC(O)c2cc(O)cc3c2OCC(=O)N3)cc1 | 10.1016/j.bmcl.2009.12.087 | ||
| 155536314 | 336700 | 0 | None | -6025 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 354 | 7 | 5 | 5 | 2.2 | O=c1ccc2c(C(O)CNCCCc3cccc(O)c3)ccc(O)c2[nH]1 | 10.1016/j.bmc.2018.10.043 | ||
| CHEMBL4473515 | 336700 | 0 | None | -6025 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 354 | 7 | 5 | 5 | 2.2 | O=c1ccc2c(C(O)CNCCCc3cccc(O)c3)ccc(O)c2[nH]1 | 10.1016/j.bmc.2018.10.043 | ||
| 24895789 | 372043 | 0 | None | -72 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 375 | 8 | 3 | 3 | 4.3 | C[C@H](Cc1ccc(-c2ccc(C(=O)O)cc2)cc1)NC[C@H](O)c1ccccc1 | 10.1021/jm8000345 | ||
| CHEMBL507003 | 372043 | 0 | None | -72 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 375 | 8 | 3 | 3 | 4.3 | C[C@H](Cc1ccc(-c2ccc(C(=O)O)cc2)cc1)NC[C@H](O)c1ccccc1 | 10.1021/jm8000345 | ||
| 44396715 | 139734 | 0 | None | -20 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 612 | 12 | 4 | 9 | 4.4 | C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3cccnc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
| CHEMBL189081 | 139734 | 0 | None | -20 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 612 | 12 | 4 | 9 | 4.4 | C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3cccnc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
| 155551006 | 348015 | 0 | None | -44 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 423 | 9 | 5 | 5 | 3.1 | CC(C)C(=O)Nc1cccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.bmc.2018.10.043 | ||
| CHEMBL4541169 | 348015 | 0 | None | -44 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 423 | 9 | 5 | 5 | 3.1 | CC(C)C(=O)Nc1cccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.bmc.2018.10.043 | ||
| 164620585 | 371747 | 0 | None | -616 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 382 | 7 | 5 | 5 | 3.0 | CC(C)(CCc1ccc(O)cc1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028602 | 371747 | 0 | None | -616 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 382 | 7 | 5 | 5 | 3.0 | CC(C)(CCc1ccc(O)cc1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| 56598833 | 179129 | 0 | None | 436 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 433 | 14 | 5 | 7 | 2.0 | CCOCCOc1ccc(OCC(O)CNCCNC(=O)Nc2ccc(O)cc2)cc1 | 10.1021/jm400348g | ||
| CHEMBL2348217 | 179129 | 0 | None | 436 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 433 | 14 | 5 | 7 | 2.0 | CCOCCOc1ccc(OCC(O)CNCCNC(=O)Nc2ccc(O)cc2)cc1 | 10.1021/jm400348g | ||
| 42639314 | 26838 | 0 | None | -575 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 550 | 11 | 3 | 6 | 5.0 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1OC1CCCCCC1 | 10.1021/jm9000709 | ||
| CHEMBL1186804 | 26838 | 0 | None | -575 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 550 | 11 | 3 | 6 | 5.0 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1OC1CCCCCC1 | 10.1021/jm9000709 | ||
| 2388 | 18486 | 20 | None | -4 | 7 | Guinea pig | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/jm00019a001 | ||
| 443372 | 18486 | 20 | None | -4 | 7 | Guinea pig | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/jm00019a001 | ||
| CHEMBL1160723 | 18486 | 20 | None | -4 | 7 | Guinea pig | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/jm00019a001 | ||
| 145983266 | 330405 | 0 | None | -66 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 512 | 14 | 5 | 6 | 2.7 | CC(=O)NCc1cccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)Nc3ccccc3)cc2)c1 | 10.1016/j.ejmech.2018.03.032 | ||
| CHEMBL4241176 | 330405 | 0 | None | -66 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 512 | 14 | 5 | 6 | 2.7 | CC(=O)NCc1cccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)Nc3ccccc3)cc2)c1 | 10.1016/j.ejmech.2018.03.032 | ||
| 319 | 7908 | 34 | None | -2290 | 5 | Rat | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2010.12.096 | ||
| 444031 | 7908 | 34 | None | -2290 | 5 | Rat | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2010.12.096 | ||
| 784 | 7908 | 34 | None | -2290 | 5 | Rat | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2010.12.096 | ||
| CHEMBL1346 | 7908 | 34 | None | -2290 | 5 | Rat | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2010.12.096 | ||
| 155543518 | 349026 | 0 | None | -794 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 457 | 9 | 5 | 5 | 3.7 | O=C(Nc1cccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1)c1ccccc1 | 10.1016/j.bmc.2018.10.043 | ||
| CHEMBL4566727 | 349026 | 0 | None | -794 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 457 | 9 | 5 | 5 | 3.7 | O=C(Nc1cccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1)c1ccccc1 | 10.1016/j.bmc.2018.10.043 | ||
| 45101521 | 393918 | 0 | None | -4 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 570 | 15 | 8 | 9 | 1.3 | CC(C)(Cc1ccc(NC(=O)CCCNC(=O)C(N)CCCN)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.06.104 | ||
| CHEMBL565747 | 393918 | 0 | None | -4 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 570 | 15 | 8 | 9 | 1.3 | CC(C)(Cc1ccc(NC(=O)CCCNC(=O)C(N)CCCN)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.06.104 | ||
| 44560794 | 347594 | 0 | None | -346 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 474 | 10 | 3 | 5 | 5.4 | C[C@H](Cc1ccc(-c2ccc(C(=O)O)c(OC3CCCCC3)c2)cc1)NC[C@H](O)c1cccnc1 | 10.1021/jm8000345 | ||
| CHEMBL453056 | 347594 | 0 | None | -346 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 474 | 10 | 3 | 5 | 5.4 | C[C@H](Cc1ccc(-c2ccc(C(=O)O)c(OC3CCCCC3)c2)cc1)NC[C@H](O)c1cccnc1 | 10.1021/jm8000345 | ||
| 164623230 | 371769 | 0 | None | -1479 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 380 | 7 | 4 | 4 | 3.6 | Cc1ccc(CCC(C)(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028744 | 371769 | 0 | None | -1479 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 380 | 7 | 4 | 4 | 3.6 | Cc1ccc(CCC(C)(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1016/j.ejmech.2021.113697 | ||
| 44579940 | 374940 | 0 | None | -37 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 468 | 10 | 4 | 5 | 4.7 | CC(=O)Nc1cc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc(C(=O)O)c1 | 10.1016/j.bmcl.2008.08.009 | ||
| CHEMBL519985 | 374940 | 0 | None | -37 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 468 | 10 | 4 | 5 | 4.7 | CC(=O)Nc1cc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc(C(=O)O)c1 | 10.1016/j.bmcl.2008.08.009 | ||
| 46232857 | 449376 | 0 | None | -19 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 440 | 7 | 4 | 6 | 3.3 | CC(C)(Cc1ccc(OC(F)(F)F)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
| CHEMBL600400 | 449376 | 0 | None | -19 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 440 | 7 | 4 | 6 | 3.3 | CC(C)(Cc1ccc(OC(F)(F)F)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
| 42639654 | 26906 | 0 | None | -1258 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 513 | 11 | 3 | 7 | 3.8 | CC(C)Sc1cc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| CHEMBL1187156 | 26906 | 0 | None | -1258 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 513 | 11 | 3 | 7 | 3.8 | CC(C)Sc1cc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| 164615990 | 368597 | 0 | None | -831 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 427 | 9 | 5 | 6 | 1.6 | CN(C)C(=O)CNc1ccc2c(c1)C[C@@H](NC[C@H](O)c1ccc(O)c(CCO)c1)CC2 | 10.1021/acs.jmedchem.0c01195 | ||
| CHEMBL4859326 | 368597 | 0 | None | -831 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 427 | 9 | 5 | 6 | 1.6 | CN(C)C(=O)CNc1ccc2c(c1)C[C@@H](NC[C@H](O)c1ccc(O)c(CCO)c1)CC2 | 10.1021/acs.jmedchem.0c01195 | ||
| 9832011 | 215174 | 0 | None | -151 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 644 | 13 | 6 | 7 | 6.5 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(OCC4NCCc5cc(O)c(O)cc54)cc3)cc2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| CHEMBL312074 | 215174 | 0 | None | -151 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 644 | 13 | 6 | 7 | 6.5 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(OCC4NCCc5cc(O)c(O)cc54)cc3)cc2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| 11091850 | 100497 | 0 | None | -25 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 465 | 11 | 4 | 4 | 4.6 | Cc1ccc(CNC(=O)Cc2ccc(NC[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm0101500 | ||
| CHEMBL154370 | 100497 | 0 | None | -25 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 465 | 11 | 4 | 4 | 4.6 | Cc1ccc(CNC(=O)Cc2ccc(NC[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm0101500 | ||
| 44441232 | 194205 | 0 | None | -19 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 415 | 9 | 4 | 6 | 3.8 | C[C@H](CNc1ccc(-c2ocnc2C(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| CHEMBL247519 | 194205 | 0 | None | -19 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 415 | 9 | 4 | 6 | 3.8 | C[C@H](CNc1ccc(-c2ocnc2C(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| 9892481 | 142479 | 12 | None | -501 | 4 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 435 | 12 | 6 | 6 | 3.0 | O=CNc1cc([C@@H](O)CNCCc2ccc(NC[C@H](O)c3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL1940832 | 142479 | 12 | None | -501 | 4 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 435 | 12 | 6 | 6 | 3.0 | O=CNc1cc([C@@H](O)CNCCc2ccc(NC[C@H](O)c3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.095 | ||
| 9849126 | 26707 | 0 | None | -630 | 4 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 507 | 18 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(NC=O)c2)c1 | 10.1021/jm801016j | ||
| CHEMBL1185969 | 26707 | 0 | None | -630 | 4 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 507 | 18 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(NC=O)c2)c1 | 10.1021/jm801016j | ||
| 9892481 | 142479 | 12 | None | -501 | 4 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 435 | 12 | 6 | 6 | 3.0 | O=CNc1cc([C@@H](O)CNCCc2ccc(NC[C@H](O)c3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2011.11.072 | ||
| CHEMBL1940832 | 142479 | 12 | None | -501 | 4 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 435 | 12 | 6 | 6 | 3.0 | O=CNc1cc([C@@H](O)CNCCc2ccc(NC[C@H](O)c3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2011.11.072 | ||
| 44574720 | 352463 | 0 | None | None | None | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 494 | 11 | 4 | 5 | 4.5 | O=C(Cc1ccccn1)Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]c4ccccc4c23)cc1 | 10.1016/j.bmc.2009.03.044 | ||
| CHEMBL466923 | 352463 | 0 | None | None | None | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 494 | 11 | 4 | 5 | 4.5 | O=C(Cc1ccccn1)Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]c4ccccc4c23)cc1 | 10.1016/j.bmc.2009.03.044 | ||
| 49861320 | 117807 | 0 | None | -6 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 426 | 11 | 3 | 5 | 3.1 | O=S(=O)(Nc1ccccc1)c1ccc(CCNC[C@@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL1615579 | 117807 | 0 | None | -6 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 426 | 11 | 3 | 5 | 3.1 | O=S(=O)(Nc1ccccc1)c1ccc(CCNC[C@@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| 10048077 | 198194 | 15 | None | -52 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 425 | 9 | 3 | 4 | 4.6 | COc1cc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm9000709 | ||
| CHEMBL272383 | 198194 | 15 | None | -52 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 425 | 9 | 3 | 4 | 4.6 | COc1cc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm9000709 | ||
| 44574757 | 352398 | 0 | None | -12 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 511 | 14 | 3 | 6 | 4.4 | O=C(Cc1cccc(OCc2ccccc2)n1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
| CHEMBL466467 | 352398 | 0 | None | -12 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 511 | 14 | 3 | 6 | 4.4 | O=C(Cc1cccc(OCc2ccccc2)n1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
| 10048077 | 198194 | 15 | None | -52 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 425 | 9 | 3 | 4 | 4.6 | COc1cc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm701324c | ||
| CHEMBL272383 | 198194 | 15 | None | -52 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 425 | 9 | 3 | 4 | 4.6 | COc1cc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm701324c | ||
| 11003341 | 99569 | 0 | None | -10 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 376 | 10 | 4 | 4 | 3.5 | C[C@H](CNc1ccc(CCC(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| CHEMBL153558 | 99569 | 0 | None | -10 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 376 | 10 | 4 | 4 | 3.5 | C[C@H](CNc1ccc(CCC(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| 56658246 | 136814 | 0 | None | -1258 | 4 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 525 | 17 | 5 | 8 | 2.9 | O=c1cc[nH]c(=O)n1-c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1814277 | 136814 | 0 | None | -1258 | 4 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 525 | 17 | 5 | 8 | 2.9 | O=c1cc[nH]c(=O)n1-c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.05.064 | ||
| 11003341 | 99569 | 0 | None | -10 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 376 | 10 | 4 | 4 | 3.5 | C[C@H](CNc1ccc(CCC(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| CHEMBL153558 | 99569 | 0 | None | -10 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 376 | 10 | 4 | 4 | 3.5 | C[C@H](CNc1ccc(CCC(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| 2419 | 7043 | 56 | None | -1445 | 5 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.095 | ||
| 5152 | 7043 | 56 | None | -1445 | 5 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.095 | ||
| 559 | 7043 | 56 | None | -1445 | 5 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL1263 | 7043 | 56 | None | -1445 | 5 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.095 | ||
| DB00938 | 7043 | 56 | None | -1445 | 5 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.095 | ||
| 42625511 | 27003 | 0 | None | -316 | 4 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1ccccc1CCCCOCCCCCCNC[C@H](O)c1ccc(O)c(CO)c1 | 10.1021/jm801016j | ||
| CHEMBL1187778 | 27003 | 0 | None | -316 | 4 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1ccccc1CCCCOCCCCCCNC[C@H](O)c1ccc(O)c(CO)c1 | 10.1021/jm801016j | ||
| 2419 | 7043 | 56 | None | -1445 | 5 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.069 | ||
| 5152 | 7043 | 56 | None | -1445 | 5 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.069 | ||
| 559 | 7043 | 56 | None | -1445 | 5 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL1263 | 7043 | 56 | None | -1445 | 5 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.069 | ||
| DB00938 | 7043 | 56 | None | -1445 | 5 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.069 | ||
| 2419 | 7043 | 56 | None | -1445 | 5 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.11.072 | ||
| 5152 | 7043 | 56 | None | -1445 | 5 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.11.072 | ||
| 559 | 7043 | 56 | None | -1445 | 5 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.11.072 | ||
| CHEMBL1263 | 7043 | 56 | None | -1445 | 5 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.11.072 | ||
| DB00938 | 7043 | 56 | None | -1445 | 5 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.11.072 | ||
| 10180590 | 142477 | 0 | None | -707 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 422 | 11 | 6 | 6 | 2.9 | OCc1cc([C@@H](O)CNCCc2ccc(NC[C@H](O)c3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2011.11.072 | ||
| CHEMBL1940830 | 142477 | 0 | None | -707 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 422 | 11 | 6 | 6 | 2.9 | OCc1cc([C@@H](O)CNCCc2ccc(NC[C@H](O)c3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2011.11.072 | ||
| 10202462 | 142478 | 0 | None | -223 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 422 | 11 | 6 | 6 | 2.9 | OCc1cc([C@@H](O)CNCCc2ccc(NC[C@@H](O)c3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2011.11.072 | ||
| CHEMBL1940831 | 142478 | 0 | None | -223 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 422 | 11 | 6 | 6 | 2.9 | OCc1cc([C@@H](O)CNCCc2ccc(NC[C@@H](O)c3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2011.11.072 | ||
| 11669967 | 158174 | 0 | None | -12589 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 468 | 10 | 5 | 5 | 4.5 | C[C@H](CNc1cccc(-c2ccc(C(=O)O)cc2C(=O)O)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0509445 | ||
| CHEMBL206002 | 158174 | 0 | None | -12589 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 468 | 10 | 5 | 5 | 4.5 | C[C@H](CNc1cccc(-c2ccc(C(=O)O)cc2C(=O)O)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0509445 | ||
| 45375919 | 394110 | 0 | None | -87 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 400 | 7 | 5 | 6 | 2.1 | CC(C)(Cc1cccc(C(=O)O)c1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.10.013 | ||
| CHEMBL566973 | 394110 | 0 | None | -87 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 400 | 7 | 5 | 6 | 2.1 | CC(C)(Cc1cccc(C(=O)O)c1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.10.013 | ||
| 10232096 | 217298 | 0 | None | -1 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 586 | 12 | 5 | 6 | 5.1 | O=C(NCc1ccc(Cl)cc1Cl)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
| CHEMBL319041 | 217298 | 0 | None | -1 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 586 | 12 | 5 | 6 | 5.1 | O=C(NCc1ccc(Cl)cc1Cl)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
| 44396530 | 139375 | 0 | None | -23 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 591 | 14 | 4 | 8 | 4.8 | CCCCS(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.10.035 | ||
| CHEMBL187317 | 139375 | 0 | None | -23 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 591 | 14 | 4 | 8 | 4.8 | CCCCS(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.10.035 | ||
| 44396798 | 333976 | 0 | None | -56 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 542 | 10 | 5 | 7 | 3.2 | C[C@H](Cc1c[nH]c2c(S(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccc(N)c2)c1 | 10.1016/j.bmcl.2004.09.054 | ||
| CHEMBL442225 | 333976 | 0 | None | -56 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 542 | 10 | 5 | 7 | 3.2 | C[C@H](Cc1c[nH]c2c(S(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccc(N)c2)c1 | 10.1016/j.bmcl.2004.09.054 | ||
| 45483846 | 393902 | 0 | None | -1 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 412 | 6 | 4 | 5 | 3.7 | CC(C)(Cc1ccc(C(C)(C)C)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.10.013 | ||
| CHEMBL565685 | 393902 | 0 | None | -1 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 412 | 6 | 4 | 5 | 3.7 | CC(C)(Cc1ccc(C(C)(C)C)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.10.013 | ||
| 44574868 | 352485 | 0 | None | -3 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 534 | 13 | 3 | 6 | 4.8 | O=C(Cc1nccn1Cc1ccc2ccccc2c1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
| CHEMBL467103 | 352485 | 0 | None | -3 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 534 | 13 | 3 | 6 | 4.8 | O=C(Cc1nccn1Cc1ccc2ccccc2c1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
| 24823131 | 197708 | 0 | None | -15 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 429 | 8 | 3 | 3 | 5.2 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1Cl | 10.1021/jm701324c | ||
| CHEMBL269823 | 197708 | 0 | None | -15 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 429 | 8 | 3 | 3 | 5.2 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1Cl | 10.1021/jm701324c | ||
| 24823294 | 314922 | 0 | None | -870 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 459 | 10 | 3 | 4 | 5.6 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1OC1CCCCC1 | 10.1021/jm701324c | ||
| CHEMBL409718 | 314922 | 0 | None | -870 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 459 | 10 | 3 | 4 | 5.6 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1OC1CCCCC1 | 10.1021/jm701324c | ||
| 44127374 | 392915 | 0 | None | 1 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 421 | 11 | 4 | 6 | 2.5 | O=C(Cc1ccncc1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| CHEMBL561693 | 392915 | 0 | None | 1 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 421 | 11 | 4 | 6 | 2.5 | O=C(Cc1ccncc1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| 24823294 | 314922 | 0 | None | -870 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 459 | 10 | 3 | 4 | 5.6 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1OC1CCCCC1 | 10.1021/jm8000345 | ||
| CHEMBL409718 | 314922 | 0 | None | -870 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 459 | 10 | 3 | 4 | 5.6 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1OC1CCCCC1 | 10.1021/jm8000345 | ||
| 11420551 | 26787 | 0 | None | -436 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 495 | 11 | 4 | 6 | 3.7 | CC(C)Nc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| CHEMBL1186589 | 26787 | 0 | None | -436 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 495 | 11 | 4 | 6 | 3.7 | CC(C)Nc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| 24823294 | 314922 | 0 | None | -870 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 459 | 10 | 3 | 4 | 5.6 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
| CHEMBL409718 | 314922 | 0 | None | -870 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 459 | 10 | 3 | 4 | 5.6 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
| 1028 | 599 | 43 | None | -21 | 11 | Guinea pig | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00118a019 | ||
| 479 | 599 | 43 | None | -21 | 11 | Guinea pig | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00118a019 | ||
| 5816 | 599 | 43 | None | -21 | 11 | Guinea pig | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00118a019 | ||
| CHEMBL679 | 599 | 43 | None | -21 | 11 | Guinea pig | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00118a019 | ||
| DB00668 | 599 | 43 | None | -21 | 11 | Guinea pig | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00118a019 | ||
| 10119515 | 217999 | 0 | None | -7 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 536 | 12 | 5 | 6 | 3.9 | O=C(NCc1ccccc1F)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
| CHEMBL319840 | 217999 | 0 | None | -7 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 536 | 12 | 5 | 6 | 3.9 | O=C(NCc1ccccc1F)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
| 11758172 | 201076 | 0 | None | -371 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 592 | 11 | 3 | 7 | 5.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(F)c(F)c3)cs2)cc1 | 10.1021/jm000286i | ||
| CHEMBL293994 | 201076 | 0 | None | -371 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 592 | 11 | 3 | 7 | 5.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(F)c(F)c3)cs2)cc1 | 10.1021/jm000286i | ||
| 44336319 | 20693 | 0 | None | -524 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 617 | 12 | 6 | 7 | 3.7 | CS(=O)(=O)Nc1cc([C@@H](O)CNCCc2ccc(NC3CCN(C(=O)NCc4cc(F)ccc4F)CC3)cc2)ccc1O | 10.1016/s0960-894x(01)00645-x | ||
| CHEMBL108214 | 20693 | 0 | None | -524 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 617 | 12 | 6 | 7 | 3.7 | CS(=O)(=O)Nc1cc([C@@H](O)CNCCc2ccc(NC3CCN(C(=O)NCc4cc(F)ccc4F)CC3)cc2)ccc1O | 10.1016/s0960-894x(01)00645-x | ||
| 46232973 | 449619 | 0 | None | -19 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 424 | 6 | 4 | 5 | 3.4 | CC(C)(Cc1ccccc1C(F)(F)F)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
| CHEMBL600617 | 449619 | 0 | None | -19 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 424 | 6 | 4 | 5 | 3.4 | CC(C)(Cc1ccccc1C(F)(F)F)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
| 44392255 | 330823 | 0 | None | -5 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 401 | 11 | 5 | 5 | 2.1 | CC(C)NC(=O)Nc1ccc(C[C@@H](CO)NC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmcl.2004.11.001 | ||
| CHEMBL425173 | 330823 | 0 | None | -5 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 401 | 11 | 5 | 5 | 2.1 | CC(C)NC(=O)Nc1ccc(C[C@@H](CO)NC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmcl.2004.11.001 | ||
| 44574827 | 352543 | 0 | None | -3 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 518 | 13 | 3 | 6 | 4.3 | O=C(Cc1nccn1Cc1ccc(Cl)cc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
| CHEMBL467502 | 352543 | 0 | None | -3 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 518 | 13 | 3 | 6 | 4.3 | O=C(Cc1nccn1Cc1ccc(Cl)cc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
| 24950401 | 350979 | 0 | None | -147 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 481 | 8 | 3 | 6 | 4.5 | CN(C)c1cc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)nc2)CC3)cc(C(=O)O)c1 | 10.1021/jm800222k | ||
| CHEMBL463181 | 350979 | 0 | None | -147 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 481 | 8 | 3 | 6 | 4.5 | CN(C)c1cc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)nc2)CC3)cc(C(=O)O)c1 | 10.1021/jm800222k | ||
| 44127171 | 352431 | 0 | None | 1 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 421 | 11 | 4 | 6 | 2.5 | O=C(Cc1ccccn1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| CHEMBL466705 | 352431 | 0 | None | 1 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 421 | 11 | 4 | 6 | 2.5 | O=C(Cc1ccccn1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| 10722793 | 232396 | 0 | None | -630 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 640 | 12 | 3 | 8 | 6.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(OC(F)(F)F)cc3)cs2)cc1 | 10.1021/jm000286i | ||
| CHEMBL331744 | 232396 | 0 | None | -630 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 640 | 12 | 3 | 8 | 6.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(OC(F)(F)F)cc3)cs2)cc1 | 10.1021/jm000286i | ||
| 9871800 | 119287 | 0 | None | -269 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 534 | 9 | 5 | 9 | 2.0 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(CC4SC(=O)NC4=O)cc3)CC2)ccc1O | 10.1016/s0960-894x(01)00063-4 | ||
| CHEMBL163262 | 119287 | 0 | None | -269 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 534 | 9 | 5 | 9 | 2.0 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(CC4SC(=O)NC4=O)cc3)CC2)ccc1O | 10.1016/s0960-894x(01)00063-4 | ||
| 46232974 | 442974 | 11 | None | -27 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(CC(C)(C)NC[C@@H](O)c2cc(O)cc3c2OCC(=O)N3)cc1 | 10.1016/j.bmcl.2009.12.087 | ||
| CHEMBL600817 | 442974 | 11 | None | -27 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(CC(C)(C)NC[C@@H](O)c2cc(O)cc3c2OCC(=O)N3)cc1 | 10.1016/j.bmcl.2009.12.087 | ||
| 46233013 | 462578 | 0 | None | -19 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1cccc(CC(C)(C)NCC(O)c2cc(O)cc3c2OCC(=O)N3)c1 | 10.1016/j.bmcl.2009.12.087 | ||
| CHEMBL604125 | 462578 | 0 | None | -19 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1cccc(CC(C)(C)NCC(O)c2cc(O)cc3c2OCC(=O)N3)c1 | 10.1016/j.bmcl.2009.12.087 | ||
| 45484538 | 38017 | 0 | None | -2 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 556 | 13 | 6 | 7 | 1.9 | CC(C)(Cc1ccc(NC(=O)CCCNC(=O)C[N+](C)(C)C)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.06.104 | ||
| CHEMBL1197779 | 38017 | 0 | None | -2 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 556 | 13 | 6 | 7 | 1.9 | CC(C)(Cc1ccc(NC(=O)CCCNC(=O)C[N+](C)(C)C)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.06.104 | ||
| 44579651 | 370407 | 0 | None | -14 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 425 | 9 | 3 | 4 | 5.1 | C[C@H](Cc1cccc(Oc2cccc(C(=O)O)c2)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2008.08.009 | ||
| CHEMBL492006 | 370407 | 0 | None | -14 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 425 | 9 | 3 | 4 | 5.1 | C[C@H](Cc1cccc(Oc2cccc(C(=O)O)c2)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2008.08.009 | ||
| 24894202 | 372184 | 0 | None | -676 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 473 | 10 | 3 | 4 | 6.0 | C[C@H](Cc1ccc(-c2ccc(C(=O)O)c(OC3CCCCC3)c2)cc1)NC[C@H](O)c1ccccc1 | 10.1021/jm8000345 | ||
| CHEMBL509156 | 372184 | 0 | None | -676 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 473 | 10 | 3 | 4 | 6.0 | C[C@H](Cc1ccc(-c2ccc(C(=O)O)c(OC3CCCCC3)c2)cc1)NC[C@H](O)c1ccccc1 | 10.1021/jm8000345 | ||
| 44574688 | 352401 | 0 | None | None | None | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 461 | 11 | 5 | 6 | 2.0 | O=C(Cc1ccccn1)Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]c(=O)[nH]c23)cc1 | 10.1016/j.bmc.2009.03.044 | ||
| CHEMBL466519 | 352401 | 0 | None | None | None | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 461 | 11 | 5 | 6 | 2.0 | O=C(Cc1ccccn1)Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]c(=O)[nH]c23)cc1 | 10.1016/j.bmc.2009.03.044 | ||
| 44574722 | 352465 | 0 | None | 1 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 433 | 11 | 3 | 5 | 3.5 | Cc1cc(C)nc(CC(=O)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)c1 | 10.1016/j.bmc.2009.03.044 | ||
| CHEMBL466925 | 352465 | 0 | None | 1 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 433 | 11 | 3 | 5 | 3.5 | Cc1cc(C)nc(CC(=O)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)c1 | 10.1016/j.bmc.2009.03.044 | ||
| 44219630 | 352486 | 0 | None | None | None | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 498 | 13 | 2 | 6 | 3.7 | CN(C(=O)Cc1nccn1Cc1ccccc1)c1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
| CHEMBL467116 | 352486 | 0 | None | None | None | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 498 | 13 | 2 | 6 | 3.7 | CN(C(=O)Cc1nccn1Cc1ccccc1)c1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
| 24822310 | 198044 | 0 | None | -41 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 395 | 8 | 3 | 3 | 4.6 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm701324c | ||
| CHEMBL271576 | 198044 | 0 | None | -41 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 395 | 8 | 3 | 3 | 4.6 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm701324c | ||
| 24822310 | 198044 | 0 | None | -41 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 395 | 8 | 3 | 3 | 4.6 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1016/j.bmcl.2008.08.009 | ||
| CHEMBL271576 | 198044 | 0 | None | -41 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 395 | 8 | 3 | 3 | 4.6 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1016/j.bmcl.2008.08.009 | ||
| 44127054 | 390060 | 0 | None | 6 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 450 | 12 | 4 | 6 | 3.2 | COc1ccc(CC(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| CHEMBL551350 | 390060 | 0 | None | 6 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 450 | 12 | 4 | 6 | 3.2 | COc1ccc(CC(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| 24822310 | 198044 | 0 | None | -41 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 395 | 8 | 3 | 3 | 4.6 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm800222k | ||
| CHEMBL271576 | 198044 | 0 | None | -41 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 395 | 8 | 3 | 3 | 4.6 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm800222k | ||
| 24895365 | 347684 | 0 | None | -309 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 447 | 10 | 3 | 4 | 5.5 | CC(C)Oc1cc(-c2ccc(CC(C)(C)NC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL453323 | 347684 | 0 | None | -309 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 447 | 10 | 3 | 4 | 5.5 | CC(C)Oc1cc(-c2ccc(CC(C)(C)NC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 10298968 | 120302 | 0 | None | -239 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 471 | 9 | 4 | 8 | 2.3 | O=C1NC(=O)C(Cc2ccc(N3CCC(NC[C@H](O)COc4ccc(O)cc4)CC3)cc2)S1 | 10.1016/s0960-894x(01)00063-4 | ||
| CHEMBL166085 | 120302 | 0 | None | -239 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 471 | 9 | 4 | 8 | 2.3 | O=C1NC(=O)C(Cc2ccc(N3CCC(NC[C@H](O)COc4ccc(O)cc4)CC3)cc2)S1 | 10.1016/s0960-894x(01)00063-4 | ||
| 44396596 | 251381 | 0 | None | -25 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 485 | 10 | 4 | 6 | 4.3 | COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.10.035 | ||
| CHEMBL361505 | 251381 | 0 | None | -25 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 485 | 10 | 4 | 6 | 4.3 | COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.10.035 | ||
| 44396521 | 251752 | 0 | None | -6 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 514 | 12 | 5 | 7 | 3.6 | C[C@H](Cc1c[nH]c2c(OCCN)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
| CHEMBL362136 | 251752 | 0 | None | -6 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 514 | 12 | 5 | 7 | 3.6 | C[C@H](Cc1c[nH]c2c(OCCN)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
| 2419 | 7043 | 56 | None | -1445 | 5 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.3c02074 | ||
| 5152 | 7043 | 56 | None | -1445 | 5 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.3c02074 | ||
| 559 | 7043 | 56 | None | -1445 | 5 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.3c02074 | ||
| CHEMBL1263 | 7043 | 56 | None | -1445 | 5 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.3c02074 | ||
| DB00938 | 7043 | 56 | None | -1445 | 5 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.3c02074 | ||
| 44127171 | 352431 | 0 | None | 1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 421 | 11 | 4 | 6 | 2.5 | O=C(Cc1ccccn1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
| CHEMBL466705 | 352431 | 0 | None | 1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 421 | 11 | 4 | 6 | 2.5 | O=C(Cc1ccccn1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
| 1028 | 599 | 43 | None | -15 | 11 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/acs.jnatprod.9b00418 | ||
| 479 | 599 | 43 | None | -15 | 11 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/acs.jnatprod.9b00418 | ||
| 5816 | 599 | 43 | None | -15 | 11 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/acs.jnatprod.9b00418 | ||
| CHEMBL679 | 599 | 43 | None | -15 | 11 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/acs.jnatprod.9b00418 | ||
| DB00668 | 599 | 43 | None | -15 | 11 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/acs.jnatprod.9b00418 | ||
| 45101537 | 390048 | 0 | None | -1819 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 526 | 11 | 4 | 7 | 3.8 | CC(C)Oc1cc(-c2ccc(CCN[C@@H](C)[C@H](O)c3ccc(O)cc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1016/j.bmcl.2009.06.083 | ||
| CHEMBL551272 | 390048 | 0 | None | -1819 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 526 | 11 | 4 | 7 | 3.8 | CC(C)Oc1cc(-c2ccc(CCN[C@@H](C)[C@H](O)c3ccc(O)cc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1016/j.bmcl.2009.06.083 | ||
| 45483830 | 394095 | 0 | None | -14 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 329 | 7 | 4 | 4 | 2.8 | Cc1ccccc1CC(C)(C)NCC(O)c1ccc(O)c(CO)c1 | 10.1016/j.bmcl.2009.10.013 | ||
| CHEMBL566777 | 394095 | 0 | None | -14 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 329 | 7 | 4 | 4 | 2.8 | Cc1ccccc1CC(C)(C)NCC(O)c1ccc(O)c(CO)c1 | 10.1016/j.bmcl.2009.10.013 | ||
| 44237720 | 121028 | 0 | None | -91 | 2 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 530 | 9 | 6 | 5 | 4.4 | O=C(NCC12CC3CC(CC(C3)C1)C2)Nc1cccc(CCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.bmcl.2010.12.096 | ||
| CHEMBL1682220 | 121028 | 0 | None | -91 | 2 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 530 | 9 | 6 | 5 | 4.4 | O=C(NCC12CC3CC(CC(C3)C1)C2)Nc1cccc(CCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.bmcl.2010.12.096 | ||
| 145983355 | 330667 | 0 | None | -26 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 454 | 12 | 3 | 5 | 3.6 | CCc1ccccc1OC[C@@H](O)CNCCc1ccc(NS(=O)(=O)c2ccccc2)cc1 | 10.1016/j.ejmech.2018.03.032 | ||
| CHEMBL4248093 | 330667 | 0 | None | -26 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 454 | 12 | 3 | 5 | 3.6 | CCc1ccccc1OC[C@@H](O)CNCCc1ccc(NS(=O)(=O)c2ccccc2)cc1 | 10.1016/j.ejmech.2018.03.032 | ||
| 44268273 | 197402 | 0 | None | 17 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 476 | 11 | 4 | 6 | 3.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccccc1Cl | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL267306 | 197402 | 0 | None | 17 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 476 | 11 | 4 | 6 | 3.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccccc1Cl | 10.1016/s0960-894x(98)00169-3 | ||
| 44392190 | 137883 | 0 | None | 4 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 421 | 10 | 5 | 5 | 3.2 | O=C(Nc1ccccc1)Nc1ccc(C[C@H](O)NC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmcl.2004.11.001 | ||
| CHEMBL183211 | 137883 | 0 | None | 4 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 421 | 10 | 5 | 5 | 3.2 | O=C(Nc1ccccc1)Nc1ccc(C[C@H](O)NC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmcl.2004.11.001 | ||
| 9896742 | 469811 | 0 | None | 12 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 618 | 12 | 6 | 7 | 6.0 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3cc(OCC4NCCc5cc(O)c(O)cc54)ccc3c2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| CHEMBL76403 | 469811 | 0 | None | 12 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 618 | 12 | 6 | 7 | 6.0 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3cc(OCC4NCCc5cc(O)c(O)cc54)ccc3c2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| 66653268 | 179113 | 0 | None | 3311 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 491 | 14 | 4 | 6 | 3.8 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1cccc(Cl)c1 | 10.1021/jm400348g | ||
| CHEMBL2348201 | 179113 | 0 | None | 3311 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 491 | 14 | 4 | 6 | 3.8 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1cccc(Cl)c1 | 10.1021/jm400348g | ||
| 164622954 | 371765 | 0 | None | -245 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 400 | 7 | 4 | 4 | 3.9 | CC(C)(CCc1ccc(Cl)cc1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028726 | 371765 | 0 | None | -245 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 400 | 7 | 4 | 4 | 3.9 | CC(C)(CCc1ccc(Cl)cc1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| 164624634 | 371782 | 0 | None | -131 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 370 | 7 | 4 | 4 | 3.0 | CC(CCc1cccc(F)c1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028836 | 371782 | 0 | None | -131 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 370 | 7 | 4 | 4 | 3.0 | CC(CCc1cccc(F)c1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| 24822971 | 195816 | 0 | None | 3 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 429 | 8 | 3 | 3 | 5.2 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2Cl)cc1 | 10.1021/jm701324c | ||
| CHEMBL257106 | 195816 | 0 | None | 3 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 429 | 8 | 3 | 3 | 5.2 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2Cl)cc1 | 10.1021/jm701324c | ||
| 11134054 | 100251 | 0 | None | -2 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 444 | 10 | 4 | 6 | 4.1 | C[C@H](CNc1ccc(CC(=O)Nc2nccs2)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| CHEMBL154150 | 100251 | 0 | None | -2 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 444 | 10 | 4 | 6 | 4.1 | C[C@H](CNc1ccc(CC(=O)Nc2nccs2)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| 1499 | 4274 | 42 | None | 2 | 31 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2018.10.043 | ||
| 1499 | 4274 | 42 | None | 2 | 31 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.ejmech.2018.04.041 | ||
| 3779 | 4274 | 42 | None | 2 | 31 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2018.10.043 | ||
| 3779 | 4274 | 42 | None | 2 | 31 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.ejmech.2018.04.041 | ||
| 536 | 4274 | 42 | None | 2 | 31 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2018.10.043 | ||
| 536 | 4274 | 42 | None | 2 | 31 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.ejmech.2018.04.041 | ||
| CHEMBL434 | 4274 | 42 | None | 2 | 31 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2018.10.043 | ||
| CHEMBL434 | 4274 | 42 | None | 2 | 31 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.ejmech.2018.04.041 | ||
| DB01064 | 4274 | 42 | None | 2 | 31 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2018.10.043 | ||
| DB01064 | 4274 | 42 | None | 2 | 31 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.ejmech.2018.04.041 | ||
| 45484583 | 408587 | 0 | None | -3 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 456 | 10 | 6 | 7 | 2.0 | CC(C)(Cc1ccc(NC(=O)CCCN)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.06.104 | ||
| CHEMBL577702 | 408587 | 0 | None | -3 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 456 | 10 | 6 | 7 | 2.0 | CC(C)(Cc1ccc(NC(=O)CCCN)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.06.104 | ||
| 45484585 | 38018 | 0 | None | -3 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 556 | 13 | 6 | 7 | 1.9 | CC(C)(Cc1ccc(NC(=O)CCCNC(=O)C[N+](C)(C)C)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.06.104 | ||
| CHEMBL1197807 | 38018 | 0 | None | -3 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 556 | 13 | 6 | 7 | 1.9 | CC(C)(Cc1ccc(NC(=O)CCCNC(=O)C[N+](C)(C)C)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.06.104 | ||
| 24936626 | 41281 | 0 | None | -173 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 506 | 9 | 4 | 9 | 3.6 | OCc1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1257555 | 41281 | 0 | None | -173 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 506 | 9 | 4 | 9 | 3.6 | OCc1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | ||
| 45483814 | 394360 | 0 | None | -5 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 440 | 7 | 4 | 6 | 3.3 | CC(C)(Cc1ccc(OC(F)(F)F)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.10.013 | ||
| CHEMBL568531 | 394360 | 0 | None | -5 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 440 | 7 | 4 | 6 | 3.3 | CC(C)(Cc1ccc(OC(F)(F)F)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.10.013 | ||
| 44392212 | 333069 | 0 | None | 12 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 405 | 10 | 4 | 4 | 3.9 | O=C(Nc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmcl.2004.11.001 | ||
| CHEMBL434524 | 333069 | 0 | None | 12 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 405 | 10 | 4 | 4 | 3.9 | O=C(Nc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmcl.2004.11.001 | ||
| 56597179 | 179131 | 0 | None | 2754 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 473 | 14 | 5 | 7 | 2.9 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccc(O)cc1 | 10.1021/jm400348g | ||
| CHEMBL2348219 | 179131 | 0 | None | 2754 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 473 | 14 | 5 | 7 | 2.9 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccc(O)cc1 | 10.1021/jm400348g | ||
| 45483868 | 394314 | 0 | None | -6 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 424 | 6 | 4 | 5 | 3.4 | CC(C)(Cc1cccc(C(F)(F)F)c1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.10.013 | ||
| CHEMBL568273 | 394314 | 0 | None | -6 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 424 | 6 | 4 | 5 | 3.4 | CC(C)(Cc1cccc(C(F)(F)F)c1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.10.013 | ||
| 45483864 | 424631 | 0 | None | -9 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 424 | 6 | 4 | 5 | 3.4 | CC(C)(Cc1ccc(C(F)(F)F)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.10.013 | ||
| CHEMBL584498 | 424631 | 0 | None | -9 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 424 | 6 | 4 | 5 | 3.4 | CC(C)(Cc1ccc(C(F)(F)F)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.10.013 | ||
| 177640936 | 465149 | 0 | None | None | None | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 346 | 6 | 4 | 5 | 1.7 | O=C1COc2c(C(O)CNCCc3ccc(F)cc3)ccc(O)c2N1 | 10.1021/acs.jmedchem.3c02074 | ||
| CHEMBL6069307 | 465149 | 0 | None | None | None | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 346 | 6 | 4 | 5 | 1.7 | O=C1COc2c(C(O)CNCCc3ccc(F)cc3)ccc(O)c2N1 | 10.1021/acs.jmedchem.3c02074 | ||
| 177640579 | 465232 | 0 | None | -138 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 362 | 6 | 4 | 5 | 2.2 | O=C1COc2c(C(O)CNCCc3cccc(Cl)c3)ccc(O)c2N1 | 10.1021/acs.jmedchem.3c02074 | ||
| CHEMBL6070225 | 465232 | 0 | None | -138 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 362 | 6 | 4 | 5 | 2.2 | O=C1COc2c(C(O)CNCCc3cccc(Cl)c3)ccc(O)c2N1 | 10.1021/acs.jmedchem.3c02074 | ||
| 24823624 | 315014 | 0 | None | 1 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 410 | 9 | 4 | 4 | 4.6 | O=C(O)c1ccc(Nc2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm701324c | ||
| CHEMBL409827 | 315014 | 0 | None | 1 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 410 | 9 | 4 | 4 | 4.6 | O=C(O)c1ccc(Nc2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm701324c | ||
| 16049028 | 136417 | 0 | None | -50 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 462 | 14 | 4 | 7 | 3.7 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCSCCCOCCc3ccccc3)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
| CHEMBL1807819 | 136417 | 0 | None | -50 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 462 | 14 | 4 | 7 | 3.7 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCSCCCOCCc3ccccc3)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
| 11592062 | 221941 | 0 | None | -25 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 550 | 11 | 6 | 7 | 5.0 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1cccc(CN)c1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298325 | 221941 | 0 | None | -25 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 550 | 11 | 6 | 7 | 5.0 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1cccc(CN)c1 | 10.1016/j.bmcl.2014.04.095 | ||
| 24822645 | 195860 | 0 | None | -15 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 429 | 8 | 3 | 3 | 5.2 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)c(Cl)c1 | 10.1021/jm701324c | ||
| CHEMBL257297 | 195860 | 0 | None | -15 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 429 | 8 | 3 | 3 | 5.2 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)c(Cl)c1 | 10.1021/jm701324c | ||
| 45269866 | 390068 | 0 | None | 1 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 455 | 10 | 4 | 4 | 4.7 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(Cl)cc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL551389 | 390068 | 0 | None | 1 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 455 | 10 | 4 | 4 | 4.7 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(Cl)cc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| 45269025 | 392682 | 0 | None | -3 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 500 | 11 | 5 | 6 | 2.7 | NS(=O)(=O)c1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL561173 | 392682 | 0 | None | -3 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 500 | 11 | 5 | 6 | 2.7 | NS(=O)(=O)c1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| 45267257 | 393722 | 0 | None | -3 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 449 | 12 | 4 | 4 | 3.8 | O[C@@H](CNCCc1ccc(NC(=S)NCCc2ccccc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL564648 | 393722 | 0 | None | -3 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 449 | 12 | 4 | 4 | 3.8 | O[C@@H](CNCCc1ccc(NC(=S)NCCc2ccccc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| 10283146 | 216906 | 0 | None | -2 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 656 | 12 | 5 | 9 | 3.1 | CS(=O)(=O)Nc1cc([C@@H](O)CNCC2CCN(S(=O)(=O)c3ccc(-n4cc(CC(=O)O)c5ccccc54)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00608-x | ||
| CHEMBL317003 | 216906 | 0 | None | -2 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 656 | 12 | 5 | 9 | 3.1 | CS(=O)(=O)Nc1cc([C@@H](O)CNCC2CCN(S(=O)(=O)c3ccc(-n4cc(CC(=O)O)c5ccccc54)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00608-x | ||
| 1960 | 5823 | 49 | None | -741 | 15 | Guinea pig | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
| 439260 | 5823 | 49 | None | -741 | 15 | Guinea pig | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
| 505 | 5823 | 49 | None | -741 | 15 | Guinea pig | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
| 6921840 | 5823 | 49 | None | -741 | 15 | Guinea pig | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
| CHEMBL1437 | 5823 | 49 | None | -741 | 15 | Guinea pig | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
| DB00368 | 5823 | 49 | None | -741 | 15 | Guinea pig | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
| 164623583 | 371773 | 0 | None | -316 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 352 | 7 | 4 | 4 | 2.8 | Cc1ccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028767 | 371773 | 0 | None | -316 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 352 | 7 | 4 | 4 | 2.8 | Cc1ccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1016/j.ejmech.2021.113697 | ||
| 24822970 | 314000 | 0 | None | -9 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 409 | 9 | 3 | 3 | 4.5 | O=C(O)Cc1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm701324c | ||
| CHEMBL408694 | 314000 | 0 | None | -9 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 409 | 9 | 3 | 3 | 4.5 | O=C(O)Cc1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm701324c | ||
| 11224220 | 347085 | 0 | None | -2137 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 431 | 10 | 3 | 3 | 5.5 | CC(C)Cc1cc(-c2ccc(CCN[C@@H](C)[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL451760 | 347085 | 0 | None | -2137 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 431 | 10 | 3 | 3 | 5.5 | CC(C)Cc1cc(-c2ccc(CCN[C@@H](C)[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 172745 | 200298 | 2 | None | 234 | 2 | Guinea pig | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NCC(O)c1ccc(O)c(O)c1F | 10.1021/jm00118a019 | ||
| CHEMBL287587 | 200298 | 2 | None | 234 | 2 | Guinea pig | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NCC(O)c1ccc(O)c(O)c1F | 10.1021/jm00118a019 | ||
| 44268268 | 42512 | 1 | None | -234 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 493 | 11 | 4 | 7 | 3.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1cnc2ccccc2c1 | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL12769 | 42512 | 1 | None | -234 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 493 | 11 | 4 | 7 | 3.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1cnc2ccccc2c1 | 10.1016/s0960-894x(98)00169-3 | ||
| 172462257 | 389030 | 0 | None | -2 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 459 | 10 | 2 | 5 | 5.0 | CC1(C)CC(=O)c2ccc(OC[C@@H](O)CNCCC(c3ccccc3)c3ccccc3)cc2O1 | 10.1016/j.ejmech.2022.114961 | ||
| CHEMBL5430355 | 389030 | 0 | None | -2 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 459 | 10 | 2 | 5 | 5.0 | CC1(C)CC(=O)c2ccc(OC[C@@H](O)CNCCC(c3ccccc3)c3ccccc3)cc2O1 | 10.1016/j.ejmech.2022.114961 | ||
| 172446785 | 387485 | 0 | None | -2 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 389 | 11 | 2 | 3 | 4.8 | CCc1ccccc1OC[C@@H](O)CNCCC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2022.114961 | ||
| CHEMBL5397120 | 387485 | 0 | None | -2 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 389 | 11 | 2 | 3 | 4.8 | CCc1ccccc1OC[C@@H](O)CNCCC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2022.114961 | ||
| 16049377 | 136430 | 0 | None | -63 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 465 | 13 | 5 | 7 | 2.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCOCCCNCCc3cccc(Cl)c3)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
| CHEMBL1807832 | 136430 | 0 | None | -63 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 465 | 13 | 5 | 7 | 2.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCOCCCNCCc3cccc(Cl)c3)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
| 56665368 | 138751 | 0 | None | -31 | 4 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 501 | 18 | 6 | 6 | 4.2 | CCNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1852119 | 138751 | 0 | None | -31 | 4 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 501 | 18 | 6 | 6 | 4.2 | CCNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.08.043 | ||
| 56672271 | 138831 | 0 | None | -125 | 4 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 530 | 19 | 7 | 7 | 2.7 | NC(=O)CNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1852407 | 138831 | 0 | None | -125 | 4 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 530 | 19 | 7 | 7 | 2.7 | NC(=O)CNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.08.043 | ||
| 56672269 | 138877 | 0 | None | -50 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 515 | 19 | 6 | 6 | 3.9 | CCNC(=O)NCc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1852564 | 138877 | 0 | None | -50 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 515 | 19 | 6 | 6 | 3.9 | CCNC(=O)NCc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.08.043 | ||
| 56658405 | 138878 | 0 | None | -63 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 501 | 18 | 6 | 6 | 4.2 | CCNC(=O)Nc1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1852565 | 138878 | 0 | None | -63 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 501 | 18 | 6 | 6 | 4.2 | CCNC(=O)Nc1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 | 10.1016/j.bmc.2011.08.043 | ||
| 46832505 | 38150 | 1 | None | -12 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 417 | 16 | 4 | 6 | 3.3 | OCc1cc([C@@H](O)CNCCCCCCOCCOCc2ccccc2)ccc1O | 10.1021/jm100326d | ||
| CHEMBL1199261 | 38150 | 1 | None | -12 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 417 | 16 | 4 | 6 | 3.3 | OCc1cc([C@@H](O)CNCCCCCCOCCOCc2ccccc2)ccc1O | 10.1021/jm100326d | ||
| 46889854 | 21628 | 0 | None | 1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 446 | 7 | 2 | 4 | 4.8 | O=C(c1ccc(F)cc1)C1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1 | 10.1016/j.bmcl.2010.04.009 | ||
| CHEMBL1086077 | 21628 | 0 | None | 1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 446 | 7 | 2 | 4 | 4.8 | O=C(c1ccc(F)cc1)C1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1 | 10.1016/j.bmcl.2010.04.009 | ||
| 24949728 | 349254 | 0 | None | -436 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 479 | 8 | 3 | 4 | 5.7 | CC(C)Oc1cc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)cc2)CC3)ccc1C(=O)O | 10.1021/jm800222k | ||
| CHEMBL457199 | 349254 | 0 | None | -436 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 479 | 8 | 3 | 4 | 5.7 | CC(C)Oc1cc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)cc2)CC3)ccc1C(=O)O | 10.1021/jm800222k | ||
| 44127679 | 390304 | 0 | None | -37 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 422 | 11 | 4 | 7 | 1.9 | O=C(Cc1cnccn1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| CHEMBL552497 | 390304 | 0 | None | -37 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 422 | 11 | 4 | 7 | 1.9 | O=C(Cc1cnccn1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| 172454272 | 388351 | 0 | None | None | None | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 359 | 7 | 2 | 7 | 1.6 | O[C@@H](CNCC1COc2ccccc2O1)COc1ccc2c(c1)OCO2 | 10.1016/j.ejmech.2022.114961 | ||
| CHEMBL5415148 | 388351 | 0 | None | None | None | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 359 | 7 | 2 | 7 | 1.6 | O[C@@H](CNCC1COc2ccccc2O1)COc1ccc2c(c1)OCO2 | 10.1016/j.ejmech.2022.114961 | ||
| 9891927 | 365841 | 9 | None | -1995 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| CHEMBL483201 | 365841 | 9 | None | -1995 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| 9891927 | 365841 | 9 | None | -1995 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm100326d | ||
| CHEMBL483201 | 365841 | 9 | None | -1995 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm100326d | ||
| 44331302 | 475154 | 0 | None | -630 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 667 | 12 | 6 | 8 | 3.1 | CS(=O)(=O)Nc1cc([C@@H](O)CNCC2CCN(S(=O)(=O)c3ccc(NC(=O)NCc4cc(F)ccc4F)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00608-x | ||
| CHEMBL99219 | 475154 | 0 | None | -630 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 667 | 12 | 6 | 8 | 3.1 | CS(=O)(=O)Nc1cc([C@@H](O)CNCC2CCN(S(=O)(=O)c3ccc(NC(=O)NCc4cc(F)ccc4F)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00608-x | ||
| 11661536 | 157635 | 0 | None | -50 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 411 | 9 | 4 | 5 | 3.8 | O=C(O)c1cncc(-c2cccc(NCCNC[C@H](O)c3cccc(Cl)c3)c2)c1 | 10.1021/jm0509445 | ||
| CHEMBL205389 | 157635 | 0 | None | -50 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 411 | 9 | 4 | 5 | 3.8 | O=C(O)c1cncc(-c2cccc(NCCNC[C@H](O)c3cccc(Cl)c3)c2)c1 | 10.1021/jm0509445 | ||
| 145987415 | 332040 | 0 | None | -1258 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 358 | 6 | 4 | 4 | 2.8 | O=c1ccc2c(C(CO)NCCc3cccc(Cl)c3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2018.04.041 | ||
| CHEMBL4292648 | 332040 | 0 | None | -1258 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 358 | 6 | 4 | 4 | 2.8 | O=c1ccc2c(C(CO)NCCc3cccc(Cl)c3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2018.04.041 | ||
| 24895192 | 372969 | 0 | None | -151 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 437 | 10 | 3 | 4 | 4.8 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cccc(F)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL516804 | 372969 | 0 | None | -151 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 437 | 10 | 3 | 4 | 4.8 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cccc(F)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 42639969 | 26840 | 0 | None | -1584 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 496 | 11 | 4 | 7 | 3.1 | CC(C)Nc1cc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| CHEMBL1186809 | 26840 | 0 | None | -1584 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 496 | 11 | 4 | 7 | 3.1 | CC(C)Nc1cc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| 16118894 | 4572 | 6 | None | -199 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 568 | 11 | 4 | 6 | 3.4 | O[C@H](COc1ccc(cc1)O)CNCCc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)I | 10.1016/s0960-894x(98)00169-3 | ||
| 3467 | 4572 | 6 | None | -199 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 568 | 11 | 4 | 6 | 3.4 | O[C@H](COc1ccc(cc1)O)CNCCc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)I | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL276257 | 4572 | 6 | None | -199 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 568 | 11 | 4 | 6 | 3.4 | O[C@H](COc1ccc(cc1)O)CNCCc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)I | 10.1016/s0960-894x(98)00169-3 | ||
| 45483815 | 408174 | 0 | None | -11 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 400 | 7 | 5 | 6 | 2.1 | CC(C)(Cc1ccc(C(=O)O)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.10.013 | ||
| CHEMBL577289 | 408174 | 0 | None | -11 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 400 | 7 | 5 | 6 | 2.1 | CC(C)(Cc1ccc(C(=O)O)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.10.013 | ||
| 11504295 | 5953 | 40 | None | -870 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | 10.1021/acs.jmedchem.3c02074 | ||
| 4814 | 5953 | 40 | None | -870 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | 10.1021/acs.jmedchem.3c02074 | ||
| 7543 | 5953 | 40 | None | -870 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | 10.1021/acs.jmedchem.3c02074 | ||
| CHEMBL605846 | 5953 | 40 | None | -870 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | 10.1021/acs.jmedchem.3c02074 | ||
| DB09080 | 5953 | 40 | None | -870 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | 10.1021/acs.jmedchem.3c02074 | ||
| 44574721 | 352464 | 0 | None | 1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 419 | 11 | 3 | 5 | 3.1 | Cc1cccnc1CC(=O)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
| CHEMBL466924 | 352464 | 0 | None | 1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 419 | 11 | 3 | 5 | 3.1 | Cc1cccnc1CC(=O)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
| 24950238 | 348984 | 0 | None | -69 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 437 | 7 | 3 | 4 | 5.0 | O=C(O)c1cccc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)cc2)CC3)c1 | 10.1021/jm800222k | ||
| CHEMBL456578 | 348984 | 0 | None | -69 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 437 | 7 | 3 | 4 | 5.0 | O=C(O)c1cccc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)cc2)CC3)c1 | 10.1021/jm800222k | ||
| 45270697 | 389914 | 0 | None | -20 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 451 | 11 | 4 | 5 | 4.1 | COc1ccccc1NC(=S)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL550444 | 389914 | 0 | None | -20 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 451 | 11 | 4 | 5 | 4.1 | COc1ccccc1NC(=S)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| 24949568 | 372801 | 0 | None | -338 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 536 | 9 | 4 | 6 | 5.6 | O=C(O)c1cc(NC2CCOCC2)cc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)c1 | 10.1021/jm800222k | ||
| CHEMBL515349 | 372801 | 0 | None | -338 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 536 | 9 | 4 | 6 | 5.6 | O=C(O)c1cc(NC2CCOCC2)cc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)c1 | 10.1021/jm800222k | ||
| 10075383 | 197425 | 0 | None | -436 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 520 | 11 | 4 | 6 | 3.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccc(Br)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL267545 | 197425 | 0 | None | -436 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 520 | 11 | 4 | 6 | 3.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccc(Br)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| 46232768 | 432532 | 0 | None | -14 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 356 | 6 | 4 | 5 | 2.4 | CC(C)(Cc1ccccc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
| CHEMBL592879 | 432532 | 0 | None | -14 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 356 | 6 | 4 | 5 | 2.4 | CC(C)(Cc1ccccc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
| 164624092 | 371778 | 0 | None | -794 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 442 | 10 | 4 | 7 | 2.9 | COc1cc(CCC(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc(OC)c1OC | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028807 | 371778 | 0 | None | -794 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 442 | 10 | 4 | 7 | 2.9 | COc1cc(CCC(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc(OC)c1OC | 10.1016/j.ejmech.2021.113697 | ||
| 145986105 | 330253 | 0 | None | -25 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 429 | 10 | 4 | 4 | 4.0 | O=C(Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]ccc23)cc1)c1ccccc1 | 10.1016/j.ejmech.2018.03.032 | ||
| CHEMBL4237453 | 330253 | 0 | None | -25 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 429 | 10 | 4 | 4 | 4.0 | O=C(Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]ccc23)cc1)c1ccccc1 | 10.1016/j.ejmech.2018.03.032 | ||
| 44219641 | 352353 | 0 | None | -5 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 498 | 13 | 3 | 6 | 4.1 | CC(Cc1ccc(NC(=O)Cc2nccn2Cc2ccccc2)cc1)NC[C@H](O)COc1ccccc1 | 10.1016/j.bmc.2009.03.044 | ||
| CHEMBL466088 | 352353 | 0 | None | -5 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 498 | 13 | 3 | 6 | 4.1 | CC(Cc1ccc(NC(=O)Cc2nccn2Cc2ccccc2)cc1)NC[C@H](O)COc1ccccc1 | 10.1016/j.bmc.2009.03.044 | ||
| 24822815 | 198241 | 0 | None | -588 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 467 | 11 | 3 | 4 | 5.6 | CC(C)COc1cc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm701324c | ||
| CHEMBL272583 | 198241 | 0 | None | -588 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 467 | 11 | 3 | 4 | 5.6 | CC(C)COc1cc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm701324c | ||
| 44127678 | 393085 | 0 | None | -2 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 471 | 11 | 4 | 6 | 3.7 | O=C(Cc1cc2ccccc2cn1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| CHEMBL562153 | 393085 | 0 | None | -2 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 471 | 11 | 4 | 6 | 3.7 | O=C(Cc1cc2ccccc2cn1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| 1960 | 5823 | 49 | None | -741 | 15 | Guinea pig | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00118a019 | ||
| 439260 | 5823 | 49 | None | -741 | 15 | Guinea pig | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00118a019 | ||
| 505 | 5823 | 49 | None | -741 | 15 | Guinea pig | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00118a019 | ||
| 6921840 | 5823 | 49 | None | -741 | 15 | Guinea pig | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00118a019 | ||
| CHEMBL1437 | 5823 | 49 | None | -741 | 15 | Guinea pig | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00118a019 | ||
| DB00368 | 5823 | 49 | None | -741 | 15 | Guinea pig | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00118a019 | ||
| 10275157 | 19713 | 0 | None | -7 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 442 | 10 | 5 | 6 | 2.2 | CNC(=O)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
| CHEMBL107012 | 19713 | 0 | None | -7 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 442 | 10 | 5 | 6 | 2.2 | CNC(=O)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
| 10283539 | 332625 | 0 | None | -354 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 697 | 14 | 6 | 9 | 2.8 | CS(=O)(=O)Nc1cc(OC[C@@H](O)CNCC2CCN(S(=O)(=O)c3ccc(NC(=O)NCc4cc(F)ccc4F)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00607-8 | ||
| CHEMBL431048 | 332625 | 0 | None | -354 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 697 | 14 | 6 | 9 | 2.8 | CS(=O)(=O)Nc1cc(OC[C@@H](O)CNCC2CCN(S(=O)(=O)c3ccc(NC(=O)NCc4cc(F)ccc4F)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00607-8 | ||
| 9800339 | 443169 | 9 | None | -251 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(CC(C)(C)NCC(O)c2cc(O)cc3c2OCC(=O)N3)cc1 | 10.1016/j.bmcl.2009.12.087 | ||
| CHEMBL603271 | 443169 | 9 | None | -251 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(CC(C)(C)NCC(O)c2cc(O)cc3c2OCC(=O)N3)cc1 | 10.1016/j.bmcl.2009.12.087 | ||
| 24823626 | 198344 | 0 | None | -6 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 410 | 9 | 4 | 4 | 4.6 | O=C(O)c1cccc(Nc2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)c1 | 10.1021/jm701324c | ||
| CHEMBL273098 | 198344 | 0 | None | -6 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 410 | 9 | 4 | 4 | 4.6 | O=C(O)c1cccc(Nc2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)c1 | 10.1021/jm701324c | ||
| 155557083 | 348588 | 0 | None | -724 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 354 | 7 | 5 | 5 | 2.2 | O=c1ccc2c(C(O)CNCCCc3ccc(O)cc3)ccc(O)c2[nH]1 | 10.1016/j.bmc.2018.10.043 | ||
| CHEMBL4556022 | 348588 | 0 | None | -724 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 354 | 7 | 5 | 5 | 2.2 | O=c1ccc2c(C(O)CNCCCc3ccc(O)cc3)ccc(O)c2[nH]1 | 10.1016/j.bmc.2018.10.043 | ||
| 145982607 | 330589 | 0 | None | -4 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 432 | 12 | 3 | 4 | 4.0 | CCc1ccccc1OC[C@@H](O)CNCCc1ccc(NC(=O)Cc2ccccc2)cc1 | 10.1016/j.ejmech.2018.03.032 | ||
| CHEMBL4245968 | 330589 | 0 | None | -4 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 432 | 12 | 3 | 4 | 4.0 | CCc1ccccc1OC[C@@H](O)CNCCc1ccc(NC(=O)Cc2ccccc2)cc1 | 10.1016/j.ejmech.2018.03.032 | ||
| 24949566 | 348903 | 1 | None | -281 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 494 | 8 | 4 | 5 | 5.0 | CC(=O)Nc1cc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)cc(C(=O)O)c1 | 10.1021/jm800222k | ||
| CHEMBL456353 | 348903 | 1 | None | -281 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 494 | 8 | 4 | 5 | 5.0 | CC(=O)Nc1cc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)cc(C(=O)O)c1 | 10.1021/jm800222k | ||
| 1862 | 329 | 10 | None | None | None | Guinea pig | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NCC(c1cc(O)c(cc1F)O)O | 10.1021/jm00118a019 | ||
| 510 | 329 | 10 | None | None | None | Guinea pig | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NCC(c1cc(O)c(cc1F)O)O | 10.1021/jm00118a019 | ||
| CHEMBL281232 | 329 | 10 | None | None | None | Guinea pig | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NCC(c1cc(O)c(cc1F)O)O | 10.1021/jm00118a019 | ||
| 24824079 | 27156 | 0 | None | 1 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 441 | 11 | 3 | 5 | 4.5 | O=C(O)COc1ccc(Oc2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm701324c | ||
| CHEMBL1188934 | 27156 | 0 | None | 1 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 441 | 11 | 3 | 5 | 4.5 | O=C(O)COc1ccc(Oc2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm701324c | ||
| 24895357 | 369567 | 0 | None | -194 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 467 | 10 | 3 | 4 | 5.7 | CC(C)Oc1cc(-c2ccc(C[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL487443 | 369567 | 0 | None | -194 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 467 | 10 | 3 | 4 | 5.7 | CC(C)Oc1cc(-c2ccc(C[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 42639965 | 26984 | 0 | None | -691 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 534 | 11 | 3 | 5 | 5.0 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1CC1CCCCC1 | 10.1021/jm9000709 | ||
| CHEMBL1187643 | 26984 | 0 | None | -691 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 534 | 11 | 3 | 5 | 5.0 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1CC1CCCCC1 | 10.1021/jm9000709 | ||
| 44457929 | 175734 | 0 | None | -58 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 593 | 17 | 3 | 10 | 3.9 | CCCCCCCCn1nnn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00182-1 | ||
| CHEMBL22318 | 175734 | 0 | None | -58 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 593 | 17 | 3 | 10 | 3.9 | CCCCCCCCn1nnn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00182-1 | ||
| 2419 | 7043 | 56 | None | -1445 | 5 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.ejmech.2021.113697 | ||
| 5152 | 7043 | 56 | None | -1445 | 5 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.ejmech.2021.113697 | ||
| 559 | 7043 | 56 | None | -1445 | 5 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL1263 | 7043 | 56 | None | -1445 | 5 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.ejmech.2021.113697 | ||
| DB00938 | 7043 | 56 | None | -1445 | 5 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.ejmech.2021.113697 | ||
| 24823130 | 198007 | 0 | None | -38 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 413 | 8 | 3 | 3 | 4.7 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1F | 10.1021/jm701324c | ||
| CHEMBL271367 | 198007 | 0 | None | -38 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 413 | 8 | 3 | 3 | 4.7 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1F | 10.1021/jm701324c | ||
| 44580011 | 370063 | 0 | None | -52 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 468 | 10 | 4 | 5 | 4.7 | CC(=O)Nc1ccc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc1C(=O)O | 10.1016/j.bmcl.2008.08.009 | ||
| CHEMBL489200 | 370063 | 0 | None | -52 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 468 | 10 | 4 | 5 | 4.7 | CC(=O)Nc1ccc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc1C(=O)O | 10.1016/j.bmcl.2008.08.009 | ||
| 10028830 | 7965 | 32 | None | -79 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 497 | 13 | 4 | 6 | 2.7 | CC(=O)NCC1=CC(=CC=C1)OC[C@H](CNCCC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)O | 10.1016/j.ejmech.2022.114961 | ||
| 13196 | 7965 | 32 | None | -79 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 497 | 13 | 4 | 6 | 2.7 | CC(=O)NCC1=CC(=CC=C1)OC[C@H](CNCCC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)O | 10.1016/j.ejmech.2022.114961 | ||
| CHEMBL4238084 | 7965 | 32 | None | -79 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 497 | 13 | 4 | 6 | 2.7 | CC(=O)NCC1=CC(=CC=C1)OC[C@H](CNCCC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)O | 10.1016/j.ejmech.2022.114961 | ||
| 9997789 | 369573 | 1 | None | -107 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 310 | 3 | 3 | 3 | 3.4 | CC(C)(C)NC(CO)c1cc(Cl)c(N)c(C(F)(F)F)c1 | 10.1021/acs.jmedchem.0c01195 | ||
| CHEMBL4874511 | 369573 | 1 | None | -107 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 310 | 3 | 3 | 3 | 3.4 | CC(C)(C)NC(CO)c1cc(Cl)c(N)c(C(F)(F)F)c1 | 10.1021/acs.jmedchem.0c01195 | ||
| 24895263 | 387029 | 0 | None | -1122 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 475 | 10 | 4 | 6 | 4.6 | Nc1ccc([C@@H](O)CNCCc2ccc(-c3ccc(C(=O)O)c(OC4CCCCC4)c3)cc2)cn1 | 10.1021/jm8000345 | ||
| CHEMBL529659 | 387029 | 0 | None | -1122 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 475 | 10 | 4 | 6 | 4.6 | Nc1ccc([C@@H](O)CNCCc2ccc(-c3ccc(C(=O)O)c(OC4CCCCC4)c3)cc2)cn1 | 10.1021/jm8000345 | ||
| 44591508 | 352895 | 0 | None | -1122 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 475 | 10 | 4 | 6 | 4.6 | Nc1ccncc1[C@@H](O)CNCCc1ccc(-c2ccc(C(=O)O)c(OC3CCCCC3)c2)cc1 | 10.1021/jm9000709 | ||
| CHEMBL470857 | 352895 | 0 | None | -1122 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 475 | 10 | 4 | 6 | 4.6 | Nc1ccncc1[C@@H](O)CNCCc1ccc(-c2ccc(C(=O)O)c(OC3CCCCC3)c2)cc1 | 10.1021/jm9000709 | ||
| 319 | 7908 | 34 | None | -39 | 5 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2011.05.097 | ||
| 444031 | 7908 | 34 | None | -39 | 5 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2011.05.097 | ||
| 784 | 7908 | 34 | None | -39 | 5 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2011.05.097 | ||
| CHEMBL1346 | 7908 | 34 | None | -39 | 5 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2011.05.097 | ||
| 56670158 | 136428 | 0 | None | -7 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 497 | 13 | 5 | 7 | 2.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCC[S+]([O-])CCCNCCc3cccc(Cl)c3)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
| CHEMBL1807830 | 136428 | 0 | None | -7 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 497 | 13 | 5 | 7 | 2.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCC[S+]([O-])CCCNCCc3cccc(Cl)c3)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
| 16049309 | 136432 | 0 | None | -100 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 481 | 13 | 5 | 7 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCSCCNCCc3ccccc3Cl)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
| CHEMBL1807870 | 136432 | 0 | None | -100 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 481 | 13 | 5 | 7 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCSCCNCCc3ccccc3Cl)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
| 56663238 | 136434 | 0 | None | -199 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 465 | 13 | 5 | 7 | 2.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCOCCNCCc3cccc(Cl)c3)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
| CHEMBL1807872 | 136434 | 0 | None | -199 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 465 | 13 | 5 | 7 | 2.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCOCCNCCc3cccc(Cl)c3)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
| 1239 | 3447 | 41 | None | -67 | 5 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmc.2011.05.064 | ||
| 3410 | 3447 | 41 | None | -67 | 5 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmc.2011.05.064 | ||
| 3465 | 3447 | 41 | None | -67 | 5 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1256786 | 3447 | 41 | None | -67 | 5 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmc.2011.05.064 | ||
| DB00983 | 3447 | 41 | None | -67 | 5 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmc.2011.05.064 | ||
| 3083544 | 57618 | 28 | None | -138 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1016/j.bmc.2011.08.043 | ||
| 4943 | 57618 | 28 | None | -138 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1363 | 57618 | 28 | None | -138 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1016/j.bmc.2011.08.043 | ||
| DB00983 | 57618 | 28 | None | -138 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1016/j.bmc.2011.08.043 | ||
| DB01274 | 57618 | 28 | None | -138 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1016/j.bmc.2011.08.043 | ||
| 10288976 | 138870 | 0 | None | -251 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 487 | 17 | 6 | 6 | 3.9 | Cc1cc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc(NC(N)=O)c1 | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1852543 | 138870 | 0 | None | -251 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 487 | 17 | 6 | 6 | 3.9 | Cc1cc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc(NC(N)=O)c1 | 10.1016/j.bmc.2011.08.043 | ||
| 1239 | 3447 | 41 | None | -67 | 5 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1021/jm801016j | ||
| 3410 | 3447 | 41 | None | -67 | 5 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1021/jm801016j | ||
| 3465 | 3447 | 41 | None | -67 | 5 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1021/jm801016j | ||
| CHEMBL1256786 | 3447 | 41 | None | -67 | 5 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1021/jm801016j | ||
| DB00983 | 3447 | 41 | None | -67 | 5 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1021/jm801016j | ||
| 3083544 | 57618 | 28 | None | -138 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1021/jm100326d | ||
| 4943 | 57618 | 28 | None | -138 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1021/jm100326d | ||
| CHEMBL1363 | 57618 | 28 | None | -138 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1021/jm100326d | ||
| DB00983 | 57618 | 28 | None | -138 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1021/jm100326d | ||
| DB01274 | 57618 | 28 | None | -138 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1021/jm100326d | ||
| 49861320 | 117807 | 0 | None | -6 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 426 | 11 | 3 | 5 | 3.1 | O=S(=O)(Nc1ccccc1)c1ccc(CCNC[C@@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL1615579 | 117807 | 0 | None | -6 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 426 | 11 | 3 | 5 | 3.1 | O=S(=O)(Nc1ccccc1)c1ccc(CCNC[C@@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| 44565932 | 370266 | 0 | None | -4897 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 528 | 11 | 4 | 8 | 3.4 | CC(C)Sc1cc(-c2ccc(CCNC[C@H](O)c3cnccc3N)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| CHEMBL490733 | 370266 | 0 | None | -4897 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 528 | 11 | 4 | 8 | 3.4 | CC(C)Sc1cc(-c2ccc(CCNC[C@H](O)c3cnccc3N)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| 10305108 | 220945 | 0 | None | -77 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 659 | 17 | 6 | 8 | 4.2 | CCCCCCCCNC(=O)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3ccc(O)c4c3CCC(=O)N4)CC2)cc1 | 10.1016/s0960-894x(02)00607-8 | ||
| CHEMBL327519 | 220945 | 0 | None | -77 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 659 | 17 | 6 | 8 | 4.2 | CCCCCCCCNC(=O)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3ccc(O)c4c3CCC(=O)N4)CC2)cc1 | 10.1016/s0960-894x(02)00607-8 | ||
| 44441233 | 294747 | 0 | None | -100 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 415 | 9 | 4 | 6 | 3.8 | C[C@H](CNc1cccc(-c2ocnc2C(=O)O)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| CHEMBL393471 | 294747 | 0 | None | -100 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 415 | 9 | 4 | 6 | 3.8 | C[C@H](CNc1cccc(-c2ocnc2C(=O)O)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| 10184665 | 8655 | 40 | None | -44 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1016/j.bmc.2011.08.043 | ||
| 4799 | 8655 | 40 | None | -44 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1016/j.bmc.2011.08.043 | ||
| 7353 | 8655 | 40 | None | -44 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1198857 | 8655 | 40 | None | -44 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1016/j.bmc.2011.08.043 | ||
| DB09082 | 8655 | 40 | None | -44 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1016/j.bmc.2011.08.043 | ||
| 10184665 | 8655 | 40 | None | -44 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1021/jm100326d | ||
| 4799 | 8655 | 40 | None | -44 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1021/jm100326d | ||
| 7353 | 8655 | 40 | None | -44 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1021/jm100326d | ||
| CHEMBL1198857 | 8655 | 40 | None | -44 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1021/jm100326d | ||
| DB09082 | 8655 | 40 | None | -44 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1021/jm100326d | ||
| 11038599 | 101128 | 0 | None | -25 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 516 | 11 | 5 | 6 | 3.7 | C[C@H](CNc1cccc(CNC(=O)NS(=O)(=O)c2ccccc2)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| CHEMBL154906 | 101128 | 0 | None | -25 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 516 | 11 | 5 | 6 | 3.7 | C[C@H](CNc1cccc(CNC(=O)NS(=O)(=O)c2ccccc2)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| 9512 | 7386 | 37 | None | -1202 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 410 | 9 | 4 | 4 | 4.4 | Clc1cccc(c1)[C@H](CNCCNc1cccc(c1)c1cccc(c1)C(=O)O)O | 10.1021/jm0509445 | ||
| 9887812 | 7386 | 37 | None | -1202 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 410 | 9 | 4 | 4 | 4.4 | Clc1cccc(c1)[C@H](CNCCNc1cccc(c1)c1cccc(c1)C(=O)O)O | 10.1021/jm0509445 | ||
| CHEMBL208427 | 7386 | 37 | None | -1202 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 410 | 9 | 4 | 4 | 4.4 | Clc1cccc(c1)[C@H](CNCCNc1cccc(c1)c1cccc(c1)C(=O)O)O | 10.1021/jm0509445 | ||
| DB06190 | 7386 | 37 | None | -1202 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 410 | 9 | 4 | 4 | 4.4 | Clc1cccc(c1)[C@H](CNCCNc1cccc(c1)c1cccc(c1)C(=O)O)O | 10.1021/jm0509445 | ||
| 44441236 | 193842 | 0 | None | -3162 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 416 | 9 | 4 | 5 | 4.5 | O=C(O)c1ccsc1-c1cccc(NCCNC[C@H](O)c2cccc(Cl)c2)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| CHEMBL245875 | 193842 | 0 | None | -3162 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 416 | 9 | 4 | 5 | 4.5 | O=C(O)c1ccsc1-c1cccc(NCCNC[C@H](O)c2cccc(Cl)c2)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| 10298567 | 138247 | 0 | None | -5 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 465 | 12 | 5 | 6 | 3.3 | COc1cccc(NC(=O)Nc2ccc(C[C@@H](CO)NC[C@H](O)COc3ccccc3)cc2)c1 | 10.1016/j.bmcl.2004.11.001 | ||
| CHEMBL183611 | 138247 | 0 | None | -5 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 465 | 12 | 5 | 6 | 3.3 | COc1cccc(NC(=O)Nc2ccc(C[C@@H](CO)NC[C@H](O)COc3ccccc3)cc2)c1 | 10.1016/j.bmcl.2004.11.001 | ||
| 177640897 | 465241 | 0 | None | -354 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 346 | 6 | 4 | 5 | 1.7 | O=C1COc2c(C(O)CNCCc3ccccc3F)ccc(O)c2N1 | 10.1021/acs.jmedchem.3c02074 | ||
| CHEMBL6070257 | 465241 | 0 | None | -354 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 346 | 6 | 4 | 5 | 1.7 | O=C1COc2c(C(O)CNCCc3ccccc3F)ccc(O)c2N1 | 10.1021/acs.jmedchem.3c02074 | ||
| 164625303 | 371785 | 0 | None | -316 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 366 | 7 | 4 | 4 | 3.2 | Cc1cccc(CCC(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028871 | 371785 | 0 | None | -316 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 366 | 7 | 4 | 4 | 3.2 | Cc1cccc(CCC(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.ejmech.2021.113697 | ||
| 164623918 | 371775 | 0 | None | -199 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 374 | 7 | 4 | 4 | 2.8 | O=c1ccc2c(C(O)CNCCCc3cc(F)cc(F)c3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028793 | 371775 | 0 | None | -199 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 374 | 7 | 4 | 4 | 2.8 | O=c1ccc2c(C(O)CNCCCc3cc(F)cc(F)c3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2021.113697 | ||
| 164608750 | 371662 | 0 | None | -181 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 356 | 7 | 4 | 4 | 2.6 | O=c1ccc2c(C(O)CNCCCc3cccc(F)c3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5027923 | 371662 | 0 | None | -181 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 356 | 7 | 4 | 4 | 2.6 | O=c1ccc2c(C(O)CNCCCc3cccc(F)c3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2021.113697 | ||
| 164615474 | 371711 | 0 | None | -61 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 386 | 7 | 4 | 4 | 3.5 | CC(CCc1cccc(Cl)c1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028315 | 371711 | 0 | None | -61 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 386 | 7 | 4 | 4 | 3.5 | CC(CCc1cccc(Cl)c1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| 164617688 | 371725 | 0 | None | -416 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 368 | 7 | 5 | 5 | 2.6 | CC(CCc1ccc(O)cc1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028449 | 371725 | 0 | None | -416 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 368 | 7 | 5 | 5 | 2.6 | CC(CCc1ccc(O)cc1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| 56598967 | 179123 | 0 | None | 2238 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 457 | 14 | 4 | 6 | 3.2 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccccc1 | 10.1021/jm400348g | ||
| CHEMBL2348211 | 179123 | 0 | None | 2238 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 457 | 14 | 4 | 6 | 3.2 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccccc1 | 10.1021/jm400348g | ||
| 45101520 | 413681 | 0 | None | -3 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 513 | 12 | 7 | 8 | 1.2 | CC(C)(Cc1ccc(NC(=O)CCCNC(=O)CN)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.06.104 | ||
| CHEMBL583235 | 413681 | 0 | None | -3 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 513 | 12 | 7 | 8 | 1.2 | CC(C)(Cc1ccc(NC(=O)CCCNC(=O)CN)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.06.104 | ||
| 46232769 | 450013 | 0 | None | -6 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 370 | 6 | 4 | 5 | 2.7 | Cc1ccccc1CC(C)(C)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
| CHEMBL601036 | 450013 | 0 | None | -6 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 370 | 6 | 4 | 5 | 2.7 | Cc1ccccc1CC(C)(C)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
| 164614743 | 371703 | 0 | None | -134 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 386 | 7 | 4 | 4 | 3.5 | CC(CCc1ccccc1Cl)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028269 | 371703 | 0 | None | -134 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 386 | 7 | 4 | 4 | 3.5 | CC(CCc1ccccc1Cl)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| 45484536 | 394306 | 0 | None | -5 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 527 | 13 | 7 | 8 | 1.6 | CC(C)(Cc1ccc(NC(=O)CCCNC(=O)CCN)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.06.104 | ||
| CHEMBL568239 | 394306 | 0 | None | -5 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 527 | 13 | 7 | 8 | 1.6 | CC(C)(Cc1ccc(NC(=O)CCCNC(=O)CCN)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.06.104 | ||
| 559926 | 197330 | 2 | None | 27 | 2 | Guinea pig | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 255 | 5 | 4 | 5 | 1.2 | CC(C)(C)NCC(O)COc1ccc(O)c(O)c1 | 10.1021/jm00107a027 | ||
| CHEMBL266619 | 197330 | 2 | None | 27 | 2 | Guinea pig | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 255 | 5 | 4 | 5 | 1.2 | CC(C)(C)NCC(O)COc1ccc(O)c(O)c1 | 10.1021/jm00107a027 | ||
| 45270673 | 390241 | 0 | None | 58 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 406 | 10 | 3 | 5 | 3.9 | O=C(Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1)Oc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL552253 | 390241 | 0 | None | 58 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 406 | 10 | 3 | 5 | 3.9 | O=C(Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1)Oc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| 45273280 | 391562 | 0 | None | -1 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 435 | 11 | 4 | 4 | 3.7 | O[C@@H](CNCCc1ccc(NC(=S)NCc2ccccc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL557095 | 391562 | 0 | None | -1 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 435 | 11 | 4 | 4 | 3.7 | O[C@@H](CNCCc1ccc(NC(=S)NCc2ccccc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| 44396513 | 139010 | 0 | None | -30 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 577 | 12 | 4 | 8 | 4.4 | CC(C)S(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.10.035 | ||
| CHEMBL185660 | 139010 | 0 | None | -30 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 577 | 12 | 4 | 8 | 4.4 | CC(C)S(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.10.035 | ||
| 10420352 | 327758 | 5 | None | 83 | 2 | Guinea pig | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 201 | 3 | 4 | 4 | 0.5 | CNCC(O)c1ccc(O)c(O)c1F | 10.1021/jm00118a019 | ||
| CHEMBL43711 | 327758 | 5 | None | 83 | 2 | Guinea pig | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 201 | 3 | 4 | 4 | 0.5 | CNCC(O)c1ccc(O)c(O)c1F | 10.1021/jm00118a019 | ||
| 10076548 | 328257 | 0 | None | -4 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 562 | 13 | 5 | 8 | 2.7 | CCCCN(C(=O)CC(=O)O)c1ccc(N2CCC(NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1 | 10.1021/jm000544b | ||
| CHEMBL418600 | 328257 | 0 | None | -4 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 562 | 13 | 5 | 8 | 2.7 | CCCCN(C(=O)CC(=O)O)c1ccc(N2CCC(NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1 | 10.1021/jm000544b | ||
| 24893966 | 350699 | 0 | None | -724 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 449 | 12 | 3 | 5 | 4.8 | CC(C)COc1cc(-c2ccc(OCCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL460257 | 350699 | 0 | None | -724 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 449 | 12 | 3 | 5 | 4.8 | CC(C)COc1cc(-c2ccc(OCCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 44331766 | 19001 | 0 | None | -2 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 449 | 9 | 3 | 4 | 4.3 | O[C@@H](CNCC1CCN(CCC(F)(F)F)CC1)COc1cccc2[nH]c3ccccc3c12 | 10.1016/s0960-894x(02)00607-8 | ||
| CHEMBL103137 | 19001 | 0 | None | -2 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 449 | 9 | 3 | 4 | 4.3 | O[C@@H](CNCC1CCN(CCC(F)(F)F)CC1)COc1cccc2[nH]c3ccccc3c12 | 10.1016/s0960-894x(02)00607-8 | ||
| 22063464 | 451136 | 0 | None | -10 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 370 | 6 | 4 | 5 | 2.7 | Cc1cccc(CC(C)(C)NCC(O)c2cc(O)cc3c2OCC(=O)N3)c1 | 10.1016/j.bmcl.2009.12.087 | ||
| CHEMBL602257 | 451136 | 0 | None | -10 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 370 | 6 | 4 | 5 | 2.7 | Cc1cccc(CC(C)(C)NCC(O)c2cc(O)cc3c2OCC(=O)N3)c1 | 10.1016/j.bmcl.2009.12.087 | ||
| 10189730 | 19614 | 0 | None | -426 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 647 | 14 | 6 | 8 | 3.4 | CS(=O)(=O)Nc1cc(OC[C@@H](O)CNCCc2ccc(NC3CCN(C(=O)NCc4cc(F)ccc4F)CC3)cc2)ccc1O | 10.1016/s0960-894x(01)00645-x | ||
| CHEMBL106511 | 19614 | 0 | None | -426 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 647 | 14 | 6 | 8 | 3.4 | CS(=O)(=O)Nc1cc(OC[C@@H](O)CNCCc2ccc(NC3CCN(C(=O)NCc4cc(F)ccc4F)CC3)cc2)ccc1O | 10.1016/s0960-894x(01)00645-x | ||
| 145984324 | 330704 | 0 | None | -7 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 449 | 11 | 4 | 4 | 4.6 | CCc1ccccc1OC[C@@H](O)CNCCc1ccc(NC(=S)Nc2ccccc2)cc1 | 10.1016/j.ejmech.2018.03.032 | ||
| CHEMBL4248727 | 330704 | 0 | None | -7 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 449 | 11 | 4 | 4 | 4.6 | CCc1ccccc1OC[C@@H](O)CNCCc1ccc(NC(=S)Nc2ccccc2)cc1 | 10.1016/j.ejmech.2018.03.032 | ||
| 44574723 | 352436 | 0 | None | 1 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 439 | 11 | 3 | 5 | 3.5 | O=C(Cc1cccc(Cl)n1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
| CHEMBL466726 | 352436 | 0 | None | 1 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 439 | 11 | 3 | 5 | 3.5 | O=C(Cc1cccc(Cl)n1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
| 155567283 | 349945 | 0 | None | -588 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 368 | 8 | 4 | 5 | 2.5 | COc1ccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1016/j.bmc.2018.10.043 | ||
| CHEMBL4588479 | 349945 | 0 | None | -588 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 368 | 8 | 4 | 5 | 2.5 | COc1ccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1016/j.bmc.2018.10.043 | ||
| 44377771 | 330423 | 0 | None | -70 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 596 | 10 | 5 | 9 | 3.4 | O=C1NC(=O)C(Cc2ccc(N3CCC(NC[C@H](O)c4ccc(O)c(NS(=O)(=O)c5ccccc5)c4)CC3)cc2)S1 | 10.1016/s0960-894x(01)00063-4 | ||
| CHEMBL424167 | 330423 | 0 | None | -70 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 596 | 10 | 5 | 9 | 3.4 | O=C1NC(=O)C(Cc2ccc(N3CCC(NC[C@H](O)c4ccc(O)c(NS(=O)(=O)c5ccccc5)c4)CC3)cc2)S1 | 10.1016/s0960-894x(01)00063-4 | ||
| 1028 | 599 | 43 | None | -21 | 11 | Guinea pig | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
| 479 | 599 | 43 | None | -21 | 11 | Guinea pig | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
| 5816 | 599 | 43 | None | -21 | 11 | Guinea pig | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
| CHEMBL679 | 599 | 43 | None | -21 | 11 | Guinea pig | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
| DB00668 | 599 | 43 | None | -21 | 11 | Guinea pig | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
| 46232856 | 462780 | 0 | None | -128 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 424 | 6 | 4 | 5 | 3.4 | CC(C)(Cc1cccc(C(F)(F)F)c1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
| CHEMBL604333 | 462780 | 0 | None | -128 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 424 | 6 | 4 | 5 | 3.4 | CC(C)(Cc1cccc(C(F)(F)F)c1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
| 10651147 | 220205 | 0 | None | -10964 | 3 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 596 | 12 | 6 | 8 | 2.5 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(C(=O)N[C@@H](Cc4ccccc4)C(=O)O)cc3)CC2)ccc1O | 10.1021/jm000544b | ||
| CHEMBL32599 | 220205 | 0 | None | -10964 | 3 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 596 | 12 | 6 | 8 | 2.5 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(C(=O)N[C@@H](Cc4ccccc4)C(=O)O)cc3)CC2)ccc1O | 10.1021/jm000544b | ||
| 44392542 | 138156 | 0 | None | -6 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 543 | 11 | 4 | 6 | 5.5 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NCc2ccc3ccccc3c2)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| CHEMBL183552 | 138156 | 0 | None | -6 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 543 | 11 | 4 | 6 | 5.5 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NCc2ccc3ccccc3c2)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| 11432806 | 138490 | 0 | None | -134 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 549 | 11 | 4 | 8 | 3.6 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.09.054 | ||
| 11432806 | 138490 | 0 | None | -134 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 549 | 11 | 4 | 8 | 3.6 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
| CHEMBL184407 | 138490 | 0 | None | -134 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 549 | 11 | 4 | 8 | 3.6 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.09.054 | ||
| CHEMBL184407 | 138490 | 0 | None | -134 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 549 | 11 | 4 | 8 | 3.6 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
| 164612025 | 371681 | 0 | None | -2454 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 382 | 8 | 4 | 5 | 2.9 | COc1ccc(CCC(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028117 | 371681 | 0 | None | -2454 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 382 | 8 | 4 | 5 | 2.9 | COc1ccc(CCC(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1016/j.ejmech.2021.113697 | ||
| 24895669 | 373751 | 0 | None | -7079 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 435 | 10 | 4 | 5 | 4.4 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cccc(O)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL518168 | 373751 | 0 | None | -7079 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 435 | 10 | 4 | 5 | 4.4 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cccc(O)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 44392575 | 136701 | 0 | None | -2 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 441 | 10 | 4 | 6 | 2.8 | C#CCNc1cccc([C@@H](O)CN[C@H](C)Cc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| CHEMBL181300 | 136701 | 0 | None | -2 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 441 | 10 | 4 | 6 | 2.8 | C#CCNc1cccc([C@@H](O)CN[C@H](C)Cc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| 52949489 | 41417 | 0 | None | -21 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 490 | 9 | 2 | 8 | 4.4 | COc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258024 | 41417 | 0 | None | -21 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 490 | 9 | 2 | 8 | 4.4 | COc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | ||
| 44268324 | 40668 | 0 | None | -93 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 476 | 11 | 4 | 6 | 3.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccc(Cl)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL12450 | 40668 | 0 | None | -93 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 476 | 11 | 4 | 6 | 3.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccc(Cl)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| 10626150 | 200205 | 0 | None | -295 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 534 | 11 | 5 | 9 | 1.3 | CCOC(=O)CNC(=O)c1ccc(N2CCC(NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1 | 10.1021/jm000544b | ||
| CHEMBL286868 | 200205 | 0 | None | -295 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 534 | 11 | 5 | 9 | 1.3 | CCOC(=O)CNC(=O)c1ccc(N2CCC(NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1 | 10.1021/jm000544b | ||
| 44336180 | 20799 | 0 | None | -15 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 554 | 12 | 5 | 6 | 4.0 | O=C(NCc1ccc(F)cc1F)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
| CHEMBL108263 | 20799 | 0 | None | -15 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 554 | 12 | 5 | 6 | 4.0 | O=C(NCc1ccc(F)cc1F)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
| 11270071 | 199224 | 0 | None | 1 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 328 | 6 | 3 | 2 | 4.1 | C[C@H](Cc1c[nH]c2ccccc12)NC[C@@H](O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
| CHEMBL279931 | 199224 | 0 | None | 1 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 328 | 6 | 3 | 2 | 4.1 | C[C@H](Cc1c[nH]c2ccccc12)NC[C@@H](O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
| 5311452 | 7458 | 12 | None | -5 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 325 | 7 | 2 | 3 | 3.7 | CCc1ccccc1OC[C@H](CN[C@H]1CCCc2c1cccc2)O | 10.1016/j.ejmech.2022.114961 | ||
| 547 | 7458 | 12 | None | -5 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 325 | 7 | 2 | 3 | 3.7 | CCc1ccccc1OC[C@H](CN[C@H]1CCCc2c1cccc2)O | 10.1016/j.ejmech.2022.114961 | ||
| CHEMBL1326499 | 7458 | 12 | None | -5 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 325 | 7 | 2 | 3 | 3.7 | CCc1ccccc1OC[C@H](CN[C@H]1CCCc2c1cccc2)O | 10.1016/j.ejmech.2022.114961 | ||
| 24949564 | 372646 | 0 | None | -147 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 452 | 7 | 4 | 5 | 4.6 | Nc1cc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)cc(C(=O)O)c1 | 10.1021/jm800222k | ||
| CHEMBL514094 | 372646 | 0 | None | -147 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 452 | 7 | 4 | 5 | 4.6 | Nc1cc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)cc(C(=O)O)c1 | 10.1021/jm800222k | ||
| 24893964 | 369930 | 0 | None | -1862 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 460 | 10 | 3 | 5 | 5.0 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1OC1CCCCC1 | 10.1021/jm8000345 | ||
| CHEMBL488224 | 369930 | 0 | None | -1862 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 460 | 10 | 3 | 5 | 5.0 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1OC1CCCCC1 | 10.1021/jm8000345 | ||
| 24893964 | 369930 | 0 | None | -1862 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 460 | 10 | 3 | 5 | 5.0 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
| CHEMBL488224 | 369930 | 0 | None | -1862 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 460 | 10 | 3 | 5 | 5.0 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
| 3038500 | 23645 | 11 | None | -1778 | 6 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 624 | 11 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1021/jm000286i | ||
| CHEMBL111201 | 23645 | 11 | None | -1778 | 6 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 624 | 11 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1021/jm000286i | ||
| 10187653 | 18684 | 0 | None | -3 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 554 | 11 | 5 | 7 | 3.5 | O=C(Nc1ccccc1)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3ccc(O)cc3)CC2)cc1 | 10.1016/s0960-894x(02)00607-8 | ||
| CHEMBL100970 | 18684 | 0 | None | -3 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 554 | 11 | 5 | 7 | 3.5 | O=C(Nc1ccccc1)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3ccc(O)cc3)CC2)cc1 | 10.1016/s0960-894x(02)00607-8 | ||
| 44396736 | 139155 | 0 | None | -11 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 617 | 12 | 4 | 9 | 5.1 | C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3cccs3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
| CHEMBL186271 | 139155 | 0 | None | -11 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 617 | 12 | 4 | 9 | 5.1 | C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3cccs3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
| 44127056 | 390182 | 0 | None | 1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 426 | 11 | 4 | 6 | 3.2 | O=C(Cc1ccsc1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| CHEMBL551892 | 390182 | 0 | None | 1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 426 | 11 | 4 | 6 | 3.2 | O=C(Cc1ccsc1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| 24949420 | 371335 | 1 | None | -51 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 422 | 6 | 3 | 4 | 4.3 | O=C(O)c1ccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)nc1 | 10.1021/jm800222k | ||
| CHEMBL498304 | 371335 | 1 | None | -51 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 422 | 6 | 3 | 4 | 4.3 | O=C(O)c1ccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)nc1 | 10.1021/jm800222k | ||
| 42639652 | 26997 | 0 | None | -1513 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 495 | 11 | 3 | 6 | 3.5 | CC(C)Cc1cc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| CHEMBL1187716 | 26997 | 0 | None | -1513 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 495 | 11 | 3 | 6 | 3.5 | CC(C)Cc1cc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| 45483847 | 393903 | 0 | None | -2 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 432 | 7 | 4 | 5 | 4.0 | CC(C)(Cc1ccc(-c2ccccc2)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.10.013 | ||
| CHEMBL565686 | 393903 | 0 | None | -2 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 432 | 7 | 4 | 5 | 4.0 | CC(C)(Cc1ccc(-c2ccccc2)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.10.013 | ||
| 45483816 | 394231 | 0 | None | -12 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 370 | 6 | 4 | 5 | 2.7 | Cc1cccc(CC(C)(C)NCC(O)c2ccc(O)c3c2OCC(=O)N3)c1 | 10.1016/j.bmcl.2009.10.013 | ||
| CHEMBL567833 | 394231 | 0 | None | -12 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 370 | 6 | 4 | 5 | 2.7 | Cc1cccc(CC(C)(C)NCC(O)c2ccc(O)c3c2OCC(=O)N3)c1 | 10.1016/j.bmcl.2009.10.013 | ||
| 52947562 | 41556 | 0 | None | 3 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 384 | 7 | 2 | 7 | 2.7 | OC(CNC1CCN(c2ncnc3sccc23)CC1)COc1ccccc1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258486 | 41556 | 0 | None | 3 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 384 | 7 | 2 | 7 | 2.7 | OC(CNC1CCN(c2ncnc3sccc23)CC1)COc1ccccc1 | 10.1016/j.bmcl.2010.08.039 | ||
| 11026016 | 99969 | 0 | None | 1 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 411 | 10 | 4 | 5 | 2.5 | C[C@H](CNc1ccc(CNS(C)(=O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| CHEMBL153916 | 99969 | 0 | None | 1 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 411 | 10 | 4 | 5 | 2.5 | C[C@H](CNc1ccc(CNS(C)(=O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| 10902809 | 101337 | 0 | None | 1 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 304 | 7 | 3 | 3 | 3.5 | C[C@H](CNc1ccccc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| CHEMBL155072 | 101337 | 0 | None | 1 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 304 | 7 | 3 | 3 | 3.5 | C[C@H](CNc1ccccc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| 2419 | 7043 | 56 | None | -21 | 5 | Guinea pig | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm801016j | ||
| 5152 | 7043 | 56 | None | -21 | 5 | Guinea pig | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm801016j | ||
| 559 | 7043 | 56 | None | -21 | 5 | Guinea pig | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm801016j | ||
| CHEMBL1263 | 7043 | 56 | None | -21 | 5 | Guinea pig | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm801016j | ||
| DB00938 | 7043 | 56 | None | -21 | 5 | Guinea pig | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm801016j | ||
| 155543358 | 348810 | 0 | None | -102 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 354 | 7 | 5 | 5 | 2.2 | O=c1ccc2c(C(O)CNCCCc3ccccc3O)ccc(O)c2[nH]1 | 10.1016/j.bmc.2018.10.043 | ||
| CHEMBL4561253 | 348810 | 0 | None | -102 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 354 | 7 | 5 | 5 | 2.2 | O=c1ccc2c(C(O)CNCCCc3ccccc3O)ccc(O)c2[nH]1 | 10.1016/j.bmc.2018.10.043 | ||
| 177640523 | 465097 | 0 | None | -120 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 342 | 6 | 4 | 5 | 1.9 | Cc1ccc(CCNCC(O)c2ccc(O)c3c2OCC(=O)N3)cc1 | 10.1021/acs.jmedchem.3c02074 | ||
| CHEMBL6068791 | 465097 | 0 | None | -120 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 342 | 6 | 4 | 5 | 1.9 | Cc1ccc(CCNCC(O)c2ccc(O)c3c2OCC(=O)N3)cc1 | 10.1021/acs.jmedchem.3c02074 | ||
| 45484568 | 407314 | 0 | None | -10 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 541 | 13 | 6 | 8 | 1.8 | CN(C)CC(=O)NCCCC(=O)Nc1ccc(CC(C)(C)NCC(O)c2ccc(O)c3c2OCC(=O)N3)cc1 | 10.1016/j.bmcl.2009.06.104 | ||
| CHEMBL576428 | 407314 | 0 | None | -10 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 541 | 13 | 6 | 8 | 1.8 | CN(C)CC(=O)NCCCC(=O)Nc1ccc(CC(C)(C)NCC(O)c2ccc(O)c3c2OCC(=O)N3)cc1 | 10.1016/j.bmcl.2009.06.104 | ||
| 177640171 | 465208 | 0 | None | -407 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 362 | 6 | 4 | 5 | 2.2 | O=C1COc2c(C(O)CNCCc3ccccc3Cl)ccc(O)c2N1 | 10.1021/acs.jmedchem.3c02074 | ||
| CHEMBL6070035 | 465208 | 0 | None | -407 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 362 | 6 | 4 | 5 | 2.2 | O=C1COc2c(C(O)CNCCc3ccccc3Cl)ccc(O)c2N1 | 10.1021/acs.jmedchem.3c02074 | ||
| 45483843 | 394133 | 0 | None | -9 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 384 | 7 | 4 | 5 | 2.9 | CCc1ccc(CC(C)(C)NCC(O)c2ccc(O)c3c2OCC(=O)N3)cc1 | 10.1016/j.bmcl.2009.10.013 | ||
| CHEMBL567192 | 394133 | 0 | None | -9 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 384 | 7 | 4 | 5 | 2.9 | CCc1ccc(CC(C)(C)NCC(O)c2ccc(O)c3c2OCC(=O)N3)cc1 | 10.1016/j.bmcl.2009.10.013 | ||
| 45484569 | 394717 | 0 | None | -4 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 596 | 13 | 6 | 9 | 1.5 | CN1CCN(CC(=O)NCCCC(=O)Nc2ccc(CC(C)(C)NCC(O)c3ccc(O)c4c3OCC(=O)N4)cc2)CC1 | 10.1016/j.bmcl.2009.06.104 | ||
| CHEMBL570834 | 394717 | 0 | None | -4 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 596 | 13 | 6 | 9 | 1.5 | CN1CCN(CC(=O)NCCCC(=O)Nc2ccc(CC(C)(C)NCC(O)c3ccc(O)c4c3OCC(=O)N4)cc2)CC1 | 10.1016/j.bmcl.2009.06.104 | ||
| 45268128 | 393105 | 0 | None | -1 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 427 | 10 | 4 | 4 | 3.9 | O[C@@H](CNCCc1ccc(NC(=S)NC2CCCCC2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL562315 | 393105 | 0 | None | -1 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 427 | 10 | 4 | 4 | 3.9 | O[C@@H](CNCCc1ccc(NC(=S)NC2CCCCC2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| 10233153 | 18578 | 0 | None | -5 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 642 | 11 | 5 | 9 | 3.1 | CS(=O)(=O)Nc1cc([C@@H](O)CNCC2CCN(S(=O)(=O)c3ccc(-n4ccc5c(C(=O)O)cccc54)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00608-x | ||
| CHEMBL100351 | 18578 | 0 | None | -5 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 642 | 11 | 5 | 9 | 3.1 | CS(=O)(=O)Nc1cc([C@@H](O)CNCC2CCN(S(=O)(=O)c3ccc(-n4ccc5c(C(=O)O)cccc54)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00608-x | ||
| 10553602 | 255118 | 0 | None | -1 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 506 | 10 | 6 | 8 | 0.9 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(C(=O)NCC(=O)O)cc3)CC2)ccc1O | 10.1021/jm000544b | ||
| CHEMBL36568 | 255118 | 0 | None | -1 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 506 | 10 | 6 | 8 | 0.9 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(C(=O)NCC(=O)O)cc3)CC2)ccc1O | 10.1021/jm000544b | ||
| 9893058 | 138674 | 0 | None | -39 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 525 | 17 | 5 | 8 | 2.9 | O=c1ccn(-c2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)c(=O)[nH]1 | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1851721 | 138674 | 0 | None | -39 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 525 | 17 | 5 | 8 | 2.9 | O=c1ccn(-c2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)c(=O)[nH]1 | 10.1016/j.bmc.2011.05.064 | ||
| 56678849 | 138916 | 0 | None | -63 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 541 | 18 | 5 | 8 | 2.7 | O=C1NC(=O)N(Cc2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)C1=O | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1852744 | 138916 | 0 | None | -63 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 541 | 18 | 5 | 8 | 2.7 | O=C1NC(=O)N(Cc2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)C1=O | 10.1016/j.bmc.2011.05.064 | ||
| 56675663 | 138879 | 0 | None | -50 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 541 | 17 | 6 | 6 | 4.6 | NC(=O)Nc1cc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc(C(F)(F)F)c1 | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1852575 | 138879 | 0 | None | -50 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 541 | 17 | 6 | 6 | 4.6 | NC(=O)Nc1cc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc(C(F)(F)F)c1 | 10.1016/j.bmc.2011.08.043 | ||
| 46833102 | 38123 | 0 | None | -31 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 496 | 17 | 5 | 8 | 1.9 | NS(=O)(=O)c1cccc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm100326d | ||
| CHEMBL1198882 | 38123 | 0 | None | -31 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 496 | 17 | 5 | 8 | 1.9 | NS(=O)(=O)c1cccc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm100326d | ||
| 44574913 | 352487 | 0 | None | None | None | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 526 | 15 | 2 | 6 | 4.5 | CCCN(C(=O)Cc1nccn1Cc1ccccc1)c1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
| CHEMBL467117 | 352487 | 0 | None | None | None | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 526 | 15 | 2 | 6 | 4.5 | CCCN(C(=O)Cc1nccn1Cc1ccccc1)c1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
| 24895667 | 350809 | 0 | None | -208 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 453 | 10 | 3 | 4 | 5.4 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3ccc(Cl)cc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL461282 | 350809 | 0 | None | -208 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 453 | 10 | 3 | 4 | 5.4 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3ccc(Cl)cc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 10003858 | 372253 | 1 | None | -3548 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 449 | 10 | 4 | 5 | 4.8 | CC(C)Oc1cc(-c2ccc(CCN[C@@H](C)[C@H](O)c3ccc(O)cc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL510100 | 372253 | 1 | None | -3548 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 449 | 10 | 4 | 5 | 4.8 | CC(C)Oc1cc(-c2ccc(CCN[C@@H](C)[C@H](O)c3ccc(O)cc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 42625513 | 26827 | 0 | None | -1000 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 | 10.1021/jm801016j | ||
| CHEMBL1186722 | 26827 | 0 | None | -1000 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 | 10.1021/jm801016j | ||
| 42625515 | 26996 | 0 | None | -794 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 508 | 18 | 5 | 7 | 3.0 | CNS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| CHEMBL1187711 | 26996 | 0 | None | -794 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 508 | 18 | 5 | 7 | 3.0 | CNS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| 11718543 | 330698 | 0 | None | -125 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 411 | 9 | 4 | 5 | 3.8 | O=C(O)c1cccc(-c2cccc(NCCNC[C@H](O)c3cccc(Cl)c3)c2)n1 | 10.1021/jm0509445 | ||
| CHEMBL424866 | 330698 | 0 | None | -125 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 411 | 9 | 4 | 5 | 3.8 | O=C(O)c1cccc(-c2cccc(NCCNC[C@H](O)c3cccc(Cl)c3)c2)n1 | 10.1021/jm0509445 | ||
| 9801145 | 193841 | 0 | None | -630 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 400 | 9 | 4 | 5 | 4.0 | O=C(O)c1ccoc1-c1cccc(NCCNC[C@H](O)c2cccc(Cl)c2)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| CHEMBL245874 | 193841 | 0 | None | -630 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 400 | 9 | 4 | 5 | 4.0 | O=C(O)c1ccoc1-c1cccc(NCCNC[C@H](O)c2cccc(Cl)c2)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| 11605652 | 26823 | 0 | None | -501 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| CHEMBL1186715 | 26823 | 0 | None | -501 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| 44392240 | 136649 | 0 | None | -6 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 401 | 12 | 5 | 5 | 2.2 | CCCNC(=O)Nc1ccc(C[C@@H](CO)NC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmcl.2004.11.001 | ||
| CHEMBL181115 | 136649 | 0 | None | -6 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 401 | 12 | 5 | 5 | 2.2 | CCCNC(=O)Nc1ccc(C[C@@H](CO)NC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmcl.2004.11.001 | ||
| 44580010 | 370062 | 0 | None | -46 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 441 | 10 | 3 | 5 | 4.7 | COc1ccc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc1C(=O)O | 10.1016/j.bmcl.2008.08.009 | ||
| CHEMBL489199 | 370062 | 0 | None | -46 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 441 | 10 | 3 | 5 | 4.7 | COc1ccc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc1C(=O)O | 10.1016/j.bmcl.2008.08.009 | ||
| 24894319 | 372964 | 0 | None | -213 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 435 | 11 | 3 | 5 | 4.5 | CC(C)Oc1cc(-c2ccc(OCCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL516785 | 372964 | 0 | None | -213 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 435 | 11 | 3 | 5 | 4.5 | CC(C)Oc1cc(-c2ccc(OCCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 10202842 | 329111 | 0 | None | -16 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 428 | 10 | 5 | 6 | 1.9 | NC(=O)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
| CHEMBL421030 | 329111 | 0 | None | -16 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 428 | 10 | 5 | 6 | 1.9 | NC(=O)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
| 24895561 | 350811 | 0 | None | -194 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 509 | 11 | 3 | 5 | 6.1 | O=C(O)c1ccc(-c2ccc(OCCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1OC1CCCCC1 | 10.1021/jm8000345 | ||
| CHEMBL461301 | 350811 | 0 | None | -194 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 509 | 11 | 3 | 5 | 6.1 | O=C(O)c1ccc(-c2ccc(OCCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1OC1CCCCC1 | 10.1021/jm8000345 | ||
| 44331443 | 18797 | 0 | None | -26 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 689 | 14 | 7 | 9 | 2.3 | CS(=O)(=O)Nc1cc([C@@H](O)CNCC2CCN(S(=O)(=O)c3ccc(NC(=O)N[C@@H](Cc4ccccc4)C(=O)O)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00608-x | ||
| CHEMBL101674 | 18797 | 0 | None | -26 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 689 | 14 | 7 | 9 | 2.3 | CS(=O)(=O)Nc1cc([C@@H](O)CNCC2CCN(S(=O)(=O)c3ccc(NC(=O)N[C@@H](Cc4ccccc4)C(=O)O)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00608-x | ||
| 44331351 | 474986 | 0 | None | -16 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 610 | 13 | 6 | 8 | 2.7 | CS(=O)(=O)Nc1cc([C@@H](O)CNCC2CCN(c3ccc(C(=O)N[C@@H](Cc4ccccc4)C(=O)O)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00608-x | ||
| CHEMBL98088 | 474986 | 0 | None | -16 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 610 | 13 | 6 | 8 | 2.7 | CS(=O)(=O)Nc1cc([C@@H](O)CNCC2CCN(c3ccc(C(=O)N[C@@H](Cc4ccccc4)C(=O)O)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00608-x | ||
| 10209574 | 19774 | 0 | None | -22 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 554 | 12 | 5 | 6 | 4.0 | O=C(NCc1cc(F)ccc1F)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
| CHEMBL107382 | 19774 | 0 | None | -22 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 554 | 12 | 5 | 6 | 4.0 | O=C(NCc1cc(F)ccc1F)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
| 10304565 | 217001 | 0 | None | -11 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 622 | 12 | 5 | 7 | 3.6 | O=C(NCc1cc(F)ccc1F)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3ccc(O)c(F)c3)CC2)cc1 | 10.1016/s0960-894x(02)00607-8 | ||
| CHEMBL317809 | 217001 | 0 | None | -11 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 622 | 12 | 5 | 7 | 3.6 | O=C(NCc1cc(F)ccc1F)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3ccc(O)c(F)c3)CC2)cc1 | 10.1016/s0960-894x(02)00607-8 | ||
| 44396577 | 139240 | 0 | None | -25 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 561 | 12 | 4 | 6 | 5.9 | C[C@H](Cc1c[nH]c2c(OCc3ccccc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
| CHEMBL186676 | 139240 | 0 | None | -25 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 561 | 12 | 4 | 6 | 5.9 | C[C@H](Cc1c[nH]c2c(OCc3ccccc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
| 24822817 | 195667 | 0 | None | -120 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 493 | 10 | 3 | 4 | 6.3 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1OC1CCCCC1 | 10.1021/jm701324c | ||
| CHEMBL256418 | 195667 | 0 | None | -120 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 493 | 10 | 3 | 4 | 6.3 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1OC1CCCCC1 | 10.1021/jm701324c | ||
| 24822817 | 195667 | 0 | None | -120 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 493 | 10 | 3 | 4 | 6.3 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1OC1CCCCC1 | 10.1021/jm8000345 | ||
| CHEMBL256418 | 195667 | 0 | None | -120 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 493 | 10 | 3 | 4 | 6.3 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1OC1CCCCC1 | 10.1021/jm8000345 | ||
| 24822817 | 195667 | 0 | None | -120 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 493 | 10 | 3 | 4 | 6.3 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
| CHEMBL256418 | 195667 | 0 | None | -120 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 493 | 10 | 3 | 4 | 6.3 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
| 44237613 | 121023 | 0 | None | -2754 | 2 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 502 | 10 | 6 | 6 | 3.4 | COc1ccccc1CNC(=O)Nc1cccc(CCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.bmcl.2010.12.096 | ||
| CHEMBL1682215 | 121023 | 0 | None | -2754 | 2 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 502 | 10 | 6 | 6 | 3.4 | COc1ccccc1CNC(=O)Nc1cccc(CCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.bmcl.2010.12.096 | ||
| 44580009 | 370064 | 0 | None | -42 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 425 | 9 | 3 | 4 | 5.0 | Cc1ccc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc1C(=O)O | 10.1016/j.bmcl.2008.08.009 | ||
| CHEMBL489201 | 370064 | 0 | None | -42 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 425 | 9 | 3 | 4 | 5.0 | Cc1ccc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc1C(=O)O | 10.1016/j.bmcl.2008.08.009 | ||
| 44127575 | 387299 | 0 | None | -1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 426 | 11 | 4 | 6 | 3.2 | O=C(Cc1cccs1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| CHEMBL539226 | 387299 | 0 | None | -1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 426 | 11 | 4 | 6 | 3.2 | O=C(Cc1cccs1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| 45270391 | 390296 | 0 | None | -1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 459 | 11 | 4 | 6 | 3.8 | O=C(CC1C=Nc2ccccc21)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| CHEMBL552434 | 390296 | 0 | None | -1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 459 | 11 | 4 | 6 | 3.8 | O=C(CC1C=Nc2ccccc21)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| 45273276 | 391327 | 0 | None | -2 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 429 | 10 | 4 | 5 | 3.6 | N#C/N=C(\Nc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL556689 | 391327 | 0 | None | -2 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 429 | 10 | 4 | 5 | 3.6 | N#C/N=C(\Nc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| 24822472 | 197720 | 0 | None | -38 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 409 | 8 | 3 | 3 | 4.9 | Cc1cc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm701324c | ||
| CHEMBL269920 | 197720 | 0 | None | -38 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 409 | 8 | 3 | 3 | 4.9 | Cc1cc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm701324c | ||
| 44237670 | 121027 | 0 | None | -8128 | 2 | Rat | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 534 | 9 | 6 | 5 | 5.4 | O=C(Nc1cccc(CCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1)Nc1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2010.12.096 | ||
| CHEMBL1682219 | 121027 | 0 | None | -8128 | 2 | Rat | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 534 | 9 | 6 | 5 | 5.4 | O=C(Nc1cccc(CCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1)Nc1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2010.12.096 | ||
| 44396737 | 139145 | 0 | None | -47 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 683 | 14 | 4 | 10 | 5.2 | CCOC(=O)c1ccc(S(=O)(=O)Oc2cccc3c(C[C@@H](C)NC[C@H](O)c4cccc(NS(=O)(=O)c5cccs5)c4)c[nH]c23)cc1 | 10.1016/j.bmcl.2004.10.035 | ||
| CHEMBL186236 | 139145 | 0 | None | -47 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 683 | 14 | 4 | 10 | 5.2 | CCOC(=O)c1ccc(S(=O)(=O)Oc2cccc3c(C[C@@H](C)NC[C@H](O)c4cccc(NS(=O)(=O)c5cccs5)c4)c[nH]c23)cc1 | 10.1016/j.bmcl.2004.10.035 | ||
| 44444173 | 194396 | 0 | None | -8 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 516 | 11 | 4 | 7 | 3.3 | CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2c1C1(CC1)C(=O)N2 | 10.1016/j.bmcl.2007.09.011 | ||
| CHEMBL248547 | 194396 | 0 | None | -8 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 516 | 11 | 4 | 7 | 3.3 | CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2c1C1(CC1)C(=O)N2 | 10.1016/j.bmcl.2007.09.011 | ||
| 44331426 | 18771 | 0 | None | -114 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 578 | 13 | 7 | 9 | 1.0 | CS(=O)(=O)Nc1cc([C@@H](O)CNCC2CCN(c3ccc(C(=O)N[C@@H](CC(=O)O)C(=O)O)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00608-x | ||
| CHEMBL101521 | 18771 | 0 | None | -114 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 578 | 13 | 7 | 9 | 1.0 | CS(=O)(=O)Nc1cc([C@@H](O)CNCC2CCN(c3ccc(C(=O)N[C@@H](CC(=O)O)C(=O)O)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00608-x | ||
| 44127048 | 390172 | 0 | None | 1 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 436 | 11 | 5 | 6 | 2.6 | O=C(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)C(O)c1ccccc1 | 10.1016/j.ejmech.2009.01.022 | ||
| CHEMBL551832 | 390172 | 0 | None | 1 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 436 | 11 | 5 | 6 | 2.6 | O=C(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)C(O)c1ccccc1 | 10.1016/j.ejmech.2009.01.022 | ||
| 1499 | 4274 | 42 | None | -2 | 31 | Guinea pig | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00107a027 | ||
| 3779 | 4274 | 42 | None | -2 | 31 | Guinea pig | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00107a027 | ||
| 536 | 4274 | 42 | None | -2 | 31 | Guinea pig | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00107a027 | ||
| CHEMBL434 | 4274 | 42 | None | -2 | 31 | Guinea pig | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00107a027 | ||
| DB01064 | 4274 | 42 | None | -2 | 31 | Guinea pig | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00107a027 | ||
| 24936491 | 41390 | 0 | None | -2 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 494 | 8 | 3 | 8 | 4.2 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccc(F)cc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1257916 | 41390 | 0 | None | -2 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 494 | 8 | 3 | 8 | 4.2 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccc(F)cc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | ||
| 9845282 | 157612 | 0 | None | -63 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 424 | 9 | 4 | 4 | 4.8 | C[C@H](CNc1cccc(-c2cccc(C(=O)O)c2)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0509445 | ||
| CHEMBL205224 | 157612 | 0 | None | -63 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 424 | 9 | 4 | 4 | 4.8 | C[C@H](CNc1cccc(-c2cccc(C(=O)O)c2)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0509445 | ||
| 155564079 | 346697 | 0 | None | -97 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 442 | 8 | 4 | 4 | 4.9 | CC(C)(CC(c1ccccc1)c1ccccc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.bmc.2018.10.043 | ||
| CHEMBL4575759 | 346697 | 0 | None | -97 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 442 | 8 | 4 | 4 | 4.9 | CC(C)(CC(c1ccccc1)c1ccccc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.bmc.2018.10.043 | ||
| 56943515 | 221928 | 0 | None | -7 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 478 | 13 | 6 | 7 | 3.7 | CC(C)(N)COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c(NC=O)c3)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298213 | 221928 | 0 | None | -7 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 478 | 13 | 6 | 7 | 3.7 | CC(C)(N)COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c(NC=O)c3)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| 11169365 | 221996 | 0 | None | -22 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 502 | 11 | 6 | 7 | 4.0 | CC(C)(N)COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298986 | 221996 | 0 | None | -22 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 502 | 11 | 6 | 7 | 4.0 | CC(C)(N)COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| 164612262 | 371683 | 0 | None | -190 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 386 | 7 | 4 | 4 | 3.5 | CC(CCc1ccc(Cl)cc1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028127 | 371683 | 0 | None | -190 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 386 | 7 | 4 | 4 | 3.5 | CC(CCc1ccc(Cl)cc1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| 5493324 | 193703 | 28 | None | -208 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 402 | 9 | 4 | 4 | 3.5 | C[C@H](Cc1c[nH]c2c(OCC(=O)O)cccc12)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
| CHEMBL279260 | 193703 | 28 | None | -208 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 402 | 9 | 4 | 4 | 3.5 | C[C@H](Cc1c[nH]c2c(OCC(=O)O)cccc12)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
| 24822972 | 197834 | 0 | None | 1 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 425 | 9 | 3 | 4 | 4.6 | COc1cc(CCNC[C@H](O)c2cccc(Cl)c2)ccc1-c1ccc(C(=O)O)cc1 | 10.1021/jm701324c | ||
| CHEMBL270460 | 197834 | 0 | None | 1 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 425 | 9 | 3 | 4 | 4.6 | COc1cc(CCNC[C@H](O)c2cccc(Cl)c2)ccc1-c1ccc(C(=O)O)cc1 | 10.1021/jm701324c | ||
| 52948056 | 41389 | 0 | None | 1 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 478 | 8 | 2 | 7 | 4.5 | OC(CNC1CCN(c2ncnc3scc(-c4ccc(F)cc4)c23)CC1)COc1ccccc1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1257915 | 41389 | 0 | None | 1 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 478 | 8 | 2 | 7 | 4.5 | OC(CNC1CCN(c2ncnc3scc(-c4ccc(F)cc4)c23)CC1)COc1ccccc1 | 10.1016/j.bmcl.2010.08.039 | ||
| 45483844 | 407750 | 0 | None | -4 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 398 | 7 | 4 | 5 | 3.5 | CC(C)c1ccc(CC(C)(C)NCC(O)c2ccc(O)c3c2OCC(=O)N3)cc1 | 10.1016/j.bmcl.2009.10.013 | ||
| CHEMBL576848 | 407750 | 0 | None | -4 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 398 | 7 | 4 | 5 | 3.5 | CC(C)c1ccc(CC(C)(C)NCC(O)c2ccc(O)c3c2OCC(=O)N3)cc1 | 10.1016/j.bmcl.2009.10.013 | ||
| 155513474 | 334309 | 0 | None | -83 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 478 | 8 | 4 | 4 | 5.1 | CC(C)(CC(c1ccc(F)cc1)c1ccc(F)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.bmc.2018.10.043 | ||
| CHEMBL4438531 | 334309 | 0 | None | -83 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 478 | 8 | 4 | 4 | 5.1 | CC(C)(CC(c1ccc(F)cc1)c1ccc(F)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.bmc.2018.10.043 | ||
| 164618278 | 371730 | 0 | None | -389 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 366 | 7 | 4 | 4 | 3.2 | Cc1ccccc1CCC(C)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028489 | 371730 | 0 | None | -389 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 366 | 7 | 4 | 4 | 3.2 | Cc1ccccc1CCC(C)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| 45271518 | 389627 | 0 | None | -6 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 479 | 11 | 4 | 6 | 3.9 | COC(=O)c1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL549689 | 389627 | 0 | None | -6 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 479 | 11 | 4 | 6 | 3.9 | COC(=O)c1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| 45270690 | 389866 | 0 | None | -3 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 466 | 11 | 4 | 6 | 4.0 | O=[N+]([O-])c1ccccc1NC(=S)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL550037 | 389866 | 0 | None | -3 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 466 | 11 | 4 | 6 | 4.0 | O=[N+]([O-])c1ccccc1NC(=S)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| 45273281 | 391681 | 0 | None | -1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 455 | 10 | 4 | 4 | 4.7 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccccc2Cl)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL557295 | 391681 | 0 | None | -1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 455 | 10 | 4 | 4 | 4.7 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccccc2Cl)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| 10008017 | 200057 | 12 | None | -7 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 562 | 12 | 6 | 8 | 2.3 | CC(C)C[C@H](NC(=O)c1ccc(N2CCC(NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1)C(=O)O | 10.1021/jm000544b | ||
| CHEMBL285881 | 200057 | 12 | None | -7 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 562 | 12 | 6 | 8 | 2.3 | CC(C)C[C@H](NC(=O)c1ccc(N2CCC(NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1)C(=O)O | 10.1021/jm000544b | ||
| 44127782 | 393711 | 0 | None | -1 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 470 | 11 | 4 | 5 | 4.3 | O=C(Cc1cccc2ccccc12)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| CHEMBL564556 | 393711 | 0 | None | -1 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 470 | 11 | 4 | 5 | 4.3 | O=C(Cc1cccc2ccccc12)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| 52944986 | 41482 | 0 | None | -72 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 478 | 8 | 2 | 7 | 4.5 | OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1ccccc1F | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258257 | 41482 | 0 | None | -72 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 478 | 8 | 2 | 7 | 4.5 | OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1ccccc1F | 10.1016/j.bmcl.2010.08.039 | ||
| 10187201 | 19520 | 0 | None | -77 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 540 | 17 | 5 | 6 | 4.9 | CCCCCCCCNC(=O)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
| CHEMBL106022 | 19520 | 0 | None | -77 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 540 | 17 | 5 | 6 | 4.9 | CCCCCCCCNC(=O)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
| 44312924 | 329746 | 0 | None | -229 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 421 | 6 | 3 | 6 | 4.2 | COc1cc(-c2ccc(CC3NCCc4cc(O)c(O)cc43)cc2)cc(OC)c1OC | 10.1016/s0960-894x(00)00459-5 | ||
| CHEMBL421871 | 329746 | 0 | None | -229 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 421 | 6 | 3 | 6 | 4.2 | COc1cc(-c2ccc(CC3NCCc4cc(O)c(O)cc43)cc2)cc(OC)c1OC | 10.1016/s0960-894x(00)00459-5 | ||
| 44219641 | 352353 | 0 | None | -5 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 498 | 13 | 3 | 6 | 4.1 | CC(Cc1ccc(NC(=O)Cc2nccn2Cc2ccccc2)cc1)NC[C@H](O)COc1ccccc1 | 10.1016/j.bmc.2009.03.044 | ||
| CHEMBL466088 | 352353 | 0 | None | -5 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 498 | 13 | 3 | 6 | 4.1 | CC(Cc1ccc(NC(=O)Cc2nccn2Cc2ccccc2)cc1)NC[C@H](O)COc1ccccc1 | 10.1016/j.bmc.2009.03.044 | ||
| 24895791 | 369906 | 0 | None | -199 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 419 | 10 | 3 | 4 | 4.7 | CCOc1cc(-c2ccc(C[C@@H](C)NC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL488051 | 369906 | 0 | None | -199 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 419 | 10 | 3 | 4 | 4.7 | CCOc1cc(-c2ccc(C[C@@H](C)NC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 44580040 | 370371 | 0 | None | -389 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 510 | 10 | 4 | 5 | 5.7 | CC(C)(C)C(=O)Nc1ccc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc1C(=O)O | 10.1016/j.bmcl.2008.08.009 | ||
| CHEMBL491645 | 370371 | 0 | None | -389 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 510 | 10 | 4 | 5 | 5.7 | CC(C)(C)C(=O)Nc1ccc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc1C(=O)O | 10.1016/j.bmcl.2008.08.009 | ||
| 24950560 | 346876 | 0 | None | -16 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 421 | 6 | 3 | 3 | 4.9 | O=C(O)c1ccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccccc2Cl)CC3)cc1 | 10.1021/jm800222k | ||
| CHEMBL450842 | 346876 | 0 | None | -16 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 421 | 6 | 3 | 3 | 4.9 | O=C(O)c1ccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccccc2Cl)CC3)cc1 | 10.1021/jm800222k | ||
| 145984042 | 330547 | 0 | None | -1348 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 475 | 13 | 4 | 5 | 3.1 | CC(=O)NCc1cccc(OC[C@@H](O)CNCCc2ccc(NC(=O)Cc3ccccc3)cc2)c1 | 10.1016/j.ejmech.2018.03.032 | ||
| CHEMBL4244929 | 330547 | 0 | None | -1348 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 475 | 13 | 4 | 5 | 3.1 | CC(=O)NCc1cccc(OC[C@@H](O)CNCCc2ccc(NC(=O)Cc3ccccc3)cc2)c1 | 10.1016/j.ejmech.2018.03.032 | ||
| 24824225 | 27087 | 0 | None | None | None | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 454 | 11 | 3 | 5 | 4.4 | CN(c1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1)c1ccc(OCC(=O)O)cc1 | 10.1021/jm701324c | ||
| CHEMBL1188359 | 27087 | 0 | None | None | None | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 454 | 11 | 3 | 5 | 4.4 | CN(c1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1)c1ccc(OCC(=O)O)cc1 | 10.1021/jm701324c | ||
| 10092953 | 198333 | 0 | None | -34 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 409 | 8 | 3 | 3 | 4.9 | Cc1cc(C(=O)O)ccc1-c1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1 | 10.1021/jm701324c | ||
| CHEMBL273028 | 198333 | 0 | None | -34 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 409 | 8 | 3 | 3 | 4.9 | Cc1cc(C(=O)O)ccc1-c1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1 | 10.1021/jm701324c | ||
| 16049376 | 136433 | 0 | None | -39 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 515 | 13 | 5 | 7 | 4.2 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCSCCNCCc3cccc(Cl)c3Cl)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
| CHEMBL1807871 | 136433 | 0 | None | -39 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 515 | 13 | 5 | 7 | 4.2 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCSCCNCCc3cccc(Cl)c3Cl)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
| 10238776 | 138767 | 0 | None | -79 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 473 | 17 | 6 | 6 | 3.6 | NC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1852214 | 138767 | 0 | None | -79 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 473 | 17 | 6 | 6 | 3.6 | NC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.08.043 | ||
| 24900689 | 142607 | 0 | None | -125 | 5 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1ccccc1CNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1945039 | 142607 | 0 | None | -125 | 5 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1ccccc1CNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | ||
| 11002571 | 101359 | 0 | None | 1 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 348 | 8 | 4 | 4 | 3.2 | C[C@H](CNc1ccc(C(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| CHEMBL155092 | 101359 | 0 | None | 1 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 348 | 8 | 4 | 4 | 3.2 | C[C@H](CNc1ccc(C(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| 10346448 | 238543 | 0 | None | -501 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 515 | 11 | 4 | 6 | 3.8 | Cc1ccc(S(=O)(=O)NC(=O)Cc2ccc(NC[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm0101500 | ||
| CHEMBL348501 | 238543 | 0 | None | -501 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 515 | 11 | 4 | 6 | 3.8 | Cc1ccc(S(=O)(=O)NC(=O)Cc2ccc(NC[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm0101500 | ||
| 11647543 | 275612 | 0 | None | -2511 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 424 | 9 | 4 | 4 | 4.8 | C[C@H](CNc1cccc(-c2ccccc2C(=O)O)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0509445 | ||
| CHEMBL377028 | 275612 | 0 | None | -2511 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 424 | 9 | 4 | 4 | 4.8 | C[C@H](CNc1cccc(-c2ccccc2C(=O)O)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0509445 | ||
| 145987168 | 332007 | 0 | None | -316 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 354 | 7 | 4 | 5 | 2.1 | COc1cccc(CCNC(CO)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.ejmech.2018.04.041 | ||
| CHEMBL4291941 | 332007 | 0 | None | -316 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 354 | 7 | 4 | 5 | 2.1 | COc1cccc(CCNC(CO)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.ejmech.2018.04.041 | ||
| 42625897 | 26744 | 0 | None | -501 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 564 | 18 | 4 | 8 | 3.1 | O=S(=O)(c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)N1CCOCC1 | 10.1021/jm801016j | ||
| CHEMBL1186265 | 26744 | 0 | None | -501 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 564 | 18 | 4 | 8 | 3.1 | O=S(=O)(c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)N1CCOCC1 | 10.1021/jm801016j | ||
| 42625821 | 26812 | 0 | None | -630 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 522 | 18 | 4 | 7 | 3.4 | CN(C)S(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| CHEMBL1186678 | 26812 | 0 | None | -630 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 522 | 18 | 4 | 7 | 3.4 | CN(C)S(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| 44237614 | 121024 | 0 | None | -31622 | 2 | Rat | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 490 | 9 | 6 | 5 | 3.6 | O=C(NCc1ccc(F)cc1)Nc1cccc(CCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.bmcl.2010.12.096 | ||
| CHEMBL1682216 | 121024 | 0 | None | -31622 | 2 | Rat | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 490 | 9 | 6 | 5 | 3.6 | O=C(NCc1ccc(F)cc1)Nc1cccc(CCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.bmcl.2010.12.096 | ||
| 44331444 | 18619 | 0 | None | -524 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 709 | 13 | 5 | 8 | 4.2 | CC(C)N(Cc1cc(F)ccc1F)C(=O)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1 | 10.1016/s0960-894x(02)00608-x | ||
| CHEMBL100589 | 18619 | 0 | None | -524 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 709 | 13 | 5 | 8 | 4.2 | CC(C)N(Cc1cc(F)ccc1F)C(=O)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1 | 10.1016/s0960-894x(02)00608-x | ||
| 24824226 | 197748 | 0 | None | -1 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 439 | 11 | 3 | 4 | 4.3 | O=C(O)COc1ccc(Cc2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm701324c | ||
| CHEMBL270027 | 197748 | 0 | None | -1 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 439 | 11 | 3 | 4 | 4.3 | O=C(O)COc1ccc(Cc2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm701324c | ||
| 44579925 | 367640 | 0 | None | -6 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 445 | 9 | 3 | 4 | 5.4 | O=C(O)c1cc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)ccc1Cl | 10.1016/j.bmcl.2008.08.009 | ||
| CHEMBL484265 | 367640 | 0 | None | -6 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 445 | 9 | 3 | 4 | 5.4 | O=C(O)c1cc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)ccc1Cl | 10.1016/j.bmcl.2008.08.009 | ||
| 45483849 | 394270 | 0 | None | None | None | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 388 | 6 | 3 | 3 | 4.5 | CC(C)(Cc1cc(F)cc(F)c1)NCC(O)c1cc(Cl)c(N)c(Cl)c1 | 10.1016/j.bmcl.2009.10.013 | ||
| CHEMBL568060 | 394270 | 0 | None | None | None | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 388 | 6 | 3 | 3 | 4.5 | CC(C)(Cc1cc(F)cc(F)c1)NCC(O)c1cc(Cl)c(N)c(Cl)c1 | 10.1016/j.bmcl.2009.10.013 | ||
| 24936488 | 41518 | 0 | None | -3 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 414 | 7 | 3 | 8 | 2.7 | Cc1csc2ncnc(N3CCC(NCC(O)COc4ccc(O)cc4)CC3)c12 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258373 | 41518 | 0 | None | -3 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 414 | 7 | 3 | 8 | 2.7 | Cc1csc2ncnc(N3CCC(NCC(O)COc4ccc(O)cc4)CC3)c12 | 10.1016/j.bmcl.2010.08.039 | ||
| 44574759 | 352481 | 0 | None | None | None | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 470 | 12 | 3 | 6 | 3.6 | O=C(Cc1nccn1-c1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
| CHEMBL467082 | 352481 | 0 | None | None | None | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 470 | 12 | 3 | 6 | 3.6 | O=C(Cc1nccn1-c1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
| 24950570 | 349432 | 0 | None | -794 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 439 | 6 | 3 | 3 | 5.0 | O=C(O)c1ccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)cc2)CC3)cc1F | 10.1021/jm800222k | ||
| CHEMBL457629 | 349432 | 0 | None | -794 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 439 | 6 | 3 | 3 | 5.0 | O=C(O)c1ccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)cc2)CC3)cc1F | 10.1021/jm800222k | ||
| 44396532 | 139043 | 0 | None | -42 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 455 | 9 | 4 | 5 | 4.3 | C[C@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
| CHEMBL185836 | 139043 | 0 | None | -42 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 455 | 9 | 4 | 5 | 4.3 | C[C@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
| 44127478 | 389976 | 0 | None | 1 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 435 | 11 | 5 | 6 | 2.6 | NC(C(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccccc1 | 10.1016/j.ejmech.2009.01.022 | ||
| CHEMBL550743 | 389976 | 0 | None | 1 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 435 | 11 | 5 | 6 | 2.6 | NC(C(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccccc1 | 10.1016/j.ejmech.2009.01.022 | ||
| 2419 | 7043 | 56 | None | -1445 | 5 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.0c01195 | ||
| 5152 | 7043 | 56 | None | -1445 | 5 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.0c01195 | ||
| 559 | 7043 | 56 | None | -1445 | 5 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.0c01195 | ||
| CHEMBL1263 | 7043 | 56 | None | -1445 | 5 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.0c01195 | ||
| DB00938 | 7043 | 56 | None | -1445 | 5 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.0c01195 | ||
| 24950053 | 371208 | 0 | None | -117 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 443 | 7 | 3 | 5 | 5.1 | O=C(O)c1ccc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)s1 | 10.1021/jm800222k | ||
| CHEMBL497280 | 371208 | 0 | None | -117 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 443 | 7 | 3 | 5 | 5.1 | O=C(O)c1ccc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)s1 | 10.1021/jm800222k | ||
| 24950236 | 372230 | 0 | None | -89 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 534 | 9 | 4 | 5 | 6.8 | O=C(O)c1cc(NC2CCCCC2)cc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)c1 | 10.1021/jm800222k | ||
| CHEMBL509729 | 372230 | 0 | None | -89 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 534 | 9 | 4 | 5 | 6.8 | O=C(O)c1cc(NC2CCCCC2)cc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)c1 | 10.1021/jm800222k | ||
| 44579649 | 370224 | 0 | None | -12 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 408 | 10 | 3 | 6 | 3.4 | COc1ccc(Oc2cccc(CCNC[C@H](O)c3cccnc3)c2)cc1C(=O)O | 10.1016/j.bmcl.2008.08.009 | ||
| CHEMBL490415 | 370224 | 0 | None | -12 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 408 | 10 | 3 | 6 | 3.4 | COc1ccc(Oc2cccc(CCNC[C@H](O)c3cccnc3)c2)cc1C(=O)O | 10.1016/j.bmcl.2008.08.009 | ||
| 11224275 | 347589 | 0 | None | -1621 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 433 | 11 | 3 | 4 | 5.1 | CCCOc1cc(-c2ccc(CCN[C@@H](C)[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL453048 | 347589 | 0 | None | -1621 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 433 | 11 | 3 | 4 | 5.1 | CCCOc1cc(-c2ccc(CCN[C@@H](C)[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 45483839 | 394016 | 0 | None | None | None | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 380 | 7 | 3 | 3 | 4.8 | CCc1ccc(CC(C)(C)NCC(O)c2cc(Cl)c(N)c(Cl)c2)cc1 | 10.1016/j.bmcl.2009.10.013 | ||
| CHEMBL566353 | 394016 | 0 | None | None | None | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 380 | 7 | 3 | 3 | 4.8 | CCc1ccc(CC(C)(C)NCC(O)c2cc(Cl)c(N)c(Cl)c2)cc1 | 10.1016/j.bmcl.2009.10.013 | ||
| 45483852 | 393849 | 0 | None | -14 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 392 | 6 | 4 | 5 | 2.6 | CC(C)(Cc1cc(F)cc(F)c1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.10.013 | ||
| CHEMBL565267 | 393849 | 0 | None | -14 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 392 | 6 | 4 | 5 | 2.6 | CC(C)(Cc1cc(F)cc(F)c1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.10.013 | ||
| 155564766 | 349484 | 0 | None | -181 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 368 | 8 | 4 | 5 | 2.5 | COc1cccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.bmc.2018.10.043 | ||
| CHEMBL4577508 | 349484 | 0 | None | -181 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 368 | 8 | 4 | 5 | 2.5 | COc1cccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.bmc.2018.10.043 | ||
| 12578 | 1929 | 47 | None | 154 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 219 | 4 | 3 | 4 | 1.2 | CC(C)NCC(C1=CC(=C(C=C1)N)C#N)O | 10.1021/jm400348g | ||
| 2755 | 1929 | 47 | None | 154 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 219 | 4 | 3 | 4 | 1.2 | CC(C)NCC(C1=CC(=C(C=C1)N)C#N)O | 10.1021/jm400348g | ||
| CHEMBL1374751 | 1929 | 47 | None | 154 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 219 | 4 | 3 | 4 | 1.2 | CC(C)NCC(C1=CC(=C(C=C1)N)C#N)O | 10.1021/jm400348g | ||
| 164620479 | 371746 | 0 | None | -288 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 396 | 8 | 4 | 5 | 3.3 | COc1cccc(CCC(C)(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028596 | 371746 | 0 | None | -288 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 396 | 8 | 4 | 5 | 3.3 | COc1cccc(CCC(C)(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.ejmech.2021.113697 | ||
| 145985242 | 330421 | 0 | None | -6 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 443 | 11 | 4 | 4 | 3.9 | O=C(Cc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]ccc23)cc1 | 10.1016/j.ejmech.2018.03.032 | ||
| CHEMBL4241613 | 330421 | 0 | None | -6 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 443 | 11 | 4 | 4 | 3.9 | O=C(Cc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]ccc23)cc1 | 10.1016/j.ejmech.2018.03.032 | ||
| 164617235 | 371722 | 0 | None | -251 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 396 | 8 | 4 | 5 | 3.3 | COc1ccc(CCC(C)(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028422 | 371722 | 0 | None | -251 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 396 | 8 | 4 | 5 | 3.3 | COc1ccc(CCC(C)(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1016/j.ejmech.2021.113697 | ||
| 11810896 | 238234 | 0 | None | -2 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 375 | 9 | 4 | 4 | 3.1 | CC(=O)NCc1ccc(NC[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1 | 10.1021/jm0101500 | ||
| CHEMBL345304 | 238234 | 0 | None | -2 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 375 | 9 | 4 | 4 | 3.1 | CC(=O)NCc1ccc(NC[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1 | 10.1021/jm0101500 | ||
| 1499 | 4274 | 42 | None | 2 | 31 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2011.05.064 | ||
| 3779 | 4274 | 42 | None | 2 | 31 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2011.05.064 | ||
| 536 | 4274 | 42 | None | 2 | 31 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL434 | 4274 | 42 | None | 2 | 31 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2011.05.064 | ||
| DB01064 | 4274 | 42 | None | 2 | 31 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2011.05.064 | ||
| 9871386 | 221758 | 5 | None | -35 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 521 | 10 | 5 | 6 | 5.5 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3290999 | 221758 | 5 | None | -35 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 521 | 10 | 5 | 6 | 5.5 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1 | 10.1016/j.bmcl.2014.04.095 | ||
| 66796015 | 221944 | 0 | None | -35 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 474 | 11 | 6 | 7 | 3.2 | NCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298328 | 221944 | 0 | None | -35 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 474 | 11 | 6 | 7 | 3.2 | NCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| 56943518 | 221945 | 0 | None | -25 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 488 | 12 | 6 | 7 | 3.6 | NCCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298329 | 221945 | 0 | None | -25 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 488 | 12 | 6 | 7 | 3.6 | NCCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| 56943545 | 221946 | 0 | None | -28 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 502 | 13 | 6 | 7 | 4.0 | NCCCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298330 | 221946 | 0 | None | -28 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 502 | 13 | 6 | 7 | 4.0 | NCCCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| 56943546 | 221962 | 0 | None | -25 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 518 | 14 | 6 | 8 | 3.2 | NCCOCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298691 | 221962 | 0 | None | -25 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 518 | 14 | 6 | 8 | 3.2 | NCCOCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| 56943517 | 221988 | 0 | None | -3 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 621 | 13 | 5 | 9 | 2.8 | CS(=O)(=O)N1CCN(CCOc2ccc(Nc3ccc(CCNC[C@H](O)c4ccc(O)c5[nH]c(=O)ccc45)cc3)cc2)CC1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298832 | 221988 | 0 | None | -3 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 621 | 13 | 5 | 9 | 2.8 | CS(=O)(=O)N1CCN(CCOc2ccc(Nc3ccc(CCNC[C@H](O)c4ccc(O)c5[nH]c(=O)ccc45)cc3)cc2)CC1 | 10.1016/j.bmcl.2014.04.095 | ||
| 1499 | 4274 | 42 | None | 2 | 31 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2011.08.043 | ||
| 3779 | 4274 | 42 | None | 2 | 31 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2011.08.043 | ||
| 536 | 4274 | 42 | None | 2 | 31 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL434 | 4274 | 42 | None | 2 | 31 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2011.08.043 | ||
| DB01064 | 4274 | 42 | None | 2 | 31 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2011.08.043 | ||
| 56678973 | 138869 | 0 | None | -7 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 555 | 18 | 6 | 6 | 5.6 | O=C(Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)NC1CCCCC1 | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1852541 | 138869 | 0 | None | -7 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 555 | 18 | 6 | 6 | 5.6 | O=C(Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)NC1CCCCC1 | 10.1016/j.bmc.2011.08.043 | ||
| 56658407 | 138928 | 0 | None | -15 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 487 | 18 | 6 | 6 | 3.3 | NC(=O)NCc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1852796 | 138928 | 0 | None | -15 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 487 | 18 | 6 | 6 | 3.3 | NC(=O)NCc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.08.043 | ||
| 1499 | 4274 | 42 | None | 2 | 31 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm801016j | ||
| 3779 | 4274 | 42 | None | 2 | 31 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm801016j | ||
| 536 | 4274 | 42 | None | 2 | 31 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm801016j | ||
| CHEMBL434 | 4274 | 42 | None | 2 | 31 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm801016j | ||
| DB01064 | 4274 | 42 | None | 2 | 31 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm801016j | ||
| 1499 | 4274 | 42 | None | 2 | 31 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm100326d | ||
| 3779 | 4274 | 42 | None | 2 | 31 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm100326d | ||
| 536 | 4274 | 42 | None | 2 | 31 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm100326d | ||
| CHEMBL434 | 4274 | 42 | None | 2 | 31 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm100326d | ||
| DB01064 | 4274 | 42 | None | 2 | 31 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm100326d | ||
| 10225563 | 38126 | 0 | None | -19 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 445 | 16 | 4 | 6 | 3.9 | Cc1cc(C)cc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm100326d | ||
| CHEMBL1198889 | 38126 | 0 | None | -19 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 445 | 16 | 4 | 6 | 3.9 | Cc1cc(C)cc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm100326d | ||
| 9871386 | 221758 | 5 | None | -35 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 521 | 10 | 5 | 6 | 5.5 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1 | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL3290999 | 221758 | 5 | None | -35 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 521 | 10 | 5 | 6 | 5.5 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1 | 10.1016/j.bmcl.2014.04.069 | ||
| 45271517 | 389596 | 0 | None | -3 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 499 | 10 | 4 | 4 | 4.8 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(Br)cc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL549487 | 389596 | 0 | None | -3 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 499 | 10 | 4 | 4 | 4.8 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(Br)cc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| 45272431 | 389776 | 0 | None | -6 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 547 | 10 | 4 | 4 | 4.7 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(I)cc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL549960 | 389776 | 0 | None | -6 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 547 | 10 | 4 | 4 | 4.7 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(I)cc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| 44517694 | 389915 | 0 | None | -3 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 451 | 11 | 4 | 5 | 4.1 | COc1cccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)c1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL550445 | 389915 | 0 | None | -3 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 451 | 11 | 4 | 5 | 4.1 | COc1cccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)c1 | 10.1016/j.bmc.2009.06.031 | ||
| 44517696 | 391867 | 0 | None | -3 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 451 | 11 | 4 | 5 | 4.1 | COc1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL557705 | 391867 | 0 | None | -3 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 451 | 11 | 4 | 5 | 4.1 | COc1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| 24949891 | 371387 | 0 | None | -46 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 438 | 7 | 3 | 5 | 4.4 | O=C(O)c1ccc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)nc1 | 10.1021/jm800222k | ||
| CHEMBL498703 | 371387 | 0 | None | -46 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 438 | 7 | 3 | 5 | 4.4 | O=C(O)c1ccc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)nc1 | 10.1021/jm800222k | ||
| 24937269 | 41516 | 0 | None | -2 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 490 | 9 | 3 | 8 | 3.8 | OCc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258371 | 41516 | 0 | None | -2 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 490 | 9 | 3 | 8 | 3.8 | OCc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | ||
| 44127481 | 392699 | 0 | None | -1 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 450 | 12 | 4 | 6 | 3.2 | COc1cccc(CC(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)c1 | 10.1016/j.ejmech.2009.01.022 | ||
| CHEMBL561211 | 392699 | 0 | None | -1 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 450 | 12 | 4 | 6 | 3.2 | COc1cccc(CC(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)c1 | 10.1016/j.ejmech.2009.01.022 | ||
| 11189433 | 450351 | 0 | None | -57 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 424 | 6 | 4 | 5 | 3.4 | CC(C)(Cc1ccc(C(F)(F)F)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
| CHEMBL601430 | 450351 | 0 | None | -57 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 424 | 6 | 4 | 5 | 3.4 | CC(C)(Cc1ccc(C(F)(F)F)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
| 44396779 | 139348 | 0 | None | -17 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 611 | 12 | 4 | 8 | 5.1 | C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3ccccc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
| CHEMBL187209 | 139348 | 0 | None | -17 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 611 | 12 | 4 | 8 | 5.1 | C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3ccccc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
| 155551133 | 348064 | 0 | None | -446 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 340 | 7 | 4 | 5 | 1.9 | O=c1ccc2c(C(O)CNCCOc3ccccc3)ccc(O)c2[nH]1 | 10.1016/j.bmc.2018.10.043 | ||
| CHEMBL4542430 | 348064 | 0 | None | -446 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 340 | 7 | 4 | 5 | 1.9 | O=c1ccc2c(C(O)CNCCOc3ccccc3)ccc(O)c2[nH]1 | 10.1016/j.bmc.2018.10.043 | ||
| 24823127 | 198242 | 0 | None | -724 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 453 | 10 | 3 | 4 | 5.4 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm701324c | ||
| CHEMBL272584 | 198242 | 0 | None | -724 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 453 | 10 | 3 | 4 | 5.4 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm701324c | ||
| 24823127 | 198242 | 0 | None | -724 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 453 | 10 | 3 | 4 | 5.4 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1016/j.bmcl.2008.08.009 | ||
| CHEMBL272584 | 198242 | 0 | None | -724 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 453 | 10 | 3 | 4 | 5.4 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1016/j.bmcl.2008.08.009 | ||
| 44127050 | 393709 | 0 | None | 1 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 454 | 11 | 4 | 5 | 3.8 | O=C(Cc1ccccc1Cl)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| CHEMBL564544 | 393709 | 0 | None | 1 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 454 | 11 | 4 | 5 | 3.8 | O=C(Cc1ccccc1Cl)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| 24823127 | 198242 | 0 | None | -724 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 453 | 10 | 3 | 4 | 5.4 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL272584 | 198242 | 0 | None | -724 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 453 | 10 | 3 | 4 | 5.4 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 24823127 | 198242 | 0 | None | -724 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 453 | 10 | 3 | 4 | 5.4 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm9000709 | ||
| CHEMBL272584 | 198242 | 0 | None | -724 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 453 | 10 | 3 | 4 | 5.4 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm9000709 | ||
| 44589400 | 387056 | 0 | None | -1 | 3 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 446 | 11 | 2 | 5 | 4.2 | COc1ccc(CCNCC(O)COc2ccc3c(c2)CCCN3Cc2ccccc2)cc1 | 10.1016/j.bmc.2008.11.030 | ||
| CHEMBL530556 | 387056 | 0 | None | -1 | 3 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 446 | 11 | 2 | 5 | 4.2 | COc1ccc(CCNCC(O)COc2ccc3c(c2)CCCN3Cc2ccccc2)cc1 | 10.1016/j.bmc.2008.11.030 | ||
| 45271886 | 390089 | 0 | None | -724 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 508 | 11 | 3 | 5 | 4.5 | CC(C)Cc1cc(-c2ccc(C[C@@H](C)NC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1016/j.bmcl.2009.06.083 | ||
| CHEMBL551532 | 390089 | 0 | None | -724 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 508 | 11 | 3 | 5 | 4.5 | CC(C)Cc1cc(-c2ccc(C[C@@H](C)NC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1016/j.bmcl.2009.06.083 | ||
| 42639806 | 26786 | 0 | None | -40 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 468 | 10 | 3 | 6 | 2.9 | COc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| CHEMBL1186584 | 26786 | 0 | None | -40 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 468 | 10 | 3 | 6 | 2.9 | COc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| 44331346 | 475209 | 0 | None | -120 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 638 | 17 | 5 | 8 | 4.2 | CCCCCCCCC(=O)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1 | 10.1016/s0960-894x(02)00608-x | ||
| CHEMBL99599 | 475209 | 0 | None | -120 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 638 | 17 | 5 | 8 | 4.2 | CCCCCCCCC(=O)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1 | 10.1016/s0960-894x(02)00608-x | ||
| 172461665 | 388926 | 0 | None | 134 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 366 | 7 | 2 | 6 | 2.4 | O[C@@H](CNCC1COc2ccccc2O1)COc1cccc2cnccc12 | 10.1016/j.ejmech.2022.114961 | ||
| CHEMBL5427527 | 388926 | 0 | None | 134 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 366 | 7 | 2 | 6 | 2.4 | O[C@@H](CNCC1COc2ccccc2O1)COc1cccc2cnccc12 | 10.1016/j.ejmech.2022.114961 | ||
| 44560791 | 372254 | 0 | None | -154 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 376 | 8 | 3 | 4 | 3.7 | C[C@H](Cc1ccc(-c2ccc(C(=O)O)cc2)cc1)NC[C@H](O)c1cccnc1 | 10.1021/jm8000345 | ||
| CHEMBL510102 | 372254 | 0 | None | -154 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 376 | 8 | 3 | 4 | 3.7 | C[C@H](Cc1ccc(-c2ccc(C(=O)O)cc2)cc1)NC[C@H](O)c1cccnc1 | 10.1021/jm8000345 | ||
| 42639808 | 26793 | 0 | None | -1230 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 522 | 11 | 3 | 6 | 4.2 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1OC1CCCC1 | 10.1021/jm9000709 | ||
| CHEMBL1186601 | 26793 | 0 | None | -1230 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 522 | 11 | 3 | 6 | 4.2 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1OC1CCCC1 | 10.1021/jm9000709 | ||
| 10302915 | 19684 | 0 | None | -23 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 554 | 12 | 5 | 6 | 4.0 | O=C(NCc1c(F)cccc1F)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
| CHEMBL106884 | 19684 | 0 | None | -23 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 554 | 12 | 5 | 6 | 4.0 | O=C(NCc1c(F)cccc1F)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
| 44127681 | 389978 | 0 | None | 2 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 420 | 11 | 4 | 5 | 3.1 | O=C(Cc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| CHEMBL550746 | 389978 | 0 | None | 2 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 420 | 11 | 4 | 5 | 3.1 | O=C(Cc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| 164623544 | 371771 | 0 | None | -2754 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 406 | 7 | 4 | 4 | 3.5 | O=c1ccc2c(C(O)CNCCCc3cccc(C(F)(F)F)c3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028764 | 371771 | 0 | None | -2754 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 406 | 7 | 4 | 4 | 3.5 | O=c1ccc2c(C(O)CNCCCc3cccc(C(F)(F)F)c3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2021.113697 | ||
| 24949722 | 349526 | 0 | None | -223 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 455 | 6 | 3 | 3 | 5.3 | O=C(O)c1ccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(C(F)(F)F)cc2)CC3)cc1 | 10.1021/jm800222k | ||
| CHEMBL457839 | 349526 | 0 | None | -223 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 455 | 6 | 3 | 3 | 5.3 | O=C(O)c1ccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(C(F)(F)F)cc2)CC3)cc1 | 10.1021/jm800222k | ||
| 11476004 | 347588 | 0 | None | -954 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 433 | 10 | 3 | 4 | 5.1 | CC(C)Oc1cc(-c2ccc(CCN[C@@H](C)[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL453047 | 347588 | 0 | None | -954 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 433 | 10 | 3 | 4 | 5.1 | CC(C)Oc1cc(-c2ccc(CCN[C@@H](C)[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 45269853 | 393541 | 0 | None | -4 | 2 | Human | 4.1 | pEC50 | = | 4.1 | Functional | ChEMBL | 426 | 11 | 3 | 5 | 3.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1)c1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL563872 | 393541 | 0 | None | -4 | 2 | Human | 4.1 | pEC50 | = | 4.1 | Functional | ChEMBL | 426 | 11 | 3 | 5 | 3.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1)c1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| 9799092 | 100572 | 0 | None | -5 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 362 | 9 | 4 | 4 | 3.1 | C[C@H](CNc1ccc(CC(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| CHEMBL154419 | 100572 | 0 | None | -5 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 362 | 9 | 4 | 4 | 3.1 | C[C@H](CNc1ccc(CC(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| 9799092 | 100572 | 0 | None | -5 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 362 | 9 | 4 | 4 | 3.1 | C[C@H](CNc1ccc(CC(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0509445 | ||
| CHEMBL154419 | 100572 | 0 | None | -5 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 362 | 9 | 4 | 4 | 3.1 | C[C@H](CNc1ccc(CC(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0509445 | ||
| 56678847 | 138669 | 0 | None | -125 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 527 | 18 | 5 | 7 | 3.2 | O=C1CN(Cc2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)C(=O)N1 | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1851691 | 138669 | 0 | None | -125 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 527 | 18 | 5 | 7 | 3.2 | O=C1CN(Cc2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)C(=O)N1 | 10.1016/j.bmc.2011.05.064 | ||
| 56678845 | 138698 | 0 | None | -39 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 513 | 17 | 5 | 7 | 3.2 | O=C1CNC(=O)N1c1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1851839 | 138698 | 0 | None | -39 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 513 | 17 | 5 | 7 | 3.2 | O=C1CNC(=O)N1c1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 | 10.1016/j.bmc.2011.05.064 | ||
| 9871096 | 138940 | 0 | None | -125 | 4 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 513 | 17 | 5 | 7 | 3.2 | O=C1CNC(=O)N1c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1852860 | 138940 | 0 | None | -125 | 4 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 513 | 17 | 5 | 7 | 3.2 | O=C1CNC(=O)N1c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.05.064 | ||
| 9799092 | 100572 | 0 | None | -5 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 362 | 9 | 4 | 4 | 3.1 | C[C@H](CNc1ccc(CC(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| CHEMBL154419 | 100572 | 0 | None | -5 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 362 | 9 | 4 | 4 | 3.1 | C[C@H](CNc1ccc(CC(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| 44441229 | 194166 | 0 | None | -100 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 431 | 9 | 4 | 6 | 4.3 | C[C@H](CNc1cccc(-c2nc(C(=O)O)cs2)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| CHEMBL247315 | 194166 | 0 | None | -100 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 431 | 9 | 4 | 6 | 4.3 | C[C@H](CNc1cccc(-c2nc(C(=O)O)cs2)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| 46833103 | 21733 | 0 | None | -10 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 433 | 16 | 5 | 7 | 3.0 | OCc1cc([C@@H](O)CNCCCCCCOCCOCc2ccc(O)cc2)ccc1O | 10.1021/jm100326d | ||
| CHEMBL1086535 | 21733 | 0 | None | -10 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 433 | 16 | 5 | 7 | 3.0 | OCc1cc([C@@H](O)CNCCCCCCOCCOCc2ccc(O)cc2)ccc1O | 10.1021/jm100326d | ||
| 11060184 | 238449 | 0 | None | -1000 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 501 | 11 | 4 | 6 | 3.5 | C[C@H](CNc1ccc(CC(=O)NS(=O)(=O)c2ccccc2)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| CHEMBL347616 | 238449 | 0 | None | -1000 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 501 | 11 | 4 | 6 | 3.5 | C[C@H](CNc1ccc(CC(=O)NS(=O)(=O)c2ccccc2)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| 9823696 | 157440 | 0 | None | -501 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 424 | 9 | 4 | 4 | 4.7 | Cc1ccc(C(=O)O)cc1-c1cccc(NCCNC[C@H](O)c2cccc(Cl)c2)c1 | 10.1021/jm0509445 | ||
| CHEMBL204827 | 157440 | 0 | None | -501 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 424 | 9 | 4 | 4 | 4.7 | Cc1ccc(C(=O)O)cc1-c1cccc(NCCNC[C@H](O)c2cccc(Cl)c2)c1 | 10.1021/jm0509445 | ||
| 11495581 | 158954 | 0 | None | -25 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 425 | 9 | 4 | 5 | 4.2 | C[C@H](CNc1cccc(-c2ncccc2C(=O)O)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0509445 | ||
| CHEMBL208328 | 158954 | 0 | None | -25 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 425 | 9 | 4 | 5 | 4.2 | C[C@H](CNc1cccc(-c2ncccc2C(=O)O)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0509445 | ||
| 11546349 | 278566 | 0 | None | -25 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 424 | 9 | 4 | 4 | 4.8 | C[C@H](CNc1cccc(-c2ccc(C(=O)O)cc2)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0509445 | ||
| CHEMBL383511 | 278566 | 0 | None | -25 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 424 | 9 | 4 | 4 | 4.8 | C[C@H](CNc1cccc(-c2ccc(C(=O)O)cc2)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0509445 | ||
| 2419 | 7043 | 56 | None | -1445 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.05.097 | ||
| 5152 | 7043 | 56 | None | -1445 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.05.097 | ||
| 559 | 7043 | 56 | None | -1445 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.05.097 | ||
| CHEMBL1263 | 7043 | 56 | None | -1445 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.05.097 | ||
| DB00938 | 7043 | 56 | None | -1445 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.05.097 | ||
| 2419 | 7043 | 56 | None | -1445 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2011.05.064 | ||
| 5152 | 7043 | 56 | None | -1445 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2011.05.064 | ||
| 559 | 7043 | 56 | None | -1445 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1263 | 7043 | 56 | None | -1445 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2011.05.064 | ||
| DB00938 | 7043 | 56 | None | -1445 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2011.05.064 | ||
| 2419 | 7043 | 56 | None | -1445 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2011.08.043 | ||
| 5152 | 7043 | 56 | None | -1445 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2011.08.043 | ||
| 559 | 7043 | 56 | None | -1445 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1263 | 7043 | 56 | None | -1445 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2011.08.043 | ||
| DB00938 | 7043 | 56 | None | -1445 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2011.08.043 | ||
| 2419 | 7043 | 56 | None | -1445 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm801016j | ||
| 5152 | 7043 | 56 | None | -1445 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm801016j | ||
| 559 | 7043 | 56 | None | -1445 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm801016j | ||
| CHEMBL1263 | 7043 | 56 | None | -1445 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm801016j | ||
| DB00938 | 7043 | 56 | None | -1445 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm801016j | ||
| 2419 | 7043 | 56 | None | -1445 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm100326d | ||
| 5152 | 7043 | 56 | None | -1445 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm100326d | ||
| 559 | 7043 | 56 | None | -1445 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm100326d | ||
| CHEMBL1263 | 7043 | 56 | None | -1445 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm100326d | ||
| DB00938 | 7043 | 56 | None | -1445 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm100326d | ||
| 10940242 | 330098 | 0 | None | -79 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 515 | 12 | 4 | 6 | 3.8 | C[C@H](CNc1ccc(CCS(=O)(=O)NC(=O)c2ccccc2)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| CHEMBL422876 | 330098 | 0 | None | -79 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 515 | 12 | 4 | 6 | 3.8 | C[C@H](CNc1ccc(CCS(=O)(=O)NC(=O)c2ccccc2)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| 42625743 | 26869 | 0 | None | -39 | 3 | Human | 4.1 | pEC50 | = | 4.1 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCCCOCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| CHEMBL1186943 | 26869 | 0 | None | -39 | 3 | Human | 4.1 | pEC50 | = | 4.1 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCCCOCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| 559929 | 19239 | 7 | None | 4 | 2 | Guinea pig | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 273 | 5 | 4 | 5 | 1.4 | CC(C)(C)NCC(O)COc1ccc(O)c(O)c1F | 10.1021/jm00107a027 | ||
| CHEMBL10453 | 19239 | 7 | None | 4 | 2 | Guinea pig | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 273 | 5 | 4 | 5 | 1.4 | CC(C)(C)NCC(O)COc1ccc(O)c(O)c1F | 10.1021/jm00107a027 | ||
| 44419332 | 278956 | 0 | None | -1 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 505 | 11 | 4 | 8 | 2.5 | Cn1c(=O)[nH]c2cccc(OC[C@@H](O)CNC(C)(C)Cc3ccc(Oc4ccc(C(N)=O)cn4)cc3)c21 | 10.1016/j.bmcl.2006.08.010 | ||
| CHEMBL386016 | 278956 | 0 | None | -1 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 505 | 11 | 4 | 8 | 2.5 | Cn1c(=O)[nH]c2cccc(OC[C@@H](O)CNC(C)(C)Cc3ccc(Oc4ccc(C(N)=O)cn4)cc3)c21 | 10.1016/j.bmcl.2006.08.010 | ||
| 46889771 | 21323 | 0 | None | 2 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 549 | 7 | 3 | 6 | 4.9 | O=C1c2cccc3cc(O)cc(c23)C(=O)N1CC1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1 | 10.1016/j.bmcl.2010.04.009 | ||
| CHEMBL1084706 | 21323 | 0 | None | 2 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 549 | 7 | 3 | 6 | 4.9 | O=C1c2cccc3cc(O)cc(c23)C(=O)N1CC1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1 | 10.1016/j.bmcl.2010.04.009 | ||
| 45268136 | 393190 | 0 | None | -2 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 466 | 11 | 4 | 6 | 4.0 | O=[N+]([O-])c1cccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)c1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL562669 | 393190 | 0 | None | -2 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 466 | 11 | 4 | 6 | 4.0 | O=[N+]([O-])c1cccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)c1 | 10.1016/j.bmc.2009.06.031 | ||
| 44560792 | 347485 | 0 | None | -794 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 434 | 10 | 3 | 5 | 4.5 | CC(C)Oc1cc(-c2ccc(C[C@@H](C)NC[C@H](O)c3cccnc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL452798 | 347485 | 0 | None | -794 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 434 | 10 | 3 | 5 | 4.5 | CC(C)Oc1cc(-c2ccc(C[C@@H](C)NC[C@H](O)c3cccnc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 24950718 | 349972 | 0 | None | -398 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 435 | 6 | 3 | 3 | 5.2 | Cc1cc(C(=O)O)ccc1-c1ccc2c(c1)C[C@@H](NC[C@H](O)c1ccc(Cl)cc1)CC2 | 10.1021/jm800222k | ||
| CHEMBL458927 | 349972 | 0 | None | -398 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 435 | 6 | 3 | 3 | 5.2 | Cc1cc(C(=O)O)ccc1-c1ccc2c(c1)C[C@@H](NC[C@H](O)c1ccc(Cl)cc1)CC2 | 10.1021/jm800222k | ||
| 11272641 | 26711 | 0 | None | -6165 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 537 | 11 | 3 | 7 | 4.0 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
| CHEMBL1186009 | 26711 | 0 | None | -6165 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 537 | 11 | 3 | 7 | 4.0 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
| 25071020 | 385714 | 0 | None | -251 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 469 | 11 | 3 | 5 | 5.5 | CC(C)Oc1ccc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc1C(=O)O | 10.1016/j.bmcl.2008.08.009 | ||
| CHEMBL523265 | 385714 | 0 | None | -251 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 469 | 11 | 3 | 5 | 5.5 | CC(C)Oc1ccc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc1C(=O)O | 10.1016/j.bmcl.2008.08.009 | ||
| 24949726 | 372665 | 0 | None | -457 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 435 | 6 | 3 | 3 | 5.2 | Cc1cc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)cc2)CC3)ccc1C(=O)O | 10.1021/jm800222k | ||
| CHEMBL514265 | 372665 | 0 | None | -457 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 435 | 6 | 3 | 3 | 5.2 | Cc1cc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)cc2)CC3)ccc1C(=O)O | 10.1021/jm800222k | ||
| 44127479 | 392807 | 0 | None | 10 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 454 | 11 | 4 | 5 | 3.8 | O=C(Cc1cccc(Cl)c1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| CHEMBL561348 | 392807 | 0 | None | 10 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 454 | 11 | 4 | 5 | 3.8 | O=C(Cc1cccc(Cl)c1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| 24895359 | 375521 | 0 | None | -104 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 405 | 9 | 3 | 4 | 4.3 | COc1cc(-c2ccc(C[C@@H](C)NC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL520903 | 375521 | 0 | None | -104 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 405 | 9 | 3 | 4 | 4.3 | COc1cc(-c2ccc(C[C@@H](C)NC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 145989075 | 331891 | 0 | None | -524 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 324 | 6 | 4 | 4 | 2.1 | O=c1ccc2c(C(CO)NCCc3ccccc3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2018.04.041 | ||
| CHEMBL4289813 | 331891 | 0 | None | -524 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 324 | 6 | 4 | 4 | 2.1 | O=c1ccc2c(C(CO)NCCc3ccccc3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2018.04.041 | ||
| 145994130 | 332166 | 0 | None | -83 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 338 | 7 | 4 | 4 | 2.5 | O=c1ccc2c(C(CO)NCCCc3ccccc3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2018.04.041 | ||
| CHEMBL4294937 | 332166 | 0 | None | -83 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 338 | 7 | 4 | 4 | 2.5 | O=c1ccc2c(C(CO)NCCCc3ccccc3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2018.04.041 | ||
| 24894315 | 347090 | 0 | None | -165 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 469 | 11 | 3 | 5 | 5.2 | CC(C)Oc1cc(-c2ccc(OCCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL451772 | 347090 | 0 | None | -165 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 469 | 11 | 3 | 5 | 5.2 | CC(C)Oc1cc(-c2ccc(OCCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 44580042 | 385639 | 0 | None | -26 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 396 | 9 | 3 | 5 | 3.6 | O=C(O)c1cc(Oc2cccc(CCNC[C@H](O)c3cccnc3)c2)ccc1F | 10.1016/j.bmcl.2008.08.009 | ||
| CHEMBL522641 | 385639 | 0 | None | -26 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 396 | 9 | 3 | 5 | 3.6 | O=C(O)c1cc(Oc2cccc(CCNC[C@H](O)c3cccnc3)c2)ccc1F | 10.1016/j.bmcl.2008.08.009 | ||
| 42639491 | 26839 | 0 | None | -1659 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 552 | 11 | 3 | 6 | 5.3 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1SC1CCCCC1 | 10.1021/jm9000709 | ||
| CHEMBL1186805 | 26839 | 0 | None | -1659 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 552 | 11 | 3 | 6 | 5.3 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1SC1CCCCC1 | 10.1021/jm9000709 | ||
| 44396738 | 251939 | 0 | None | -77 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 655 | 13 | 5 | 9 | 4.8 | C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3ccc(C(=O)O)cc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
| CHEMBL362763 | 251939 | 0 | None | -77 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 655 | 13 | 5 | 9 | 4.8 | C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3ccc(C(=O)O)cc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
| 10142284 | 19228 | 0 | None | -1 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 510 | 11 | 5 | 6 | 3.9 | O=C(NC1CCCCC1)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
| CHEMBL104481 | 19228 | 0 | None | -1 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 510 | 11 | 5 | 6 | 3.9 | O=C(NC1CCCCC1)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
| 1239 | 3447 | 41 | None | -67 | 5 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2009.10.013 | ||
| 3410 | 3447 | 41 | None | -67 | 5 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2009.10.013 | ||
| 3465 | 3447 | 41 | None | -67 | 5 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2009.10.013 | ||
| CHEMBL1256786 | 3447 | 41 | None | -67 | 5 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2009.10.013 | ||
| DB00983 | 3447 | 41 | None | -67 | 5 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2009.10.013 | ||
| 1239 | 3447 | 41 | None | -67 | 5 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2009.06.104 | ||
| 3410 | 3447 | 41 | None | -67 | 5 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2009.06.104 | ||
| 3465 | 3447 | 41 | None | -67 | 5 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2009.06.104 | ||
| CHEMBL1256786 | 3447 | 41 | None | -67 | 5 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2009.06.104 | ||
| DB00983 | 3447 | 41 | None | -67 | 5 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2009.06.104 | ||
| 1239 | 3447 | 41 | None | -67 | 5 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2009.12.087 | ||
| 3410 | 3447 | 41 | None | -67 | 5 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2009.12.087 | ||
| 3465 | 3447 | 41 | None | -67 | 5 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2009.12.087 | ||
| CHEMBL1256786 | 3447 | 41 | None | -67 | 5 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2009.12.087 | ||
| DB00983 | 3447 | 41 | None | -67 | 5 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2009.12.087 | ||
| 24895361 | 368665 | 0 | None | -933 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 433 | 10 | 3 | 4 | 5.1 | CC(C)Oc1cc(-c2ccc(C[C@@H](C)NC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL486051 | 368665 | 0 | None | -933 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 433 | 10 | 3 | 4 | 5.1 | CC(C)Oc1cc(-c2ccc(C[C@@H](C)NC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 155550964 | 348019 | 0 | None | -575 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 352 | 8 | 4 | 4 | 2.9 | O=c1ccc2c(C(O)CNCCCCc3ccccc3)ccc(O)c2[nH]1 | 10.1016/j.bmc.2018.10.043 | ||
| CHEMBL4541263 | 348019 | 0 | None | -575 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 352 | 8 | 4 | 4 | 2.9 | O=c1ccc2c(C(O)CNCCCCc3ccccc3)ccc(O)c2[nH]1 | 10.1016/j.bmc.2018.10.043 | ||
| 10232593 | 19733 | 0 | None | -1 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 609 | 17 | 6 | 7 | 4.8 | CCCCCCCCNC(=O)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)c4c3CCC(=O)N4)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
| CHEMBL107129 | 19733 | 0 | None | -1 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 609 | 17 | 6 | 7 | 4.8 | CCCCCCCCNC(=O)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)c4c3CCC(=O)N4)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
| 9873245 | 18862 | 0 | None | -18 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 590 | 17 | 5 | 7 | 4.3 | CCCCCCCCNC(=O)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3ccc(O)cc3)CC2)cc1 | 10.1016/s0960-894x(02)00607-8 | ||
| CHEMBL102194 | 18862 | 0 | None | -18 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 590 | 17 | 5 | 7 | 4.3 | CCCCCCCCNC(=O)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3ccc(O)cc3)CC2)cc1 | 10.1016/s0960-894x(02)00607-8 | ||
| 10028830 | 7965 | 32 | None | -79 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 497 | 13 | 4 | 6 | 2.7 | CC(=O)NCC1=CC(=CC=C1)OC[C@H](CNCCC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)O | 10.1016/j.ejmech.2018.03.032 | ||
| 13196 | 7965 | 32 | None | -79 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 497 | 13 | 4 | 6 | 2.7 | CC(=O)NCC1=CC(=CC=C1)OC[C@H](CNCCC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)O | 10.1016/j.ejmech.2018.03.032 | ||
| CHEMBL4238084 | 7965 | 32 | None | -79 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 497 | 13 | 4 | 6 | 2.7 | CC(=O)NCC1=CC(=CC=C1)OC[C@H](CNCCC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)O | 10.1016/j.ejmech.2018.03.032 | ||
| 44237666 | 121026 | 0 | None | -44668 | 2 | Rat | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 548 | 10 | 6 | 5 | 5.0 | O=C(Nc1cccc(CCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1)NC(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2010.12.096 | ||
| CHEMBL1682218 | 121026 | 0 | None | -44668 | 2 | Rat | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 548 | 10 | 6 | 5 | 5.0 | O=C(Nc1cccc(CCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1)NC(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2010.12.096 | ||
| 24950059 | 348901 | 0 | None | -169 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 467 | 8 | 3 | 5 | 5.0 | COc1cc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)cc(C(=O)O)c1 | 10.1021/jm800222k | ||
| CHEMBL456352 | 348901 | 0 | None | -169 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 467 | 8 | 3 | 5 | 5.0 | COc1cc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)cc(C(=O)O)c1 | 10.1021/jm800222k | ||
| 24823466 | 27095 | 0 | None | 1 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 440 | 11 | 4 | 5 | 4.4 | O=C(O)COc1ccc(Nc2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm701324c | ||
| CHEMBL1188436 | 27095 | 0 | None | 1 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 440 | 11 | 4 | 5 | 4.4 | O=C(O)COc1ccc(Nc2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm701324c | ||
| 11270069 | 196063 | 0 | None | 6 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 328 | 6 | 3 | 2 | 4.1 | C[C@@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
| CHEMBL25823 | 196063 | 0 | None | 6 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 328 | 6 | 3 | 2 | 4.1 | C[C@@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
| 52949488 | 41416 | 0 | None | -3 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 490 | 9 | 2 | 8 | 4.4 | COc1ccccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258023 | 41416 | 0 | None | -3 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 490 | 9 | 2 | 8 | 4.4 | COc1ccccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | ||
| 155548071 | 347830 | 0 | None | -131 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 338 | 7 | 4 | 4 | 2.5 | O=c1ccc2c(C(O)CNCCCc3ccccc3)ccc(O)c2[nH]1 | 10.1016/j.bmc.2018.10.043 | ||
| CHEMBL4536813 | 347830 | 0 | None | -131 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 338 | 7 | 4 | 4 | 2.5 | O=c1ccc2c(C(O)CNCCCc3ccccc3)ccc(O)c2[nH]1 | 10.1016/j.bmc.2018.10.043 | ||
| 56598831 | 180000 | 0 | None | 1023 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 459 | 15 | 5 | 7 | 2.3 | O=C(NCCNCC(O)COc1ccc(OCCOCC2CC2)cc1)Nc1ccc(O)cc1 | 10.1021/jm400348g | ||
| CHEMBL2365796 | 180000 | 0 | None | 1023 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 459 | 15 | 5 | 7 | 2.3 | O=C(NCCNCC(O)COc1ccc(OCCOCC2CC2)cc1)Nc1ccc(O)cc1 | 10.1021/jm400348g | ||
| 45101522 | 425772 | 0 | None | -5 | 2 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 578 | 15 | 7 | 9 | 2.0 | CC(C)(Cc1ccc(NC(=O)CCCNCCCS(=O)(=O)O)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.06.104 | ||
| CHEMBL585751 | 425772 | 0 | None | -5 | 2 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 578 | 15 | 7 | 9 | 2.0 | CC(C)(Cc1ccc(NC(=O)CCCNCCCS(=O)(=O)O)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.06.104 | ||
| 45272430 | 390286 | 0 | None | -8 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 439 | 10 | 4 | 4 | 4.2 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(F)cc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL552374 | 390286 | 0 | None | -8 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 439 | 10 | 4 | 4 | 4.2 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(F)cc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| 44517692 | 393705 | 0 | None | -4 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 466 | 11 | 4 | 6 | 4.0 | O=[N+]([O-])c1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL564516 | 393705 | 0 | None | -4 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 466 | 11 | 4 | 6 | 4.0 | O=[N+]([O-])c1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| 44237612 | 121019 | 0 | None | -4466 | 2 | Rat | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 472 | 9 | 6 | 5 | 3.4 | O=C(NCc1ccccc1)Nc1cccc(CCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.bmcl.2010.12.096 | ||
| CHEMBL1682211 | 121019 | 0 | None | -4466 | 2 | Rat | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 472 | 9 | 6 | 5 | 3.4 | O=C(NCc1ccccc1)Nc1cccc(CCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.bmcl.2010.12.096 | ||
| 11398536 | 26743 | 0 | None | -6309 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 535 | 11 | 4 | 6 | 4.7 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1NC1CCCCC1 | 10.1021/jm9000709 | ||
| CHEMBL1186241 | 26743 | 0 | None | -6309 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 535 | 11 | 4 | 6 | 4.7 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1NC1CCCCC1 | 10.1021/jm9000709 | ||
| 24895565 | 350655 | 0 | None | -575 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 475 | 11 | 3 | 5 | 5.5 | O=C(O)c1ccc(-c2ccc(OCCNC[C@H](O)c3ccccc3)cc2)cc1OC1CCCCC1 | 10.1021/jm8000345 | ||
| CHEMBL459862 | 350655 | 0 | None | -575 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 475 | 11 | 3 | 5 | 5.5 | O=C(O)c1ccc(-c2ccc(OCCNC[C@H](O)c3ccccc3)cc2)cc1OC1CCCCC1 | 10.1021/jm8000345 | ||
| 44127167 | 392940 | 0 | None | 1 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 421 | 11 | 4 | 6 | 2.5 | O=C(Cc1cccnc1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| CHEMBL561818 | 392940 | 0 | None | 1 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 421 | 11 | 4 | 6 | 2.5 | O=C(Cc1cccnc1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| 24949720 | 372647 | 0 | None | -2398 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 421 | 6 | 3 | 3 | 4.9 | O=C(O)c1ccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)cc2)CC3)cc1 | 10.1021/jm800222k | ||
| CHEMBL514102 | 372647 | 0 | None | -2398 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 421 | 6 | 3 | 3 | 4.9 | O=C(O)c1ccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)cc2)CC3)cc1 | 10.1021/jm800222k | ||
| 44565907 | 385701 | 0 | None | -138 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 498 | 11 | 4 | 8 | 2.3 | CCOc1cc(-c2ccc(CCNC[C@H](O)c3cnccc3N)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| CHEMBL523149 | 385701 | 0 | None | -138 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 498 | 11 | 4 | 8 | 2.3 | CCOc1cc(-c2ccc(CCNC[C@H](O)c3cnccc3N)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| 10205463 | 19837 | 0 | None | -10 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 470 | 11 | 5 | 6 | 3.0 | CC(C)NC(=O)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
| CHEMBL107633 | 19837 | 0 | None | -10 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 470 | 11 | 5 | 6 | 3.0 | CC(C)NC(=O)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
| 44127052 | 391669 | 0 | None | -2 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 450 | 12 | 4 | 6 | 3.2 | COc1ccccc1CC(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| CHEMBL557269 | 391669 | 0 | None | -2 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 450 | 12 | 4 | 6 | 3.2 | COc1ccccc1CC(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| 44574758 | 352456 | 0 | None | -18 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 394 | 11 | 4 | 5 | 2.2 | O=C(Cc1ncc[nH]1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
| CHEMBL466879 | 352456 | 0 | None | -18 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 394 | 11 | 4 | 5 | 2.2 | O=C(Cc1ncc[nH]1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
| 9896817 | 202940 | 0 | None | -6 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 628 | 12 | 6 | 6 | 6.7 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(CC4NCCc5cc(O)c(O)cc54)cc3)c2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| CHEMBL305891 | 202940 | 0 | None | -6 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 628 | 12 | 6 | 6 | 6.7 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(CC4NCCc5cc(O)c(O)cc54)cc3)c2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| 24823296 | 198330 | 0 | None | -2884 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 453 | 10 | 3 | 4 | 5.7 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1Oc1ccccc1 | 10.1021/jm701324c | ||
| CHEMBL273006 | 198330 | 0 | None | -2884 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 453 | 10 | 3 | 4 | 5.7 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1Oc1ccccc1 | 10.1021/jm701324c | ||
| 24949883 | 350068 | 0 | None | -691 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 439 | 6 | 3 | 3 | 5.0 | O=C(O)c1ccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)cc2)CC3)c(F)c1 | 10.1021/jm800222k | ||
| CHEMBL459133 | 350068 | 0 | None | -691 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 439 | 6 | 3 | 3 | 5.0 | O=C(O)c1ccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)cc2)CC3)c(F)c1 | 10.1021/jm800222k | ||
| 24823296 | 198330 | 0 | None | -2884 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 453 | 10 | 3 | 4 | 5.7 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1Oc1ccccc1 | 10.1021/jm9000709 | ||
| CHEMBL273006 | 198330 | 0 | None | -2884 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 453 | 10 | 3 | 4 | 5.7 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1Oc1ccccc1 | 10.1021/jm9000709 | ||
| 10648298 | 199908 | 0 | None | -251 | 3 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 477 | 10 | 5 | 7 | 2.1 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(CCC(=O)O)cc3)CC2)ccc1O | 10.1021/jm000544b | ||
| CHEMBL284788 | 199908 | 0 | None | -251 | 3 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 477 | 10 | 5 | 7 | 2.1 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(CCC(=O)O)cc3)CC2)ccc1O | 10.1021/jm000544b | ||
| 46232815 | 464627 | 0 | None | 5 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 412 | 6 | 4 | 5 | 3.7 | CC(C)(Cc1ccc(C(C)(C)C)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
| CHEMBL606208 | 464627 | 0 | None | 5 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 412 | 6 | 4 | 5 | 3.7 | CC(C)(Cc1ccc(C(C)(C)C)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
| 9896817 | 202940 | 0 | None | 3 | 2 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 628 | 12 | 6 | 6 | 6.7 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(CC4NCCc5cc(O)c(O)cc54)cc3)c2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| CHEMBL305891 | 202940 | 0 | None | 3 | 2 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 628 | 12 | 6 | 6 | 6.7 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(CC4NCCc5cc(O)c(O)cc54)cc3)c2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| 9962058 | 469664 | 0 | None | 1 | 2 | Human | 4.0 | pIC50 | = | 4 | Functional | ChEMBL | 628 | 12 | 6 | 6 | 6.7 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3cccc(CC4NCCc5cc(O)c(O)cc54)c3)cc2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| CHEMBL74860 | 469664 | 0 | None | 1 | 2 | Human | 4.0 | pIC50 | = | 4 | Functional | ChEMBL | 628 | 12 | 6 | 6 | 6.7 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3cccc(CC4NCCc5cc(O)c(O)cc54)c3)cc2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| 53318280 | 121442 | 0 | None | -1 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 623 | 11 | 3 | 6 | 7.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2ccccc2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.12.087 | ||
| CHEMBL1684578 | 121442 | 0 | None | -1 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 623 | 11 | 3 | 6 | 7.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2ccccc2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.12.087 | ||
| 11722516 | 181707 | 0 | None | None | None | Guinea pig | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 303 | 9 | 2 | 4 | 2.2 | COCCc1ccc(OC(F)(F)[C@@H](O)CNC(C)C)cc1 | 10.1016/S0960-894X(97)00207-2 | ||
| CHEMBL23929 | 181707 | 0 | None | None | None | Guinea pig | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 303 | 9 | 2 | 4 | 2.2 | COCCc1ccc(OC(F)(F)[C@@H](O)CNC(C)C)cc1 | 10.1016/S0960-894X(97)00207-2 | ||
| 44268214 | 42430 | 0 | None | 4 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 331 | 10 | 3 | 5 | 2.4 | COc1ccc(CCCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL12762 | 42430 | 0 | None | 4 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 331 | 10 | 3 | 5 | 2.4 | COc1ccc(CCCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| 53319639 | 121445 | 0 | None | 1 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 649 | 9 | 3 | 6 | 7.7 | O=S(=O)(Nc1ccc(CC2CC[C@H]([C@@H](O)c3ccccc3)N2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.12.087 | ||
| CHEMBL1684582 | 121445 | 0 | None | 1 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 649 | 9 | 3 | 6 | 7.7 | O=S(=O)(Nc1ccc(CC2CC[C@H]([C@@H](O)c3ccccc3)N2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.12.087 | ||
| 145990586 | 331653 | 0 | None | -1 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 297 | 2 | 2 | 4 | 2.6 | COc1cc2c3c(c1OC)-c1ccccc1[C@@H](O)[C@@H]3NCC2 | 10.1039/C7MD00656J | ||
| CHEMBL4285281 | 331653 | 0 | None | -1 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 297 | 2 | 2 | 4 | 2.6 | COc1cc2c3c(c1OC)-c1ccccc1[C@@H](O)[C@@H]3NCC2 | 10.1039/C7MD00656J | ||
| 53326196 | 121443 | 0 | None | 1 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 649 | 9 | 3 | 6 | 7.7 | O=S(=O)(Nc1ccc(CC2CC[C@@H]([C@@H](O)c3ccccc3)N2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.12.087 | ||
| CHEMBL1684580 | 121443 | 0 | None | 1 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 649 | 9 | 3 | 6 | 7.7 | O=S(=O)(Nc1ccc(CC2CC[C@@H]([C@@H](O)c3ccccc3)N2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.12.087 | ||
| 567 | 1496 | 16 | None | -87 | 5 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm00094a025 | ||
| 9841972 | 1496 | 16 | None | -87 | 5 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm00094a025 | ||
| CHEMBL284782 | 1496 | 16 | None | -87 | 5 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm00094a025 | ||
| 1786 | 5120 | 49 | None | -1 | 3 | Guinea pig | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1016/S0960-894X(97)00207-2 | ||
| 4171 | 5120 | 49 | None | -1 | 3 | Guinea pig | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1016/S0960-894X(97)00207-2 | ||
| 553 | 5120 | 49 | None | -1 | 3 | Guinea pig | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1016/S0960-894X(97)00207-2 | ||
| CHEMBL13 | 5120 | 49 | None | -1 | 3 | Guinea pig | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1016/S0960-894X(97)00207-2 | ||
| DB00264 | 5120 | 49 | None | -1 | 3 | Guinea pig | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1016/S0960-894X(97)00207-2 | ||
| 127034967 | 273926 | 0 | None | -1 | 3 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 260 | 5 | 2 | 4 | 1.6 | CB1C=Cc2c(cccc2OCC(O)CN(C)C)N1 | 10.1021/acs.jmedchem.5b01088 | ||
| CHEMBL3736156 | 273926 | 0 | None | -1 | 3 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 260 | 5 | 2 | 4 | 1.6 | CB1C=Cc2c(cccc2OCC(O)CN(C)C)N1 | 10.1021/acs.jmedchem.5b01088 | ||
| 53326839 | 121444 | 0 | None | 1 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 649 | 9 | 3 | 6 | 7.7 | O=S(=O)(Nc1ccc(CC2CC[C@@H]([C@H](O)c3ccccc3)N2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.12.087 | ||
| CHEMBL1684581 | 121444 | 0 | None | 1 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 649 | 9 | 3 | 6 | 7.7 | O=S(=O)(Nc1ccc(CC2CC[C@@H]([C@H](O)c3ccccc3)N2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.12.087 | ||
| 11722516 | 181707 | 0 | None | None | None | Guinea pig | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 303 | 9 | 2 | 4 | 2.2 | COCCc1ccc(OC(F)(F)[C@@H](O)CNC(C)C)cc1 | 10.1016/S0960-894X(97)00207-2 | ||
| CHEMBL23929 | 181707 | 0 | None | None | None | Guinea pig | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 303 | 9 | 2 | 4 | 2.2 | COCCc1ccc(OC(F)(F)[C@@H](O)CNC(C)C)cc1 | 10.1016/S0960-894X(97)00207-2 | ||
| 51346867 | 121446 | 0 | None | 1 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 649 | 9 | 3 | 6 | 7.7 | O=S(=O)(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.12.087 | ||
| CHEMBL1684583 | 121446 | 0 | None | 1 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 649 | 9 | 3 | 6 | 7.7 | O=S(=O)(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.12.087 | ||
| 53326197 | 121447 | 0 | None | 1 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 649 | 9 | 3 | 6 | 7.7 | O=S(=O)(Nc1ccc(C[C@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.12.087 | ||
| CHEMBL1684584 | 121447 | 0 | None | 1 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 649 | 9 | 3 | 6 | 7.7 | O=S(=O)(Nc1ccc(C[C@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.12.087 | ||
| 2303 | 6476 | 48 | None | -8 | 12 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.5b01088 | ||
| 4946 | 6476 | 48 | None | -8 | 12 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.5b01088 | ||
| 564 | 6476 | 48 | None | -8 | 12 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.5b01088 | ||
| 63 | 6476 | 48 | None | -8 | 12 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.5b01088 | ||
| 91536 | 6476 | 48 | None | -8 | 12 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.5b01088 | ||
| CHEMBL27 | 6476 | 48 | None | -8 | 12 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.5b01088 | ||
| CHEMBL452861 | 6476 | 48 | None | -8 | 12 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.5b01088 | ||
| DB00571 | 6476 | 48 | None | -8 | 12 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.5b01088 | ||
| 9873245 | 18862 | 0 | None | -6 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 590 | 17 | 5 | 7 | 4.3 | CCCCCCCCNC(=O)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3ccc(O)cc3)CC2)cc1 | 10.1016/s0960-894x(02)00607-8 | ||
| CHEMBL102194 | 18862 | 0 | None | -6 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 590 | 17 | 5 | 7 | 4.3 | CCCCCCCCNC(=O)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3ccc(O)cc3)CC2)cc1 | 10.1016/s0960-894x(02)00607-8 | ||
| 14739907 | 329085 | 0 | None | 1 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 367 | 10 | 2 | 6 | 2.6 | Cc1cccc(OCC(O)CNCCOc2ccc(-n3ccnc3)cc2)c1 | 10.1021/jm00172a033 | ||
| CHEMBL421005 | 329085 | 0 | None | 1 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 367 | 10 | 2 | 6 | 2.6 | Cc1cccc(OCC(O)CNCCOc2ccc(-n3ccnc3)cc2)c1 | 10.1021/jm00172a033 | ||
| 14739906 | 474565 | 0 | None | 16 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 411 | 13 | 2 | 7 | 2.5 | COCCc1ccc(OCC(O)CNCCOc2ccc(-n3ccnc3)cc2)cc1 | 10.1021/jm00172a033 | ||
| CHEMBL95457 | 474565 | 0 | None | 16 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 411 | 13 | 2 | 7 | 2.5 | COCCc1ccc(OCC(O)CNCCOc2ccc(-n3ccnc3)cc2)cc1 | 10.1021/jm00172a033 | ||
| 53326195 | 121441 | 0 | None | -1 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 649 | 9 | 3 | 6 | 7.7 | O=S(=O)(Nc1ccc(CC2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.12.087 | ||
| CHEMBL1684577 | 121441 | 0 | None | -1 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 649 | 9 | 3 | 6 | 7.7 | O=S(=O)(Nc1ccc(CC2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.12.087 | ||
| 9853471 | 469731 | 0 | None | 1 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 628 | 12 | 6 | 6 | 6.7 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(CC4NCCc5cc(O)c(O)cc54)cc3)cc2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| CHEMBL75604 | 469731 | 0 | None | 1 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 628 | 12 | 6 | 6 | 6.7 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(CC4NCCc5cc(O)c(O)cc54)cc3)cc2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| 3462 | 1951 | 13 | None | -3 | 2 | Rat | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 421 | 8 | 4 | 6 | 2.2 | C[C@H](Cc1ccc2c(c1)OC(O2)(C(=O)O)C(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm00094a025 | ||
| 5486546 | 1951 | 13 | None | -3 | 2 | Rat | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 421 | 8 | 4 | 6 | 2.2 | C[C@H](Cc1ccc2c(c1)OC(O2)(C(=O)O)C(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm00094a025 | ||
| CHEMBL1204876 | 1951 | 13 | None | -3 | 2 | Rat | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 421 | 8 | 4 | 6 | 2.2 | C[C@H](Cc1ccc2c(c1)OC(O2)(C(=O)O)C(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm00094a025 | ||
| 1786 | 5120 | 49 | None | -1 | 3 | Guinea pig | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1016/S0960-894X(97)00207-2 | ||
| 4171 | 5120 | 49 | None | -1 | 3 | Guinea pig | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1016/S0960-894X(97)00207-2 | ||
| 553 | 5120 | 49 | None | -1 | 3 | Guinea pig | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1016/S0960-894X(97)00207-2 | ||
| CHEMBL13 | 5120 | 49 | None | -1 | 3 | Guinea pig | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1016/S0960-894X(97)00207-2 | ||
| DB00264 | 5120 | 49 | None | -1 | 3 | Guinea pig | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1016/S0960-894X(97)00207-2 | ||
| 3687256 | 21163 | 5 | None | 3 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 500 | 8 | 1 | 5 | 5.0 | Cc1ccc(C(C)C)c(OCC(O)CN2CCC(CN3C(=O)c4cccc5cccc(c45)C3=O)CC2)c1 | 10.1016/j.bmcl.2010.04.009 | ||
| CHEMBL1083994 | 21163 | 5 | None | 3 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 500 | 8 | 1 | 5 | 5.0 | Cc1ccc(C(C)C)c(OCC(O)CN2CCC(CN3C(=O)c4cccc5cccc(c45)C3=O)CC2)c1 | 10.1016/j.bmcl.2010.04.009 | ||
| 14739905 | 475113 | 0 | None | 7 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 353 | 10 | 2 | 6 | 2.3 | OC(CNCCOc1ccc(-n2ccnc2)cc1)COc1ccccc1 | 10.1021/jm00172a033 | ||
| CHEMBL98975 | 475113 | 0 | None | 7 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 353 | 10 | 2 | 6 | 2.3 | OC(CNCCOc1ccc(-n2ccnc2)cc1)COc1ccccc1 | 10.1021/jm00172a033 | ||
| 1499 | 4274 | 42 | None | -269 | 5 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00094a025 | ||
| 3779 | 4274 | 42 | None | -269 | 5 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00094a025 | ||
| 536 | 4274 | 42 | None | -269 | 5 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00094a025 | ||
| CHEMBL434 | 4274 | 42 | None | -269 | 5 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00094a025 | ||
| DB01064 | 4274 | 42 | None | -269 | 5 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00094a025 | ||
| 14823035 | 270609 | 1 | None | -5 | 2 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 377 | 9 | 2 | 5 | 3.1 | COC(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1 | 10.1021/jm00094a025 | ||
| CHEMBL38486 | 270609 | 1 | None | -5 | 2 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 377 | 9 | 2 | 5 | 3.1 | COC(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1 | 10.1021/jm00094a025 | ||
| 14739908 | 216882 | 0 | None | 1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 416 | 10 | 3 | 7 | 1.9 | CS(=O)(=O)Nc1ccc(C(O)CNCCOc2ccc(-n3ccnc3)cc2)cc1 | 10.1021/jm00172a033 | ||
| CHEMBL316868 | 216882 | 0 | None | 1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 416 | 10 | 3 | 7 | 1.9 | CS(=O)(=O)Nc1ccc(C(O)CNCCOc2ccc(-n3ccnc3)cc2)cc1 | 10.1021/jm00172a033 | ||
| 44313150 | 213500 | 0 | None | 1 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 628 | 12 | 6 | 6 | 6.7 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3cccc(CC4NCCc5cc(O)c(O)cc54)c3)c2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| CHEMBL308868 | 213500 | 0 | None | 1 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 628 | 12 | 6 | 6 | 6.7 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3cccc(CC4NCCc5cc(O)c(O)cc54)c3)c2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| 2723 | 123170 | 6 | None | 1 | 3 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 345 | 5 | 3 | 6 | 2.6 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | 10.1016/s0960-894x(00)00459-5 | ||
| 65772 | 123170 | 6 | None | 1 | 3 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 345 | 5 | 3 | 6 | 2.6 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | 10.1016/s0960-894x(00)00459-5 | ||
| CHEMBL174984 | 123170 | 6 | None | 1 | 3 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 345 | 5 | 3 | 6 | 2.6 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | 10.1016/s0960-894x(00)00459-5 | ||
| DB13692 | 123170 | 6 | None | 1 | 3 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 345 | 5 | 3 | 6 | 2.6 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | 10.1016/s0960-894x(00)00459-5 | ||
| 10283539 | 332625 | 0 | None | -22 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 697 | 14 | 6 | 9 | 2.8 | CS(=O)(=O)Nc1cc(OC[C@@H](O)CNCC2CCN(S(=O)(=O)c3ccc(NC(=O)NCc4cc(F)ccc4F)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00607-8 | ||
| CHEMBL431048 | 332625 | 0 | None | -22 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 697 | 14 | 6 | 9 | 2.8 | CS(=O)(=O)Nc1cc(OC[C@@H](O)CNCC2CCN(S(=O)(=O)c3ccc(NC(=O)NCc4cc(F)ccc4F)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00607-8 | ||
| 127034966 | 273962 | 0 | None | -1 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 260 | 5 | 2 | 4 | 1.6 | CB1C=Cc2cccc(OCC(O)CN(C)C)c2N1 | 10.1021/acs.jmedchem.5b01088 | ||
| CHEMBL3736433 | 273962 | 0 | None | -1 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 260 | 5 | 2 | 4 | 1.6 | CB1C=Cc2cccc(OCC(O)CN(C)C)c2N1 | 10.1021/acs.jmedchem.5b01088 | ||
| 187238 | 159697 | 5 | None | None | None | Rat | 10.2 | pKd | = | 10.2 | Functional | ChEMBL | 413 | 5 | 3 | 4 | 2.8 | CC(C)(C)NCC(O)COc1cccc2[nH]c(C#N)c(I)c12 | 10.1021/jm050624l | ||
| CHEMBL210309 | 159697 | 5 | None | None | None | Rat | 10.2 | pKd | = | 10.2 | Functional | ChEMBL | 413 | 5 | 3 | 4 | 2.8 | CC(C)(C)NCC(O)COc1cccc2[nH]c(C#N)c(I)c12 | 10.1021/jm050624l | ||
| 187238 | 159697 | 5 | None | None | None | Rat | 10.2 | pKd | = | 10.2 | Functional | ChEMBL | 413 | 5 | 3 | 4 | 2.8 | CC(C)(C)NCC(O)COc1cccc2[nH]c(C#N)c(I)c12 | 10.1021/jm050624l | ||
| CHEMBL210309 | 159697 | 5 | None | None | None | Rat | 10.2 | pKd | = | 10.2 | Functional | ChEMBL | 413 | 5 | 3 | 4 | 2.8 | CC(C)(C)NCC(O)COc1cccc2[nH]c(C#N)c(I)c12 | 10.1021/jm050624l | ||
| 187238 | 159697 | 5 | None | None | None | Rat | 10.2 | pKd | = | 10.2 | Functional | ChEMBL | 413 | 5 | 3 | 4 | 2.8 | CC(C)(C)NCC(O)COc1cccc2[nH]c(C#N)c(I)c12 | 10.1021/jm050624l | ||
| CHEMBL210309 | 159697 | 5 | None | None | None | Rat | 10.2 | pKd | = | 10.2 | Functional | ChEMBL | 413 | 5 | 3 | 4 | 2.8 | CC(C)(C)NCC(O)COc1cccc2[nH]c(C#N)c(I)c12 | 10.1021/jm050624l | ||
| 187238 | 159697 | 5 | None | None | None | Rat | 10.1 | pKd | = | 10.1 | Functional | ChEMBL | 413 | 5 | 3 | 4 | 2.8 | CC(C)(C)NCC(O)COc1cccc2[nH]c(C#N)c(I)c12 | 10.1021/jm050624l | ||
| CHEMBL210309 | 159697 | 5 | None | None | None | Rat | 10.1 | pKd | = | 10.1 | Functional | ChEMBL | 413 | 5 | 3 | 4 | 2.8 | CC(C)(C)NCC(O)COc1cccc2[nH]c(C#N)c(I)c12 | 10.1021/jm050624l | ||
| 13040915 | 202982 | 0 | None | None | None | Guinea pig | 10.0 | pKd | = | 10 | Functional | ChEMBL | 325 | 10 | 2 | 7 | 0.8 | CCOC(=O)CCNCC(O)COc1ccccc1C(=O)OC | 10.1021/jm00354a003 | ||
| CHEMBL30622 | 202982 | 0 | None | None | None | Guinea pig | 10.0 | pKd | = | 10 | Functional | ChEMBL | 325 | 10 | 2 | 7 | 0.8 | CCOC(=O)CCNCC(O)COc1ccccc1C(=O)OC | 10.1021/jm00354a003 | ||
| 3047497 | 27654 | 4 | None | None | None | Rat | 9.6 | pKd | = | 9.6 | Functional | ChEMBL | 321 | 11 | 2 | 4 | 2.8 | CC(C)NCC(O)COc1ccc(CCOCC2CCC2)cc1 | 10.1021/jm00389a008 | ||
| CHEMBL1192675 | 27654 | 4 | None | None | None | Rat | 9.6 | pKd | = | 9.6 | Functional | ChEMBL | 321 | 11 | 2 | 4 | 2.8 | CC(C)NCC(O)COc1ccc(CCOCC2CCC2)cc1 | 10.1021/jm00389a008 | ||
| 3047497 | 27654 | 4 | None | None | None | Rat | 9.6 | pKd | = | 9.6 | Functional | ChEMBL | 321 | 11 | 2 | 4 | 2.8 | CC(C)NCC(O)COc1ccc(CCOCC2CCC2)cc1 | 10.1021/jm00389a008 | ||
| CHEMBL1192675 | 27654 | 4 | None | None | None | Rat | 9.6 | pKd | = | 9.6 | Functional | ChEMBL | 321 | 11 | 2 | 4 | 2.8 | CC(C)NCC(O)COc1ccc(CCOCC2CCC2)cc1 | 10.1021/jm00389a008 | ||
| 187238 | 159697 | 5 | None | None | None | Rat | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 413 | 5 | 3 | 4 | 2.8 | CC(C)(C)NCC(O)COc1cccc2[nH]c(C#N)c(I)c12 | 10.1021/jm050624l | ||
| CHEMBL210309 | 159697 | 5 | None | None | None | Rat | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 413 | 5 | 3 | 4 | 2.8 | CC(C)(C)NCC(O)COc1cccc2[nH]c(C#N)c(I)c12 | 10.1021/jm050624l | ||
| 2685 | 1837 | 22 | None | None | None | Human | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/jm400348g | ||
| 541 | 1837 | 22 | None | None | None | Human | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/jm400348g | ||
| CHEMBL280822 | 1837 | 22 | None | None | None | Human | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/jm400348g | ||
| 123686 | 4050 | 42 | None | None | None | Human | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 354 | 9 | 4 | 5 | 1.7 | C1=CC=C(C=C1)NC(=O)NCCNCC(COC2=CC=CC=C2C#N)O | 10.1021/jm400348g | ||
| 12581 | 4050 | 42 | None | None | None | Human | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 354 | 9 | 4 | 5 | 1.7 | C1=CC=C(C=C1)NC(=O)NCCNCC(COC2=CC=CC=C2C#N)O | 10.1021/jm400348g | ||
| CHEMBL11268 | 4050 | 42 | None | None | None | Human | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 354 | 9 | 4 | 5 | 1.7 | C1=CC=C(C=C1)NC(=O)NCCNCC(COC2=CC=CC=C2C#N)O | 10.1021/jm400348g | ||
| 33624 | 8322 | 24 | None | None | None | Guinea pig | 9.4 | pKd | = | 9.4 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm00350a009 | ||
| 4061 | 8322 | 24 | None | None | None | Guinea pig | 9.4 | pKd | = | 9.4 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm00350a009 | ||
| 565 | 8322 | 24 | None | None | None | Guinea pig | 9.4 | pKd | = | 9.4 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm00350a009 | ||
| CHEMBL499 | 8322 | 24 | None | None | None | Guinea pig | 9.4 | pKd | = | 9.4 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm00350a009 | ||
| DB00373 | 8322 | 24 | None | None | None | Guinea pig | 9.4 | pKd | = | 9.4 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm00350a009 | ||
| 13187527 | 197411 | 0 | None | None | None | Rat | 9.3 | pKd | = | 9.3 | Functional | ChEMBL | 321 | 10 | 2 | 4 | 2.9 | CC(C)NCC(O)COc1ccc(CCOC2CCCC2)cc1 | 10.1021/jm00389a008 | ||
| CHEMBL267375 | 197411 | 0 | None | None | None | Rat | 9.3 | pKd | = | 9.3 | Functional | ChEMBL | 321 | 10 | 2 | 4 | 2.9 | CC(C)NCC(O)COc1ccc(CCOC2CCCC2)cc1 | 10.1021/jm00389a008 | ||
| 56598832 | 179130 | 0 | None | None | None | Human | 9.0 | pKd | = | 9 | Functional | ChEMBL | 527 | 16 | 5 | 7 | 3.3 | O=C(NCCNCC(O)COc1ccc(OCCOCCc2ccc(F)cc2)cc1)Nc1ccc(O)cc1 | 10.1021/jm400348g | ||
| CHEMBL2348218 | 179130 | 0 | None | None | None | Human | 9.0 | pKd | = | 9 | Functional | ChEMBL | 527 | 16 | 5 | 7 | 3.3 | O=C(NCCNCC(O)COc1ccc(OCCOCCc2ccc(F)cc2)cc1)Nc1ccc(O)cc1 | 10.1021/jm400348g | ||
| 2685 | 1837 | 22 | None | None | None | Human | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1016/j.ejmech.2022.114961 | ||
| 541 | 1837 | 22 | None | None | None | Human | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1016/j.ejmech.2022.114961 | ||
| CHEMBL280822 | 1837 | 22 | None | None | None | Human | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1016/j.ejmech.2022.114961 | ||
| 66653268 | 179113 | 0 | None | None | None | Human | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 491 | 14 | 4 | 6 | 3.8 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1cccc(Cl)c1 | 10.1021/jm400348g | ||
| CHEMBL2348201 | 179113 | 0 | None | None | None | Human | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 491 | 14 | 4 | 6 | 3.8 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1cccc(Cl)c1 | 10.1021/jm400348g | ||
| 5311116 | 4758 | 10 | None | None | None | Human | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10.1021/jm400348g | ||
| 544 | 4758 | 10 | None | None | None | Human | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10.1021/jm400348g | ||
| CHEMBL207802 | 4758 | 10 | None | None | None | Human | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10.1021/jm400348g | ||
| 2303 | 6476 | 48 | None | None | None | Human | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | ||
| 4946 | 6476 | 48 | None | None | None | Human | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | ||
| 564 | 6476 | 48 | None | None | None | Human | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | ||
| 63 | 6476 | 48 | None | None | None | Human | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | ||
| 91536 | 6476 | 48 | None | None | None | Human | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | ||
| CHEMBL27 | 6476 | 48 | None | None | None | Human | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | ||
| CHEMBL452861 | 6476 | 48 | None | None | None | Human | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | ||
| DB00571 | 6476 | 48 | None | None | None | Human | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | ||
| 12733305 | 123154 | 0 | None | None | None | Guinea pig | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 357 | 8 | 2 | 6 | 2.5 | COc1ccc(CCNCC(O)C2=COc3ccccc3O2)cc1OC | 10.1021/jm00140a015 | ||
| CHEMBL174853 | 123154 | 0 | None | None | None | Guinea pig | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 357 | 8 | 2 | 6 | 2.5 | COc1ccc(CCNCC(O)C2=COc3ccccc3O2)cc1OC | 10.1021/jm00140a015 | ||
| 13187527 | 197411 | 0 | None | None | None | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 321 | 10 | 2 | 4 | 2.9 | CC(C)NCC(O)COc1ccc(CCOC2CCCC2)cc1 | 10.1021/jm00389a008 | ||
| CHEMBL267375 | 197411 | 0 | None | None | None | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 321 | 10 | 2 | 4 | 2.9 | CC(C)NCC(O)COc1ccc(CCOC2CCCC2)cc1 | 10.1021/jm00389a008 | ||
| 44288749 | 329218 | 0 | None | None | None | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 330 | 8 | 2 | 4 | 4.0 | CC(C)(C)c1ccc(NCC(O)CON=C(C2CC2)C2CC2)cc1 | 10.1021/jm970338c | ||
| CHEMBL42117 | 329218 | 0 | None | None | None | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 330 | 8 | 2 | 4 | 4.0 | CC(C)(C)c1ccc(NCC(O)CON=C(C2CC2)C2CC2)cc1 | 10.1021/jm970338c | ||
| 44288749 | 329218 | 0 | None | None | None | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 330 | 8 | 2 | 4 | 4.0 | CC(C)(C)c1ccc(NCC(O)CON=C(C2CC2)C2CC2)cc1 | 10.1021/jm970338c | ||
| CHEMBL42117 | 329218 | 0 | None | None | None | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 330 | 8 | 2 | 4 | 4.0 | CC(C)(C)c1ccc(NCC(O)CON=C(C2CC2)C2CC2)cc1 | 10.1021/jm970338c | ||
| 11722868 | 214097 | 0 | None | None | None | Guinea pig | 7.0 | pKd | = | 7 | Functional | ChEMBL | 309 | 8 | 2 | 5 | 1.9 | COC(=O)CCc1ccc(OCC(O)CNC(C)(C)C)cc1 | 10.1021/jm00354a003 | ||
| CHEMBL31025 | 214097 | 0 | None | None | None | Guinea pig | 7.0 | pKd | = | 7 | Functional | ChEMBL | 309 | 8 | 2 | 5 | 1.9 | COC(=O)CCc1ccc(OCC(O)CNC(C)(C)C)cc1 | 10.1021/jm00354a003 | ||
| 13040919 | 215751 | 0 | None | None | None | Guinea pig | 5.0 | pKd | = | 5 | Functional | ChEMBL | 339 | 9 | 2 | 7 | 1.1 | CCOC(=O)C(C)(C)NCC(O)COc1ccccc1C(=O)OC | 10.1021/jm00354a003 | ||
| CHEMBL31335 | 215751 | 0 | None | None | None | Guinea pig | 5.0 | pKd | = | 5 | Functional | ChEMBL | 339 | 9 | 2 | 7 | 1.1 | CCOC(=O)C(C)(C)NCC(O)COc1ccccc1C(=O)OC | 10.1021/jm00354a003 | ||
| 172461665 | 388926 | 0 | None | None | None | Human | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 366 | 7 | 2 | 6 | 2.4 | O[C@@H](CNCC1COc2ccccc2O1)COc1cccc2cnccc12 | 10.1016/j.ejmech.2022.114961 | ||
| CHEMBL5427527 | 388926 | 0 | None | None | None | Human | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 366 | 7 | 2 | 6 | 2.4 | O[C@@H](CNCC1COc2ccccc2O1)COc1cccc2cnccc12 | 10.1016/j.ejmech.2022.114961 | ||
| 44371562 | 102959 | 0 | None | None | None | Guinea pig | 5.0 | pKd | = | 5.0 | Functional | ChEMBL | 257 | 7 | 2 | 5 | 1.2 | CC(C)NCC(O)COC(=O)Cc1cccs1 | 10.1021/jm00387a006 | ||
| CHEMBL156683 | 102959 | 0 | None | None | None | Guinea pig | 5.0 | pKd | = | 5.0 | Functional | ChEMBL | 257 | 7 | 2 | 5 | 1.2 | CC(C)NCC(O)COC(=O)Cc1cccs1 | 10.1021/jm00387a006 | ||
| 20554487 | 27556 | 0 | None | None | None | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 369 | 11 | 2 | 5 | 2.2 | CC(C)NCC(O)COc1ccc(CCS(=O)(=O)CC2CCC2)cc1 | 10.1021/jm00389a008 | ||
| CHEMBL1191855 | 27556 | 0 | None | None | None | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 369 | 11 | 2 | 5 | 2.2 | CC(C)NCC(O)COc1ccc(CCS(=O)(=O)CC2CCC2)cc1 | 10.1021/jm00389a008 | ||
| 54757126 | 137793 | 0 | None | None | None | Human | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 893 | 26 | 4 | 10 | 6.8 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCOCCOCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| CHEMBL1830492 | 137793 | 0 | None | None | None | Human | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 893 | 26 | 4 | 10 | 6.8 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCOCCOCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| 14856222 | 337161 | 0 | None | None | None | Guinea pig | 4.9 | pKd | = | 4.9 | Functional | ChEMBL | 217 | 5 | 2 | 4 | 0.9 | CC(C)C(=O)OCC(O)CNC(C)(C)C | 10.1021/jm00387a006 | ||
| CHEMBL449651 | 337161 | 0 | None | None | None | Guinea pig | 4.9 | pKd | = | 4.9 | Functional | ChEMBL | 217 | 5 | 2 | 4 | 0.9 | CC(C)C(=O)OCC(O)CNC(C)(C)C | 10.1021/jm00387a006 | ||
| 12733304 | 256177 | 0 | None | None | None | Guinea pig | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 275 | 3 | 1 | 4 | 2.5 | OC(CN1CCCCCC1)C1=COc2ccccc2O1 | 10.1021/jm00140a015 | ||
| CHEMBL366558 | 256177 | 0 | None | None | None | Guinea pig | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 275 | 3 | 1 | 4 | 2.5 | OC(CN1CCCCCC1)C1=COc2ccccc2O1 | 10.1021/jm00140a015 | ||
| 44288217 | 311145 | 0 | None | None | None | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 288 | 8 | 2 | 4 | 3.0 | Cc1ccc(NCC(O)CON=C(C2CC2)C2CC2)cc1 | 10.1021/jm970338c | ||
| CHEMBL40217 | 311145 | 0 | None | None | None | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 288 | 8 | 2 | 4 | 3.0 | Cc1ccc(NCC(O)CON=C(C2CC2)C2CC2)cc1 | 10.1021/jm970338c | ||
| 2303 | 6476 | 48 | None | None | None | Guinea pig | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00389a008 | ||
| 4946 | 6476 | 48 | None | None | None | Guinea pig | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00389a008 | ||
| 564 | 6476 | 48 | None | None | None | Guinea pig | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00389a008 | ||
| 63 | 6476 | 48 | None | None | None | Guinea pig | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00389a008 | ||
| 91536 | 6476 | 48 | None | None | None | Guinea pig | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00389a008 | ||
| CHEMBL27 | 6476 | 48 | None | None | None | Guinea pig | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00389a008 | ||
| CHEMBL452861 | 6476 | 48 | None | None | None | Guinea pig | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00389a008 | ||
| DB00571 | 6476 | 48 | None | None | None | Guinea pig | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00389a008 | ||
| 44371486 | 38160 | 0 | None | None | None | Guinea pig | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 230 | 7 | 2 | 4 | 1.9 | CCC/C(C)=N\OCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
| CHEMBL1199437 | 38160 | 0 | None | None | None | Guinea pig | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 230 | 7 | 2 | 4 | 1.9 | CCC/C(C)=N\OCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
| 54757229 | 137815 | 0 | None | None | None | Human | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 795 | 22 | 4 | 8 | 6.3 | C=CCc1ccccc1OCC(O)CNCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | ||
| CHEMBL1830617 | 137815 | 0 | None | None | None | Human | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 795 | 22 | 4 | 8 | 6.3 | C=CCc1ccccc1OCC(O)CNCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | ||
| 3682 | 365954 | 13 | None | None | None | Human | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | 10.1016/j.ejmech.2022.114961 | ||
| CHEMBL513389 | 365954 | 13 | None | None | None | Human | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | 10.1016/j.ejmech.2022.114961 | ||
| 44371537 | 103905 | 0 | None | None | None | Guinea pig | 4.9 | pKd | = | 4.9 | Functional | ChEMBL | 243 | 6 | 2 | 4 | 1.5 | CC(C)NCC(O)COC(=O)C1CCCCC1 | 10.1021/jm00387a006 | ||
| CHEMBL157557 | 103905 | 0 | None | None | None | Guinea pig | 4.9 | pKd | = | 4.9 | Functional | ChEMBL | 243 | 6 | 2 | 4 | 1.5 | CC(C)NCC(O)COC(=O)C1CCCCC1 | 10.1021/jm00387a006 | ||
| 12348305 | 197320 | 0 | None | None | None | Guinea pig | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 281 | 6 | 2 | 6 | 0.9 | CC(C)NCC(O)COC(=O)c1ccc2c(c1)OCO2 | 10.1021/jm00387a006 | ||
| CHEMBL266548 | 197320 | 0 | None | None | None | Guinea pig | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 281 | 6 | 2 | 6 | 0.9 | CC(C)NCC(O)COC(=O)c1ccc2c(c1)OCO2 | 10.1021/jm00387a006 | ||
| 2369 | 1284 | 48 | None | None | None | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00389a008 | ||
| 356 | 1284 | 48 | None | None | None | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00389a008 | ||
| 549 | 1284 | 48 | None | None | None | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00389a008 | ||
| CHEMBL423 | 1284 | 48 | None | None | None | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00389a008 | ||
| DB00195 | 1284 | 48 | None | None | None | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00389a008 | ||
| 12606708 | 27340 | 0 | None | None | None | Guinea pig | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 282 | 6 | 2 | 4 | 2.6 | CC(C)NCC(O)CO/N=C1\CC2CCC1(C)C2(C)C | 10.1021/jm00180a007 | ||
| CHEMBL1190195 | 27340 | 0 | None | None | None | Guinea pig | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 282 | 6 | 2 | 4 | 2.6 | CC(C)NCC(O)CO/N=C1\CC2CCC1(C)C2(C)C | 10.1021/jm00180a007 | ||
| 44287476 | 26284 | 0 | None | None | None | Guinea pig | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 230 | 7 | 2 | 4 | 1.9 | CCC(CC)=NOCC(O)CNC(C)(C)C | 10.1021/jm00380a001 | ||
| CHEMBL1183311 | 26284 | 0 | None | None | None | Guinea pig | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 230 | 7 | 2 | 4 | 1.9 | CCC(CC)=NOCC(O)CNC(C)(C)C | 10.1021/jm00380a001 | ||
| 3047527 | 468622 | 0 | None | None | None | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 335 | 11 | 2 | 4 | 3.2 | CC(C)NCC(O)COc1ccc(CCOCC2CCCC2)cc1 | 10.1021/jm00389a008 | ||
| CHEMBL6712 | 468622 | 0 | None | None | None | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 335 | 11 | 2 | 4 | 3.2 | CC(C)NCC(O)COc1ccc(CCOCC2CCCC2)cc1 | 10.1021/jm00389a008 | ||
| 2447486 | 125781 | 0 | None | None | None | Guinea pig | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 324 | 5 | 2 | 4 | 3.2 | CC(C)(C)NC[C@@H](O)CON=C1c2ccccc2-c2ccccc21 | 10.1021/jm00350a009 | ||
| CHEMBL1788270 | 125781 | 0 | None | None | None | Guinea pig | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 324 | 5 | 2 | 4 | 3.2 | CC(C)(C)NC[C@@H](O)CON=C1c2ccccc2-c2ccccc21 | 10.1021/jm00350a009 | ||
| 54756927 | 137787 | 0 | None | None | None | Human | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 833 | 22 | 4 | 8 | 7.5 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| CHEMBL1830486 | 137787 | 0 | None | None | None | Human | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 833 | 22 | 4 | 8 | 7.5 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| 44288217 | 311145 | 0 | None | None | None | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 288 | 8 | 2 | 4 | 3.0 | Cc1ccc(NCC(O)CON=C(C2CC2)C2CC2)cc1 | 10.1021/jm970338c | ||
| CHEMBL40217 | 311145 | 0 | None | None | None | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 288 | 8 | 2 | 4 | 3.0 | Cc1ccc(NCC(O)CON=C(C2CC2)C2CC2)cc1 | 10.1021/jm970338c | ||
| 172446785 | 387485 | 0 | None | None | None | Human | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 389 | 11 | 2 | 3 | 4.8 | CCc1ccccc1OC[C@@H](O)CNCCC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2022.114961 | ||
| CHEMBL5397120 | 387485 | 0 | None | None | None | Human | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 389 | 11 | 2 | 3 | 4.8 | CCc1ccccc1OC[C@@H](O)CNCCC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2022.114961 | ||
| 12606686 | 183668 | 0 | None | None | None | Guinea pig | 4.9 | pKd | = | 4.9 | Functional | ChEMBL | 189 | 5 | 2 | 3 | 1.2 | CC(C)OCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
| CHEMBL24391 | 183668 | 0 | None | None | None | Guinea pig | 4.9 | pKd | = | 4.9 | Functional | ChEMBL | 189 | 5 | 2 | 3 | 1.2 | CC(C)OCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
| 1786 | 5120 | 49 | None | None | None | Guinea pig | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00350a009 | ||
| 4171 | 5120 | 49 | None | None | None | Guinea pig | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00350a009 | ||
| 553 | 5120 | 49 | None | None | None | Guinea pig | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00350a009 | ||
| CHEMBL13 | 5120 | 49 | None | None | None | Guinea pig | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00350a009 | ||
| DB00264 | 5120 | 49 | None | None | None | Guinea pig | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00350a009 | ||
| 12733308 | 241124 | 0 | None | None | None | Guinea pig | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 393 | 4 | 2 | 7 | 3.1 | Oc1nc2ccccc2n1C1CCN(CC(O)C2=COc3ccccc3O2)CC1 | 10.1021/jm00140a015 | ||
| CHEMBL360139 | 241124 | 0 | None | None | None | Guinea pig | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 393 | 4 | 2 | 7 | 3.1 | Oc1nc2ccccc2n1C1CCN(CC(O)C2=COc3ccccc3O2)CC1 | 10.1021/jm00140a015 | ||
| 3047500 | 27534 | 0 | None | None | None | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 349 | 11 | 2 | 4 | 3.6 | CC(C)NCC(O)COc1ccc(CCOCC2CCCCC2)cc1 | 10.1021/jm00389a008 | ||
| CHEMBL1191645 | 27534 | 0 | None | None | None | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 349 | 11 | 2 | 4 | 3.6 | CC(C)NCC(O)COc1ccc(CCOCC2CCCCC2)cc1 | 10.1021/jm00389a008 | ||
| 3047500 | 27534 | 0 | None | None | None | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 349 | 11 | 2 | 4 | 3.6 | CC(C)NCC(O)COc1ccc(CCOCC2CCCCC2)cc1 | 10.1021/jm00389a008 | ||
| CHEMBL1191645 | 27534 | 0 | None | None | None | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 349 | 11 | 2 | 4 | 3.6 | CC(C)NCC(O)COc1ccc(CCOCC2CCCCC2)cc1 | 10.1021/jm00389a008 | ||
| 44287622 | 26274 | 0 | None | None | None | Guinea pig | 4.8 | pKd | = | 4.8 | Functional | ChEMBL | 258 | 7 | 2 | 4 | 2.4 | CC(C)C(=NOCC(O)CNC(C)(C)C)C(C)C | 10.1021/jm00380a001 | ||
| CHEMBL1183276 | 26274 | 0 | None | None | None | Guinea pig | 4.8 | pKd | = | 4.8 | Functional | ChEMBL | 258 | 7 | 2 | 4 | 2.4 | CC(C)C(=NOCC(O)CNC(C)(C)C)C(C)C | 10.1021/jm00380a001 | ||
| 10403687 | 5103 | 2 | None | None | None | Guinea pig | 4.8 | pKd | = | 4.8 | Functional | ChEMBL | 319 | 8 | 2 | 2 | 3.9 | CNCCc1cnc([nH]1)CCC(c1ccccc1)c1ccccc1 | 10.1021/jm991056a | ||
| 1205 | 5103 | 2 | None | None | None | Guinea pig | 4.8 | pKd | = | 4.8 | Functional | ChEMBL | 319 | 8 | 2 | 2 | 3.9 | CNCCc1cnc([nH]1)CCC(c1ccccc1)c1ccccc1 | 10.1021/jm991056a | ||
| CHEMBL275035 | 5103 | 2 | None | None | None | Guinea pig | 4.8 | pKd | = | 4.8 | Functional | ChEMBL | 319 | 8 | 2 | 2 | 3.9 | CNCCc1cnc([nH]1)CCC(c1ccccc1)c1ccccc1 | 10.1021/jm991056a | ||
| 12733301 | 123177 | 0 | None | None | None | Guinea pig | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 235 | 4 | 2 | 4 | 1.7 | CC(C)NCC(O)C1=COc2ccccc2O1 | 10.1021/jm00140a015 | ||
| CHEMBL175010 | 123177 | 0 | None | None | None | Guinea pig | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 235 | 4 | 2 | 4 | 1.7 | CC(C)NCC(O)C1=COc2ccccc2O1 | 10.1021/jm00140a015 | ||
| 44371406 | 25940 | 0 | None | None | None | Guinea pig | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 278 | 9 | 2 | 4 | 2.4 | C/C(CCc1ccccc1)=N/OCC(O)CNC(C)C | 10.1021/jm00180a007 | ||
| CHEMBL1181107 | 25940 | 0 | None | None | None | Guinea pig | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 278 | 9 | 2 | 4 | 2.4 | C/C(CCc1ccccc1)=N/OCC(O)CNC(C)C | 10.1021/jm00180a007 | ||
| 44264144 | 27535 | 0 | None | None | None | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 385 | 11 | 2 | 6 | 1.6 | CC(C)NCC(O)COc1ccc(CCS(=O)(=O)CC2CCCO2)cc1 | 10.1021/jm00389a008 | ||
| CHEMBL1191646 | 27535 | 0 | None | None | None | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 385 | 11 | 2 | 6 | 1.6 | CC(C)NCC(O)COc1ccc(CCS(=O)(=O)CC2CCCO2)cc1 | 10.1021/jm00389a008 | ||
| 361497 | 102324 | 0 | None | None | None | Guinea pig | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 243 | 6 | 2 | 5 | 1.3 | CC(C)NCC(O)COC(=O)c1cccs1 | 10.1021/jm00387a006 | ||
| CHEMBL156147 | 102324 | 0 | None | None | None | Guinea pig | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 243 | 6 | 2 | 5 | 1.3 | CC(C)NCC(O)COC(=O)c1cccs1 | 10.1021/jm00387a006 | ||
| 172454272 | 388351 | 0 | None | None | None | Human | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 359 | 7 | 2 | 7 | 1.6 | O[C@@H](CNCC1COc2ccccc2O1)COc1ccc2c(c1)OCO2 | 10.1016/j.ejmech.2022.114961 | ||
| CHEMBL5415148 | 388351 | 0 | None | None | None | Human | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 359 | 7 | 2 | 7 | 1.6 | O[C@@H](CNCC1COc2ccccc2O1)COc1ccc2c(c1)OCO2 | 10.1016/j.ejmech.2022.114961 | ||
| 12778441 | 155110 | 0 | None | None | None | Guinea pig | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 338 | 7 | 2 | 4 | 3.6 | CCC(C)(C)NC[C@H](O)CON=C1c2ccccc2-c2ccccc21 | 10.1021/jm00350a009 | ||
| CHEMBL2110257 | 155110 | 0 | None | None | None | Guinea pig | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 338 | 7 | 2 | 4 | 3.6 | CCC(C)(C)NC[C@H](O)CON=C1c2ccccc2-c2ccccc21 | 10.1021/jm00350a009 | ||
| 3486 | 6418 | 47 | None | None | None | Guinea pig | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00387a006 | ||
| 4883 | 6418 | 47 | None | None | None | Guinea pig | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00387a006 | ||
| 555 | 6418 | 47 | None | None | None | Guinea pig | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00387a006 | ||
| CHEMBL6995 | 6418 | 47 | None | None | None | Guinea pig | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00387a006 | ||
| DB01297 | 6418 | 47 | None | None | None | Guinea pig | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00387a006 | ||
| 172468087 | 388961 | 0 | None | None | None | Human | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 459 | 10 | 2 | 5 | 5.0 | CC1(C)CC(=O)c2ccc(OC[C@H](O)CNCCC(c3ccccc3)c3ccccc3)cc2O1 | 10.1016/j.ejmech.2022.114961 | ||
| CHEMBL5428413 | 388961 | 0 | None | None | None | Human | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 459 | 10 | 2 | 5 | 5.0 | CC1(C)CC(=O)c2ccc(OC[C@H](O)CNCCC(c3ccccc3)c3ccccc3)cc2O1 | 10.1016/j.ejmech.2022.114961 | ||
| 3486 | 6418 | 47 | None | None | None | Guinea pig | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00380a001 | ||
| 4883 | 6418 | 47 | None | None | None | Guinea pig | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00380a001 | ||
| 555 | 6418 | 47 | None | None | None | Guinea pig | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00380a001 | ||
| CHEMBL6995 | 6418 | 47 | None | None | None | Guinea pig | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00380a001 | ||
| DB01297 | 6418 | 47 | None | None | None | Guinea pig | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00380a001 | ||
| 12606710 | 27651 | 0 | None | None | None | Guinea pig | 4.8 | pKd | = | 4.8 | Functional | ChEMBL | 204 | 6 | 3 | 4 | 0.7 | CC(C)NOCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
| CHEMBL1192661 | 27651 | 0 | None | None | None | Guinea pig | 4.8 | pKd | = | 4.8 | Functional | ChEMBL | 204 | 6 | 3 | 4 | 0.7 | CC(C)NOCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
| 44287431 | 25508 | 0 | None | None | None | Guinea pig | 4.8 | pKd | = | 4.8 | Functional | ChEMBL | 244 | 8 | 2 | 4 | 2.0 | CC(C)NCC(O)CON=C(C(C)C)C(C)C | 10.1021/jm00380a001 | ||
| CHEMBL1178793 | 25508 | 0 | None | None | None | Guinea pig | 4.8 | pKd | = | 4.8 | Functional | ChEMBL | 244 | 8 | 2 | 4 | 2.0 | CC(C)NCC(O)CON=C(C(C)C)C(C)C | 10.1021/jm00380a001 | ||
| 54757331 | 137817 | 0 | None | None | None | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 883 | 28 | 4 | 10 | 6.3 | C=CCc1ccccc1OCC(O)CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | ||
| CHEMBL1830619 | 137817 | 0 | None | None | None | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 883 | 28 | 4 | 10 | 6.3 | C=CCc1ccccc1OCC(O)CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | ||
| 155774 | 8875 | 30 | None | None | None | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10.1021/jm400348g | ||
| 2848 | 8875 | 30 | None | None | None | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10.1021/jm400348g | ||
| 538 | 8875 | 30 | None | None | None | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10.1021/jm400348g | ||
| CHEMBL75753 | 8875 | 30 | None | None | None | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10.1021/jm400348g | ||
| DB13781 | 8875 | 30 | None | None | None | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10.1021/jm400348g | ||
| 56598831 | 180000 | 0 | None | None | None | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 459 | 15 | 5 | 7 | 2.3 | O=C(NCCNCC(O)COc1ccc(OCCOCC2CC2)cc1)Nc1ccc(O)cc1 | 10.1021/jm400348g | ||
| CHEMBL2365796 | 180000 | 0 | None | None | None | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 459 | 15 | 5 | 7 | 2.3 | O=C(NCCNCC(O)COc1ccc(OCCOCC2CC2)cc1)Nc1ccc(O)cc1 | 10.1021/jm400348g | ||
| 44264411 | 27655 | 0 | None | None | None | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 443 | 15 | 2 | 6 | 3.6 | COc1ccc(CCNCC(O)COc2ccc(CCOCC3CCC3)cc2)cc1OC | 10.1021/jm00389a008 | ||
| CHEMBL1192677 | 27655 | 0 | None | None | None | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 443 | 15 | 2 | 6 | 3.6 | COc1ccc(CCNCC(O)COc2ccc(CCOCC3CCC3)cc2)cc1OC | 10.1021/jm00389a008 | ||
| 3486 | 6418 | 47 | None | None | None | Guinea pig | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00140a015 | ||
| 4883 | 6418 | 47 | None | None | None | Guinea pig | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00140a015 | ||
| 555 | 6418 | 47 | None | None | None | Guinea pig | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00140a015 | ||
| CHEMBL6995 | 6418 | 47 | None | None | None | Guinea pig | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00140a015 | ||
| DB01297 | 6418 | 47 | None | None | None | Guinea pig | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00140a015 | ||
| 172450718 | 388445 | 0 | None | None | None | Human | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 426 | 9 | 3 | 6 | 3.0 | CC(=O)Nc1ccc(CCNC[C@H](O)COc2ccc3c(c2)OC(C)(C)CC3=O)cc1 | 10.1016/j.ejmech.2022.114961 | ||
| CHEMBL5416996 | 388445 | 0 | None | None | None | Human | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 426 | 9 | 3 | 6 | 3.0 | CC(=O)Nc1ccc(CCNC[C@H](O)COc2ccc3c(c2)OC(C)(C)CC3=O)cc1 | 10.1016/j.ejmech.2022.114961 | ||
| 137 | 765 | 35 | None | None | None | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm2008562 | ||
| 2119 | 765 | 35 | None | None | None | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm2008562 | ||
| 563 | 765 | 35 | None | None | None | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm2008562 | ||
| 66368 | 765 | 35 | None | None | None | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm2008562 | ||
| CHEMBL266195 | 765 | 35 | None | None | None | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm2008562 | ||
| DB00866 | 765 | 35 | None | None | None | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm2008562 | ||
| 54756927 | 137787 | 0 | None | None | None | Human | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 833 | 22 | 4 | 8 | 7.5 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| CHEMBL1830486 | 137787 | 0 | None | None | None | Human | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 833 | 22 | 4 | 8 | 7.5 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| 12606701 | 25507 | 0 | None | None | None | Guinea pig | 5.7 | pKd | = | 5.7 | Functional | ChEMBL | 228 | 6 | 2 | 4 | 1.7 | CC(C)NCC(O)CON=C1CCCCC1 | 10.1021/jm00180a007 | ||
| CHEMBL1178787 | 25507 | 0 | None | None | None | Guinea pig | 5.7 | pKd | = | 5.7 | Functional | ChEMBL | 228 | 6 | 2 | 4 | 1.7 | CC(C)NCC(O)CON=C1CCCCC1 | 10.1021/jm00180a007 | ||
| 44371426 | 38220 | 0 | None | None | None | Guinea pig | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 216 | 6 | 2 | 4 | 1.5 | CC/C(C)=N\OCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
| CHEMBL1199902 | 38220 | 0 | None | None | None | Guinea pig | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 216 | 6 | 2 | 4 | 1.5 | CC/C(C)=N\OCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
| 2303 | 6476 | 48 | None | None | None | Human | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | ||
| 4946 | 6476 | 48 | None | None | None | Human | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | ||
| 564 | 6476 | 48 | None | None | None | Human | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | ||
| 63 | 6476 | 48 | None | None | None | Human | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | ||
| 91536 | 6476 | 48 | None | None | None | Human | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | ||
| CHEMBL27 | 6476 | 48 | None | None | None | Human | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | ||
| CHEMBL452861 | 6476 | 48 | None | None | None | Human | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | ||
| DB00571 | 6476 | 48 | None | None | None | Human | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | ||
| 11768868 | 27420 | 1 | None | None | None | Guinea pig | 4.7 | pKd | = | 4.7 | Functional | ChEMBL | 161 | 4 | 2 | 3 | 0.4 | COCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
| CHEMBL1190805 | 27420 | 1 | None | None | None | Guinea pig | 4.7 | pKd | = | 4.7 | Functional | ChEMBL | 161 | 4 | 2 | 3 | 0.4 | COCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
| 12606701 | 25507 | 0 | None | None | None | Guinea pig | 4.7 | pKd | = | 4.7 | Functional | ChEMBL | 228 | 6 | 2 | 4 | 1.7 | CC(C)NCC(O)CON=C1CCCCC1 | 10.1021/jm00380a001 | ||
| CHEMBL1178787 | 25507 | 0 | None | None | None | Guinea pig | 4.7 | pKd | = | 4.7 | Functional | ChEMBL | 228 | 6 | 2 | 4 | 1.7 | CC(C)NCC(O)CON=C1CCCCC1 | 10.1021/jm00380a001 | ||
| 2303 | 6476 | 48 | None | None | None | Guinea pig | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00180a007 | ||
| 4946 | 6476 | 48 | None | None | None | Guinea pig | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00180a007 | ||
| 564 | 6476 | 48 | None | None | None | Guinea pig | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00180a007 | ||
| 63 | 6476 | 48 | None | None | None | Guinea pig | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00180a007 | ||
| 91536 | 6476 | 48 | None | None | None | Guinea pig | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00180a007 | ||
| CHEMBL27 | 6476 | 48 | None | None | None | Guinea pig | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00180a007 | ||
| CHEMBL452861 | 6476 | 48 | None | None | None | Guinea pig | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00180a007 | ||
| DB00571 | 6476 | 48 | None | None | None | Guinea pig | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00180a007 | ||
| 2176 | 6361 | 47 | None | None | None | Human | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 10.1021/jm2008562 | ||
| 4828 | 6361 | 47 | None | None | None | Human | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 10.1021/jm2008562 | ||
| 91 | 6361 | 47 | None | None | None | Human | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 10.1021/jm2008562 | ||
| CHEMBL500 | 6361 | 47 | None | None | None | Human | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 10.1021/jm2008562 | ||
| DB00960 | 6361 | 47 | None | None | None | Human | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 10.1021/jm2008562 | ||
| 2303 | 6476 | 48 | None | None | None | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm970338c | ||
| 4946 | 6476 | 48 | None | None | None | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm970338c | ||
| 564 | 6476 | 48 | None | None | None | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm970338c | ||
| 63 | 6476 | 48 | None | None | None | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm970338c | ||
| 91536 | 6476 | 48 | None | None | None | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm970338c | ||
| CHEMBL27 | 6476 | 48 | None | None | None | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm970338c | ||
| CHEMBL452861 | 6476 | 48 | None | None | None | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm970338c | ||
| DB00571 | 6476 | 48 | None | None | None | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm970338c | ||
| 56597179 | 179131 | 0 | None | None | None | Human | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 473 | 14 | 5 | 7 | 2.9 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccc(O)cc1 | 10.1021/jm400348g | ||
| CHEMBL2348219 | 179131 | 0 | None | None | None | Human | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 473 | 14 | 5 | 7 | 2.9 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccc(O)cc1 | 10.1021/jm400348g | ||
| 2369 | 1284 | 48 | None | None | None | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00389a008 | ||
| 356 | 1284 | 48 | None | None | None | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00389a008 | ||
| 549 | 1284 | 48 | None | None | None | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00389a008 | ||
| CHEMBL423 | 1284 | 48 | None | None | None | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00389a008 | ||
| DB00195 | 1284 | 48 | None | None | None | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00389a008 | ||
| 44264404 | 27679 | 0 | None | None | None | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 319 | 11 | 2 | 4 | 2.5 | OC(CNC1CC1)COc1ccc(CCOCC2CCC2)cc1 | 10.1021/jm00389a008 | ||
| CHEMBL1192875 | 27679 | 0 | None | None | None | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 319 | 11 | 2 | 4 | 2.5 | OC(CNC1CC1)COc1ccc(CCOCC2CCC2)cc1 | 10.1021/jm00389a008 | ||
| 2369 | 1284 | 48 | None | None | None | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00389a008 | ||
| 356 | 1284 | 48 | None | None | None | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00389a008 | ||
| 549 | 1284 | 48 | None | None | None | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00389a008 | ||
| CHEMBL423 | 1284 | 48 | None | None | None | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00389a008 | ||
| DB00195 | 1284 | 48 | None | None | None | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00389a008 | ||
| 44287522 | 25504 | 0 | None | None | None | Guinea pig | 4.7 | pKd | = | 4.7 | Functional | ChEMBL | 244 | 10 | 2 | 4 | 2.3 | CCCC(CCC)=NOCC(O)CNC(C)C | 10.1021/jm00380a001 | ||
| CHEMBL1178778 | 25504 | 0 | None | None | None | Guinea pig | 4.7 | pKd | = | 4.7 | Functional | ChEMBL | 244 | 10 | 2 | 4 | 2.3 | CCCC(CCC)=NOCC(O)CNC(C)C | 10.1021/jm00380a001 | ||
| 54757027 | 137791 | 0 | None | None | None | Human | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 889 | 26 | 4 | 8 | 9.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCCCCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| CHEMBL1830490 | 137791 | 0 | None | None | None | Human | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 889 | 26 | 4 | 8 | 9.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCCCCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| 1786 | 5120 | 49 | None | None | None | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00389a008 | ||
| 4171 | 5120 | 49 | None | None | None | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00389a008 | ||
| 553 | 5120 | 49 | None | None | None | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00389a008 | ||
| CHEMBL13 | 5120 | 49 | None | None | None | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00389a008 | ||
| DB00264 | 5120 | 49 | None | None | None | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00389a008 | ||
| 1786 | 5120 | 49 | None | None | None | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00389a008 | ||
| 4171 | 5120 | 49 | None | None | None | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00389a008 | ||
| 553 | 5120 | 49 | None | None | None | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00389a008 | ||
| CHEMBL13 | 5120 | 49 | None | None | None | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00389a008 | ||
| DB00264 | 5120 | 49 | None | None | None | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00389a008 | ||
| 172462381 | 389089 | 0 | None | None | None | Human | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 383 | 9 | 2 | 5 | 3.4 | CC1(C)CC(=O)c2ccc(OC[C@H](O)CNCCCc3ccccc3)cc2O1 | 10.1016/j.ejmech.2022.114961 | ||
| CHEMBL5431834 | 389089 | 0 | None | None | None | Human | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 383 | 9 | 2 | 5 | 3.4 | CC1(C)CC(=O)c2ccc(OC[C@H](O)CNCCCc3ccccc3)cc2O1 | 10.1016/j.ejmech.2022.114961 | ||
| 54757026 | 137790 | 0 | None | None | None | Human | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 833 | 22 | 4 | 8 | 7.5 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| CHEMBL1830489 | 137790 | 0 | None | None | None | Human | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 833 | 22 | 4 | 8 | 7.5 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| 172455562 | 388694 | 0 | None | None | None | Human | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 383 | 7 | 2 | 7 | 2.0 | O=c1ccc2ccc(OC[C@@H](O)CNCC3COc4ccccc4O3)cc2o1 | 10.1016/j.ejmech.2022.114961 | ||
| CHEMBL5422259 | 388694 | 0 | None | None | None | Human | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 383 | 7 | 2 | 7 | 2.0 | O=c1ccc2ccc(OC[C@@H](O)CNCC3COc4ccccc4O3)cc2o1 | 10.1016/j.ejmech.2022.114961 | ||
| 44287498 | 26672 | 0 | None | None | None | Guinea pig | 4.6 | pKd | = | 4.6 | Functional | ChEMBL | 214 | 6 | 2 | 4 | 1.3 | CC(C)NCC(O)CON=C1CCCC1 | 10.1021/jm00380a001 | ||
| CHEMBL1185760 | 26672 | 0 | None | None | None | Guinea pig | 4.6 | pKd | = | 4.6 | Functional | ChEMBL | 214 | 6 | 2 | 4 | 1.3 | CC(C)NCC(O)CON=C1CCCC1 | 10.1021/jm00380a001 | ||
| 127940 | 469760 | 4 | None | None | None | Human | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 351 | 8 | 4 | 3 | 2.9 | CC(CCc1ccccc1)NCC(O)c1cc(C(N)=O)c2[nH]ccc2c1 | 10.1021/jm00156a019 | ||
| CHEMBL7585 | 469760 | 4 | None | None | None | Human | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 351 | 8 | 4 | 3 | 2.9 | CC(CCc1ccccc1)NCC(O)c1cc(C(N)=O)c2[nH]ccc2c1 | 10.1021/jm00156a019 | ||
| 172462257 | 389030 | 0 | None | None | None | Human | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 459 | 10 | 2 | 5 | 5.0 | CC1(C)CC(=O)c2ccc(OC[C@@H](O)CNCCC(c3ccccc3)c3ccccc3)cc2O1 | 10.1016/j.ejmech.2022.114961 | ||
| CHEMBL5430355 | 389030 | 0 | None | None | None | Human | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 459 | 10 | 2 | 5 | 5.0 | CC1(C)CC(=O)c2ccc(OC[C@@H](O)CNCCC(c3ccccc3)c3ccccc3)cc2O1 | 10.1016/j.ejmech.2022.114961 | ||
| 56598833 | 179129 | 0 | None | None | None | Human | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 433 | 14 | 5 | 7 | 2.0 | CCOCCOc1ccc(OCC(O)CNCCNC(=O)Nc2ccc(O)cc2)cc1 | 10.1021/jm400348g | ||
| CHEMBL2348217 | 179129 | 0 | None | None | None | Human | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 433 | 14 | 5 | 7 | 2.0 | CCOCCOc1ccc(OCC(O)CNCCNC(=O)Nc2ccc(O)cc2)cc1 | 10.1021/jm400348g | ||
| 168613 | 116545 | 17 | None | None | None | Guinea pig | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | CC(C)(C)NC[C@@H](O)COc1nsnc1N1CCOCC1 | 10.1021/jm00350a009 | ||
| CHEMBL1744069 | 116545 | 17 | None | None | None | Guinea pig | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | CC(C)(C)NC[C@@H](O)COc1nsnc1N1CCOCC1 | 10.1021/jm00350a009 | ||
| 12733306 | 122857 | 0 | None | None | None | Guinea pig | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 368 | 5 | 1 | 6 | 2.5 | COc1ccccc1N1CCN(CC(O)C2=COc3ccccc3O2)CC1 | 10.1021/jm00140a015 | ||
| CHEMBL173882 | 122857 | 0 | None | None | None | Guinea pig | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 368 | 5 | 1 | 6 | 2.5 | COc1ccccc1N1CCN(CC(O)C2=COc3ccccc3O2)CC1 | 10.1021/jm00140a015 | ||
| 2303 | 6476 | 48 | None | None | None | Rat | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm970338c | ||
| 4946 | 6476 | 48 | None | None | None | Rat | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm970338c | ||
| 564 | 6476 | 48 | None | None | None | Rat | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm970338c | ||
| 63 | 6476 | 48 | None | None | None | Rat | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm970338c | ||
| 91536 | 6476 | 48 | None | None | None | Rat | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm970338c | ||
| CHEMBL27 | 6476 | 48 | None | None | None | Rat | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm970338c | ||
| CHEMBL452861 | 6476 | 48 | None | None | None | Rat | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm970338c | ||
| DB00571 | 6476 | 48 | None | None | None | Rat | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm970338c | ||
| 10042467 | 2937 | 1 | None | None | None | Guinea pig | 4.6 | pKd | = | 4.6 | Functional | ChEMBL | 333 | 8 | 1 | 2 | 4.3 | CN(CCc1cnc([nH]1)CCC(c1ccccc1)c1ccccc1)C | 10.1021/jm991056a | ||
| 1203 | 2937 | 1 | None | None | None | Guinea pig | 4.6 | pKd | = | 4.6 | Functional | ChEMBL | 333 | 8 | 1 | 2 | 4.3 | CN(CCc1cnc([nH]1)CCC(c1ccccc1)c1ccccc1)C | 10.1021/jm991056a | ||
| CHEMBL11553 | 2937 | 1 | None | None | None | Guinea pig | 4.6 | pKd | = | 4.6 | Functional | ChEMBL | 333 | 8 | 1 | 2 | 4.3 | CN(CCc1cnc([nH]1)CCC(c1ccccc1)c1ccccc1)C | 10.1021/jm991056a | ||
| 44371642 | 102460 | 0 | None | None | None | Guinea pig | 4.6 | pKd | = | 4.6 | Functional | ChEMBL | 203 | 6 | 2 | 4 | 0.5 | CC(C)NCC(O)COC(=O)C(C)C | 10.1021/jm00387a006 | ||
| CHEMBL156271 | 102460 | 0 | None | None | None | Guinea pig | 4.6 | pKd | = | 4.6 | Functional | ChEMBL | 203 | 6 | 2 | 4 | 0.5 | CC(C)NCC(O)COC(=O)C(C)C | 10.1021/jm00387a006 | ||
| 12606702 | 26285 | 0 | None | None | None | Guinea pig | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 242 | 5 | 2 | 4 | 2.1 | CC(C)(C)NCC(O)CON=C1CCCCC1 | 10.1021/jm00180a007 | ||
| CHEMBL1183312 | 26285 | 0 | None | None | None | Guinea pig | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 242 | 5 | 2 | 4 | 2.1 | CC(C)(C)NCC(O)CON=C1CCCCC1 | 10.1021/jm00180a007 | ||
| 12606704 | 38229 | 0 | None | None | None | Guinea pig | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 290 | 7 | 2 | 4 | 2.8 | CC(/C=C/c1ccccc1)=N\OCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
| CHEMBL1199951 | 38229 | 0 | None | None | None | Guinea pig | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 290 | 7 | 2 | 4 | 2.8 | CC(/C=C/c1ccccc1)=N\OCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
| 44371312 | 102500 | 0 | None | None | None | Guinea pig | 4.6 | pKd | = | 4.6 | Functional | ChEMBL | 203 | 5 | 2 | 4 | 0.7 | CCC(=O)OCC(O)CNC(C)(C)C | 10.1021/jm00387a006 | ||
| CHEMBL156304 | 102500 | 0 | None | None | None | Guinea pig | 4.6 | pKd | = | 4.6 | Functional | ChEMBL | 203 | 5 | 2 | 4 | 0.7 | CCC(=O)OCC(O)CNC(C)(C)C | 10.1021/jm00387a006 | ||
| 44264509 | 468682 | 0 | None | None | None | Rat | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 429 | 14 | 2 | 4 | 4.5 | CC(CCc1ccc(F)cc1)NCC(O)COc1ccc(CCOCC2CCC2)cc1 | 10.1021/jm00389a008 | ||
| CHEMBL6749 | 468682 | 0 | None | None | None | Rat | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 429 | 14 | 2 | 4 | 4.5 | CC(CCc1ccc(F)cc1)NCC(O)COc1ccc(CCOCC2CCC2)cc1 | 10.1021/jm00389a008 | ||
| 3047492 | 468929 | 4 | None | None | None | Guinea pig | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 293 | 10 | 2 | 4 | 2.4 | CC(C)NCC(O)COc1ccc(COCC2CC2)cc1 | 10.1021/jm00389a008 | ||
| CHEMBL6939 | 468929 | 4 | None | None | None | Guinea pig | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 293 | 10 | 2 | 4 | 2.4 | CC(C)NCC(O)COc1ccc(COCC2CC2)cc1 | 10.1021/jm00389a008 | ||
| 2303 | 6476 | 48 | None | None | None | Guinea pig | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00373a008 | ||
| 4946 | 6476 | 48 | None | None | None | Guinea pig | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00373a008 | ||
| 564 | 6476 | 48 | None | None | None | Guinea pig | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00373a008 | ||
| 63 | 6476 | 48 | None | None | None | Guinea pig | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00373a008 | ||
| 91536 | 6476 | 48 | None | None | None | Guinea pig | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00373a008 | ||
| CHEMBL27 | 6476 | 48 | None | None | None | Guinea pig | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00373a008 | ||
| CHEMBL452861 | 6476 | 48 | None | None | None | Guinea pig | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00373a008 | ||
| DB00571 | 6476 | 48 | None | None | None | Guinea pig | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00373a008 | ||
| 54669764 | 137792 | 0 | None | None | None | Human | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 893 | 26 | 4 | 10 | 6.8 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCOCCOCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| CHEMBL1830491 | 137792 | 0 | None | None | None | Human | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 893 | 26 | 4 | 10 | 6.8 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCOCCOCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| 56598967 | 179123 | 0 | None | None | None | Human | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 457 | 14 | 4 | 6 | 3.2 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccccc1 | 10.1021/jm400348g | ||
| CHEMBL2348211 | 179123 | 0 | None | None | None | Human | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 457 | 14 | 4 | 6 | 3.2 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccccc1 | 10.1021/jm400348g | ||
| 54757026 | 137790 | 0 | None | None | None | Human | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 833 | 22 | 4 | 8 | 7.5 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| CHEMBL1830489 | 137790 | 0 | None | None | None | Human | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 833 | 22 | 4 | 8 | 7.5 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| 54758320 | 137818 | 0 | None | None | None | Human | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 794 | 20 | 5 | 8 | 6.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCNCC(O)COc1cccc2[nH]ccc12 | 10.1021/jm2008562 | ||
| CHEMBL1830620 | 137818 | 0 | None | None | None | Human | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 794 | 20 | 5 | 8 | 6.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCNCC(O)COc1cccc2[nH]ccc12 | 10.1021/jm2008562 | ||
| 12606706 | 184036 | 0 | None | None | None | Guinea pig | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 202 | 5 | 2 | 4 | 1.1 | CC(C)=NOCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
| CHEMBL24480 | 184036 | 0 | None | None | None | Guinea pig | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 202 | 5 | 2 | 4 | 1.1 | CC(C)=NOCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
| 172445308 | 387418 | 0 | None | None | None | Human | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 413 | 8 | 2 | 7 | 2.7 | CC1(C)CC(=O)c2ccc(OC[C@H](O)CNCCc3ccc4c(c3)OCO4)cc2O1 | 10.1016/j.ejmech.2022.114961 | ||
| CHEMBL5395772 | 387418 | 0 | None | None | None | Human | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 413 | 8 | 2 | 7 | 2.7 | CC1(C)CC(=O)c2ccc(OC[C@H](O)CNCCc3ccc4c(c3)OCO4)cc2O1 | 10.1016/j.ejmech.2022.114961 | ||
| 1531 | 4617 | 40 | None | None | None | Guinea pig | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | 10.1021/jm00156a019 | ||
| 3869 | 4617 | 40 | None | None | None | Guinea pig | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | 10.1021/jm00156a019 | ||
| 7207 | 4617 | 40 | None | None | None | Guinea pig | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | 10.1021/jm00156a019 | ||
| CHEMBL429 | 4617 | 40 | None | None | None | Guinea pig | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | 10.1021/jm00156a019 | ||
| DB00598 | 4617 | 40 | None | None | None | Guinea pig | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | 10.1021/jm00156a019 | ||
| 172461924 | 389127 | 0 | None | None | None | Human | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 413 | 7 | 2 | 7 | 2.6 | CC1(C)CC(=O)c2ccc(OC[C@H](O)CNCC3COc4ccccc4O3)cc2O1 | 10.1016/j.ejmech.2022.114961 | ||
| CHEMBL5432691 | 389127 | 0 | None | None | None | Human | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 413 | 7 | 2 | 7 | 2.6 | CC1(C)CC(=O)c2ccc(OC[C@H](O)CNCC3COc4ccccc4O3)cc2O1 | 10.1016/j.ejmech.2022.114961 | ||
| 172470154 | 389354 | 0 | None | None | None | Human | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 396 | 9 | 3 | 6 | 2.3 | CC(=O)Nc1ccc(CCNC[C@H](O)COc2ccc3ccc(=O)oc3c2)cc1 | 10.1016/j.ejmech.2022.114961 | ||
| CHEMBL5437540 | 389354 | 0 | None | None | None | Human | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 396 | 9 | 3 | 6 | 2.3 | CC(=O)Nc1ccc(CCNC[C@H](O)COc2ccc3ccc(=O)oc3c2)cc1 | 10.1016/j.ejmech.2022.114961 | ||
| 121848 | 251266 | 2 | None | None | None | Guinea pig | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 324 | 5 | 2 | 4 | 3.2 | CC(C)(C)NCC(O)CON=C1c2ccccc2-c2ccccc21 | 10.1021/jm00350a009 | ||
| CHEMBL368457 | 251266 | 2 | None | None | None | Guinea pig | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 324 | 5 | 2 | 4 | 3.2 | CC(C)(C)NCC(O)CON=C1c2ccccc2-c2ccccc21 | 10.1021/jm00350a009 | ||
| 10028830 | 7965 | 32 | None | None | None | Human | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 497 | 13 | 4 | 6 | 2.7 | CC(=O)NCC1=CC(=CC=C1)OC[C@H](CNCCC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)O | 10.1016/j.ejmech.2022.114961 | ||
| 13196 | 7965 | 32 | None | None | None | Human | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 497 | 13 | 4 | 6 | 2.7 | CC(=O)NCC1=CC(=CC=C1)OC[C@H](CNCCC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)O | 10.1016/j.ejmech.2022.114961 | ||
| CHEMBL4238084 | 7965 | 32 | None | None | None | Human | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 497 | 13 | 4 | 6 | 2.7 | CC(=O)NCC1=CC(=CC=C1)OC[C@H](CNCCC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)O | 10.1016/j.ejmech.2022.114961 | ||
| 44264298 | 27630 | 0 | None | None | None | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 346 | 12 | 2 | 5 | 2.7 | CC(CC#N)NCC(O)COc1ccc(CCOCC2CCC2)cc1 | 10.1021/jm00389a008 | ||
| CHEMBL1192477 | 27630 | 0 | None | None | None | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 346 | 12 | 2 | 5 | 2.7 | CC(CC#N)NCC(O)COc1ccc(CCOCC2CCC2)cc1 | 10.1021/jm00389a008 | ||
| 12778440 | 122944 | 0 | None | None | None | Guinea pig | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 338 | 7 | 2 | 4 | 3.6 | CCC(C)(C)NCC(O)CON=C1c2ccccc2-c2ccccc21 | 10.1021/jm00350a009 | ||
| CHEMBL173976 | 122944 | 0 | None | None | None | Guinea pig | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 338 | 7 | 2 | 4 | 3.6 | CCC(C)(C)NCC(O)CON=C1c2ccccc2-c2ccccc21 | 10.1021/jm00350a009 | ||
| 54756929 | 137789 | 0 | None | None | None | Human | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 805 | 20 | 4 | 8 | 6.7 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| CHEMBL1830488 | 137789 | 0 | None | None | None | Human | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 805 | 20 | 4 | 8 | 6.7 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| 44263933 | 27910 | 0 | None | None | None | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 307 | 10 | 2 | 4 | 2.7 | CC(C)NCC(O)COc1ccc(COCC2CCC2)cc1 | 10.1021/jm00389a008 | ||
| CHEMBL1194583 | 27910 | 0 | None | None | None | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 307 | 10 | 2 | 4 | 2.7 | CC(C)NCC(O)COc1ccc(COCC2CCC2)cc1 | 10.1021/jm00389a008 | ||
| 172455968 | 388746 | 0 | None | None | None | Human | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 371 | 7 | 2 | 7 | 1.4 | O=C1COc2cc(OC[C@@H](O)CNCC3COc4ccccc4O3)ccc21 | 10.1016/j.ejmech.2022.114961 | ||
| CHEMBL5423415 | 388746 | 0 | None | None | None | Human | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 371 | 7 | 2 | 7 | 1.4 | O=C1COc2cc(OC[C@@H](O)CNCC3COc4ccccc4O3)ccc21 | 10.1016/j.ejmech.2022.114961 | ||
| 172461561 | 389141 | 0 | None | None | None | Human | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 413 | 7 | 2 | 7 | 2.6 | CC1(C)CC(=O)c2ccc(OC[C@@H](O)CNCC3COc4ccccc4O3)cc2O1 | 10.1016/j.ejmech.2022.114961 | ||
| CHEMBL5432967 | 389141 | 0 | None | None | None | Human | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 413 | 7 | 2 | 7 | 2.6 | CC1(C)CC(=O)c2ccc(OC[C@@H](O)CNCC3COc4ccccc4O3)cc2O1 | 10.1016/j.ejmech.2022.114961 | ||
| 5311452 | 7458 | 12 | None | None | None | Human | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 325 | 7 | 2 | 3 | 3.7 | CCc1ccccc1OC[C@H](CN[C@H]1CCCc2c1cccc2)O | 10.1016/j.ejmech.2022.114961 | ||
| 547 | 7458 | 12 | None | None | None | Human | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 325 | 7 | 2 | 3 | 3.7 | CCc1ccccc1OC[C@H](CN[C@H]1CCCc2c1cccc2)O | 10.1016/j.ejmech.2022.114961 | ||
| CHEMBL1326499 | 7458 | 12 | None | None | None | Human | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 325 | 7 | 2 | 3 | 3.7 | CCc1ccccc1OC[C@H](CN[C@H]1CCCc2c1cccc2)O | 10.1016/j.ejmech.2022.114961 | ||
| 2447484 | 193822 | 0 | None | None | None | Guinea pig | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 324 | 5 | 2 | 4 | 3.2 | CC(C)(C)NC[C@H](O)CON=C1c2ccccc2-c2ccccc21 | 10.1021/jm00350a009 | ||
| CHEMBL305153 | 193822 | 0 | None | None | None | Guinea pig | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 324 | 5 | 2 | 4 | 3.2 | CC(C)(C)NC[C@H](O)CON=C1c2ccccc2-c2ccccc21 | 10.1021/jm00350a009 | ||
| 54758415 | 137819 | 0 | None | None | None | Human | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 882 | 26 | 5 | 10 | 6.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCOCCOCCNCC(O)COc1cccc2[nH]ccc12 | 10.1021/jm2008562 | ||
| CHEMBL1830621 | 137819 | 0 | None | None | None | Human | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 882 | 26 | 5 | 10 | 6.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCOCCOCCNCC(O)COc1cccc2[nH]ccc12 | 10.1021/jm2008562 | ||
| 12606709 | 38256 | 0 | None | None | None | Guinea pig | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 296 | 5 | 2 | 4 | 3.0 | CC(C)(C)NCC(O)CO/N=C1\CC2CCC1(C)C2(C)C | 10.1021/jm00180a007 | ||
| CHEMBL1200073 | 38256 | 0 | None | None | None | Guinea pig | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 296 | 5 | 2 | 4 | 3.0 | CC(C)(C)NCC(O)CO/N=C1\CC2CCC1(C)C2(C)C | 10.1021/jm00180a007 | ||
| 3047500 | 27534 | 0 | None | None | None | Guinea pig | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 349 | 11 | 2 | 4 | 3.6 | CC(C)NCC(O)COc1ccc(CCOCC2CCCCC2)cc1 | 10.1021/jm00389a008 | ||
| CHEMBL1191645 | 27534 | 0 | None | None | None | Guinea pig | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 349 | 11 | 2 | 4 | 3.6 | CC(C)NCC(O)COc1ccc(CCOCC2CCCCC2)cc1 | 10.1021/jm00389a008 | ||
| 44371514 | 25977 | 0 | None | None | None | Guinea pig | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 216 | 8 | 2 | 4 | 1.5 | CCC/C(C)=N\OCC(O)CNC(C)C | 10.1021/jm00180a007 | ||
| CHEMBL1181235 | 25977 | 0 | None | None | None | Guinea pig | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 216 | 8 | 2 | 4 | 1.5 | CCC/C(C)=N\OCC(O)CNC(C)C | 10.1021/jm00180a007 | ||
| 172465355 | 388862 | 0 | None | None | None | Human | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 383 | 9 | 2 | 5 | 3.4 | CC1(C)CC(=O)c2ccc(OC[C@@H](O)CNCCCc3ccccc3)cc2O1 | 10.1016/j.ejmech.2022.114961 | ||
| CHEMBL5426087 | 388862 | 0 | None | None | None | Human | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 383 | 9 | 2 | 5 | 3.4 | CC1(C)CC(=O)c2ccc(OC[C@@H](O)CNCCCc3ccccc3)cc2O1 | 10.1016/j.ejmech.2022.114961 | ||
| 127940 | 469760 | 4 | None | None | None | Guinea pig | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 351 | 8 | 4 | 3 | 2.9 | CC(CCc1ccccc1)NCC(O)c1cc(C(N)=O)c2[nH]ccc2c1 | 10.1021/jm00156a019 | ||
| CHEMBL7585 | 469760 | 4 | None | None | None | Guinea pig | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 351 | 8 | 4 | 3 | 2.9 | CC(CCc1ccccc1)NCC(O)c1cc(C(N)=O)c2[nH]ccc2c1 | 10.1021/jm00156a019 | ||
| 2369 | 1284 | 48 | None | None | None | Guinea pig | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00389a008 | ||
| 356 | 1284 | 48 | None | None | None | Guinea pig | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00389a008 | ||
| 549 | 1284 | 48 | None | None | None | Guinea pig | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00389a008 | ||
| CHEMBL423 | 1284 | 48 | None | None | None | Guinea pig | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00389a008 | ||
| DB00195 | 1284 | 48 | None | None | None | Guinea pig | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00389a008 | ||
| 137 | 765 | 35 | None | None | None | Human | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm2008562 | ||
| 2119 | 765 | 35 | None | None | None | Human | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm2008562 | ||
| 563 | 765 | 35 | None | None | None | Human | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm2008562 | ||
| 66368 | 765 | 35 | None | None | None | Human | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm2008562 | ||
| CHEMBL266195 | 765 | 35 | None | None | None | Human | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm2008562 | ||
| DB00866 | 765 | 35 | None | None | None | Human | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm2008562 | ||
| 2303 | 6476 | 48 | None | None | None | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00389a008 | ||
| 4946 | 6476 | 48 | None | None | None | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00389a008 | ||
| 564 | 6476 | 48 | None | None | None | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00389a008 | ||
| 63 | 6476 | 48 | None | None | None | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00389a008 | ||
| 91536 | 6476 | 48 | None | None | None | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00389a008 | ||
| CHEMBL27 | 6476 | 48 | None | None | None | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00389a008 | ||
| CHEMBL452861 | 6476 | 48 | None | None | None | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00389a008 | ||
| DB00571 | 6476 | 48 | None | None | None | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00389a008 | ||
| 2303 | 6476 | 48 | None | None | None | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00389a008 | ||
| 4946 | 6476 | 48 | None | None | None | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00389a008 | ||
| 564 | 6476 | 48 | None | None | None | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00389a008 | ||
| 63 | 6476 | 48 | None | None | None | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00389a008 | ||
| 91536 | 6476 | 48 | None | None | None | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00389a008 | ||
| CHEMBL27 | 6476 | 48 | None | None | None | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00389a008 | ||
| CHEMBL452861 | 6476 | 48 | None | None | None | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00389a008 | ||
| DB00571 | 6476 | 48 | None | None | None | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00389a008 | ||
| 54757232 | 137816 | 0 | None | None | None | Human | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 883 | 28 | 4 | 10 | 6.3 | C=CCc1ccccc1OC[C@@H](O)CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | ||
| CHEMBL1830618 | 137816 | 0 | None | None | None | Human | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 883 | 28 | 4 | 10 | 6.3 | C=CCc1ccccc1OC[C@@H](O)CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | ||
| 54757126 | 137793 | 0 | None | None | None | Human | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 893 | 26 | 4 | 10 | 6.8 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCOCCOCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| CHEMBL1830492 | 137793 | 0 | None | None | None | Human | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 893 | 26 | 4 | 10 | 6.8 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCOCCOCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| 44264188 | 468882 | 0 | None | None | None | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 325 | 10 | 2 | 4 | 2.1 | CC(C)NCC(O)COc1ccc(C[S+]([O-])CC2CC2)cc1 | 10.1021/jm00389a008 | ||
| CHEMBL6902 | 468882 | 0 | None | None | None | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 325 | 10 | 2 | 4 | 2.1 | CC(C)NCC(O)COc1ccc(C[S+]([O-])CC2CC2)cc1 | 10.1021/jm00389a008 | ||
| 54757229 | 137815 | 0 | None | None | None | Human | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 795 | 22 | 4 | 8 | 6.3 | C=CCc1ccccc1OCC(O)CNCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | ||
| CHEMBL1830617 | 137815 | 0 | None | None | None | Human | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 795 | 22 | 4 | 8 | 6.3 | C=CCc1ccccc1OCC(O)CNCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | ||
| 12606687 | 26491 | 0 | None | None | None | Guinea pig | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 175 | 6 | 2 | 3 | 0.8 | CC(C)NCC(O)COC(C)C | 10.1021/jm00180a007 | ||
| CHEMBL1184385 | 26491 | 0 | None | None | None | Guinea pig | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 175 | 6 | 2 | 3 | 0.8 | CC(C)NCC(O)COC(C)C | 10.1021/jm00180a007 | ||
| 134495 | 1544 | 16 | None | None | None | Guinea pig | 4.4 | pKd | = | 4.4 | Functional | ChEMBL | 267 | 5 | 2 | 4 | 2.5 | COc1ccc(cc1C(C(NC(C)(C)C)C)O)OC | 10.1021/jm00387a006 | ||
| 9809 | 1544 | 16 | None | None | None | Guinea pig | 4.4 | pKd | = | 4.4 | Functional | ChEMBL | 267 | 5 | 2 | 4 | 2.5 | COc1ccc(cc1C(C(NC(C)(C)C)C)O)OC | 10.1021/jm00387a006 | ||
| CHEMBL289093 | 1544 | 16 | None | None | None | Guinea pig | 4.4 | pKd | = | 4.4 | Functional | ChEMBL | 267 | 5 | 2 | 4 | 2.5 | COc1ccc(cc1C(C(NC(C)(C)C)C)O)OC | 10.1021/jm00387a006 | ||
| 134495 | 1544 | 16 | None | None | None | Guinea pig | 4.4 | pKd | = | 4.4 | Functional | ChEMBL | 267 | 5 | 2 | 4 | 2.5 | COc1ccc(cc1C(C(NC(C)(C)C)C)O)OC | 10.1021/jm00380a001 | ||
| 9809 | 1544 | 16 | None | None | None | Guinea pig | 4.4 | pKd | = | 4.4 | Functional | ChEMBL | 267 | 5 | 2 | 4 | 2.5 | COc1ccc(cc1C(C(NC(C)(C)C)C)O)OC | 10.1021/jm00380a001 | ||
| CHEMBL289093 | 1544 | 16 | None | None | None | Guinea pig | 4.4 | pKd | = | 4.4 | Functional | ChEMBL | 267 | 5 | 2 | 4 | 2.5 | COc1ccc(cc1C(C(NC(C)(C)C)C)O)OC | 10.1021/jm00380a001 | ||
| 44371383 | 102855 | 1 | None | None | None | Guinea pig | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 257 | 5 | 2 | 5 | 1.7 | CC(C)(C)NCC(O)COC(=O)c1cccs1 | 10.1021/jm00387a006 | ||
| CHEMBL156603 | 102855 | 1 | None | None | None | Guinea pig | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 257 | 5 | 2 | 5 | 1.7 | CC(C)(C)NCC(O)COC(=O)c1cccs1 | 10.1021/jm00387a006 | ||
| 10447834 | 3955 | 1 | None | None | None | Guinea pig | 4.3 | pKd | = | 4.3 | Functional | ChEMBL | 305 | 7 | 2 | 2 | 3.7 | NCCc1cnc([nH]1)CCC(c1ccccc1)c1ccccc1 | 10.1021/jm991056a | ||
| 4026 | 3955 | 1 | None | None | None | Guinea pig | 4.3 | pKd | = | 4.3 | Functional | ChEMBL | 305 | 7 | 2 | 2 | 3.7 | NCCc1cnc([nH]1)CCC(c1ccccc1)c1ccccc1 | 10.1021/jm991056a | ||
| CHEMBL275507 | 3955 | 1 | None | None | None | Guinea pig | 4.3 | pKd | = | 4.3 | Functional | ChEMBL | 305 | 7 | 2 | 2 | 3.7 | NCCc1cnc([nH]1)CCC(c1ccccc1)c1ccccc1 | 10.1021/jm991056a | ||
| 54757129 | 137794 | 0 | None | None | None | Human | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 795 | 22 | 4 | 8 | 6.3 | C=CCc1ccccc1OC[C@@H](O)CNCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | ||
| CHEMBL1830493 | 137794 | 0 | None | None | None | Human | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 795 | 22 | 4 | 8 | 6.3 | C=CCc1ccccc1OC[C@@H](O)CNCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | ||
| 44287469 | 26270 | 0 | None | None | None | Guinea pig | 5.3 | pKd | = | 5.3 | Functional | ChEMBL | 258 | 9 | 2 | 4 | 2.7 | CCCC(CCC)=NOCC(O)CNC(C)(C)C | 10.1021/jm00380a001 | ||
| CHEMBL1183268 | 26270 | 0 | None | None | None | Guinea pig | 5.3 | pKd | = | 5.3 | Functional | ChEMBL | 258 | 9 | 2 | 4 | 2.7 | CCCC(CCC)=NOCC(O)CNC(C)(C)C | 10.1021/jm00380a001 | ||
| 44288489 | 333540 | 0 | None | None | None | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 314 | 8 | 3 | 5 | 2.5 | OC(CNc1nc2ccccc2[nH]1)CON=C(C1CC1)C1CC1 | 10.1021/jm970338c | ||
| CHEMBL43850 | 333540 | 0 | None | None | None | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 314 | 8 | 3 | 5 | 2.5 | OC(CNc1nc2ccccc2[nH]1)CON=C(C1CC1)C1CC1 | 10.1021/jm970338c | ||
| 12606684 | 196429 | 0 | None | None | None | Guinea pig | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 203 | 6 | 2 | 3 | 1.4 | CC(C)COCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
| CHEMBL26003 | 196429 | 0 | None | None | None | Guinea pig | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 203 | 6 | 2 | 3 | 1.4 | CC(C)COCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
| 4752 | 37934 | 24 | None | None | None | Rat | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | CC(C)NC[C@H](O)COc1ccc(CCOCC2CC2)cc1 | 10.1021/jm00389a008 | ||
| 60657 | 37934 | 24 | None | None | None | Rat | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | CC(C)NC[C@H](O)COc1ccc(CCOCC2CC2)cc1 | 10.1021/jm00389a008 | ||
| CHEMBL1201274 | 37934 | 24 | None | None | None | Rat | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | CC(C)NC[C@H](O)COc1ccc(CCOCC2CC2)cc1 | 10.1021/jm00389a008 | ||
| DB09351 | 37934 | 24 | None | None | None | Rat | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | CC(C)NC[C@H](O)COc1ccc(CCOCC2CC2)cc1 | 10.1021/jm00389a008 | ||
| 44371512 | 25947 | 0 | None | None | None | Guinea pig | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 292 | 8 | 2 | 4 | 2.8 | C/C(CCc1ccccc1)=N/OCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
| CHEMBL1181139 | 25947 | 0 | None | None | None | Guinea pig | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 292 | 8 | 2 | 4 | 2.8 | C/C(CCc1ccccc1)=N/OCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
| 91565 | 24103 | 17 | None | None | None | Guinea pig | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 275 | 6 | 3 | 4 | 2.3 | CC(C)NCC(O)COc1ccc(O)c2ccccc12 | 10.1021/jm00373a008 | ||
| CHEMBL1137 | 24103 | 17 | None | None | None | Guinea pig | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 275 | 6 | 3 | 4 | 2.3 | CC(C)NCC(O)COc1ccc(O)c2ccccc12 | 10.1021/jm00373a008 | ||
| 13187531 | 469393 | 0 | None | None | None | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 335 | 10 | 2 | 4 | 3.3 | CC(C)NCC(O)COc1ccc(CCOC2CCCCC2)cc1 | 10.1021/jm00389a008 | ||
| CHEMBL7250 | 469393 | 0 | None | None | None | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 335 | 10 | 2 | 4 | 3.3 | CC(C)NCC(O)COc1ccc(CCOC2CCCCC2)cc1 | 10.1021/jm00389a008 | ||
| 44381395 | 122267 | 0 | None | None | None | Guinea pig | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 289 | 6 | 2 | 5 | 1.2 | CC(C)NCC(O)COC1=CC(=O)C(=O)c2ccccc21 | 10.1021/jm00373a008 | ||
| CHEMBL171432 | 122267 | 0 | None | None | None | Guinea pig | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 289 | 6 | 2 | 5 | 1.2 | CC(C)NCC(O)COC1=CC(=O)C(=O)c2ccccc21 | 10.1021/jm00373a008 | ||
| 54756928 | 137788 | 0 | None | None | None | Human | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 889 | 26 | 4 | 8 | 9.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCCCCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| CHEMBL1830487 | 137788 | 0 | None | None | None | Human | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 889 | 26 | 4 | 8 | 9.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCCCCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| 44287620 | 25505 | 0 | None | None | None | Guinea pig | 4.3 | pKd | = | 4.3 | Functional | ChEMBL | 228 | 5 | 2 | 4 | 1.7 | CC(C)(C)NCC(O)CON=C1CCCC1 | 10.1021/jm00380a001 | ||
| CHEMBL1178780 | 25505 | 0 | None | None | None | Guinea pig | 4.3 | pKd | = | 4.3 | Functional | ChEMBL | 228 | 5 | 2 | 4 | 1.7 | CC(C)(C)NCC(O)CON=C1CCCC1 | 10.1021/jm00380a001 | ||
| 172461757 | 389020 | 0 | None | None | None | Human | 5.3 | pKd | = | 5.3 | Functional | ChEMBL | 383 | 8 | 2 | 7 | 2.1 | O=c1ccc2ccc(OC[C@@H](O)CNCCc3ccc4c(c3)OCO4)cc2o1 | 10.1016/j.ejmech.2022.114961 | ||
| CHEMBL5430136 | 389020 | 0 | None | None | None | Human | 5.3 | pKd | = | 5.3 | Functional | ChEMBL | 383 | 8 | 2 | 7 | 2.1 | O=c1ccc2ccc(OC[C@@H](O)CNCCc3ccc4c(c3)OCO4)cc2o1 | 10.1016/j.ejmech.2022.114961 | ||
| 12606705 | 26204 | 0 | None | None | None | Guinea pig | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 188 | 6 | 2 | 4 | 0.8 | CC(C)=NOCC(O)CNC(C)C | 10.1021/jm00180a007 | ||
| CHEMBL1182729 | 26204 | 0 | None | None | None | Guinea pig | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 188 | 6 | 2 | 4 | 0.8 | CC(C)=NOCC(O)CNC(C)C | 10.1021/jm00180a007 | ||
| 2685 | 1837 | 22 | None | None | None | Human | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/jm400348g | ||
| 541 | 1837 | 22 | None | None | None | Human | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/jm400348g | ||
| CHEMBL280822 | 1837 | 22 | None | None | None | Human | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/jm400348g | ||
| 172442898 | 387738 | 0 | None | None | None | Human | 5.2 | pKd | = | 5.2 | Functional | ChEMBL | 366 | 7 | 2 | 6 | 2.4 | O[C@@H](CNCC1COc2ccccc2O1)COc1ccnc2ccccc12 | 10.1016/j.ejmech.2022.114961 | ||
| CHEMBL5402516 | 387738 | 0 | None | None | None | Human | 5.2 | pKd | = | 5.2 | Functional | ChEMBL | 366 | 7 | 2 | 6 | 2.4 | O[C@@H](CNCC1COc2ccccc2O1)COc1ccnc2ccccc12 | 10.1016/j.ejmech.2022.114961 | ||
| 20554490 | 27607 | 0 | None | None | None | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 364 | 13 | 3 | 5 | 1.5 | CC(=O)NCCNCC(O)COc1ccc(CCOCC2CCC2)cc1 | 10.1021/jm00389a008 | ||
| CHEMBL1192270 | 27607 | 0 | None | None | None | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 364 | 13 | 3 | 5 | 1.5 | CC(=O)NCCNCC(O)COc1ccc(CCOCC2CCC2)cc1 | 10.1021/jm00389a008 | ||
| 12733303 | 123160 | 0 | None | None | None | Guinea pig | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 261 | 3 | 1 | 4 | 2.1 | OC(CN1CCCCC1)C1=COc2ccccc2O1 | 10.1021/jm00140a015 | ||
| CHEMBL174882 | 123160 | 0 | None | None | None | Guinea pig | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 261 | 3 | 1 | 4 | 2.1 | OC(CN1CCCCC1)C1=COc2ccccc2O1 | 10.1021/jm00140a015 | ||
| 54669764 | 137792 | 0 | None | None | None | Human | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 893 | 26 | 4 | 10 | 6.8 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCOCCOCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| CHEMBL1830491 | 137792 | 0 | None | None | None | Human | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 893 | 26 | 4 | 10 | 6.8 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCOCCOCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| 44264149 | 27736 | 0 | None | None | None | Rat | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 397 | 11 | 2 | 5 | 3.0 | CC(C)NCC(O)COc1ccc(CCS(=O)(=O)CC2CCCCC2)cc1 | 10.1021/jm00389a008 | ||
| CHEMBL1193283 | 27736 | 0 | None | None | None | Rat | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 397 | 11 | 2 | 5 | 3.0 | CC(C)NCC(O)COc1ccc(CCS(=O)(=O)CC2CCCCC2)cc1 | 10.1021/jm00389a008 | ||
| 54757232 | 137816 | 0 | None | None | None | Human | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 883 | 28 | 4 | 10 | 6.3 | C=CCc1ccccc1OC[C@@H](O)CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | ||
| CHEMBL1830618 | 137816 | 0 | None | None | None | Human | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 883 | 28 | 4 | 10 | 6.3 | C=CCc1ccccc1OC[C@@H](O)CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | ||
| 157716 | 77360 | 22 | None | None | None | Guinea pig | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(OC[C@@H](O)CNC(C)C)cc1 | 10.1021/jm00350a009 | ||
| CHEMBL148306 | 77360 | 22 | None | None | None | Guinea pig | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(OC[C@@H](O)CNC(C)C)cc1 | 10.1021/jm00350a009 | ||
| 44371389 | 26486 | 0 | None | None | None | Guinea pig | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 202 | 7 | 2 | 4 | 1.1 | CC/C(C)=N\OCC(O)CNC(C)C | 10.1021/jm00180a007 | ||
| CHEMBL1184362 | 26486 | 0 | None | None | None | Guinea pig | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 202 | 7 | 2 | 4 | 1.1 | CC/C(C)=N\OCC(O)CNC(C)C | 10.1021/jm00180a007 | ||
| 1786 | 5120 | 49 | None | None | None | Guinea pig | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00389a008 | ||
| 4171 | 5120 | 49 | None | None | None | Guinea pig | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00389a008 | ||
| 553 | 5120 | 49 | None | None | None | Guinea pig | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00389a008 | ||
| CHEMBL13 | 5120 | 49 | None | None | None | Guinea pig | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00389a008 | ||
| DB00264 | 5120 | 49 | None | None | None | Guinea pig | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00389a008 | ||
| 54757129 | 137794 | 0 | None | None | None | Human | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 795 | 22 | 4 | 8 | 6.3 | C=CCc1ccccc1OC[C@@H](O)CNCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | ||
| CHEMBL1830493 | 137794 | 0 | None | None | None | Human | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 795 | 22 | 4 | 8 | 6.3 | C=CCc1ccccc1OC[C@@H](O)CNCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | ||
| 157717 | 116541 | 33 | None | None | None | Guinea pig | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(OC[C@H](O)CNC(C)C)cc1 | 10.1021/jm00350a009 | ||
| CHEMBL1741004 | 116541 | 33 | None | None | None | Guinea pig | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(OC[C@H](O)CNC(C)C)cc1 | 10.1021/jm00350a009 | ||
| 54756929 | 137789 | 0 | None | None | None | Human | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 805 | 20 | 4 | 8 | 6.7 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| CHEMBL1830488 | 137789 | 0 | None | None | None | Human | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 805 | 20 | 4 | 8 | 6.7 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| 54757331 | 137817 | 0 | None | None | None | Human | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 883 | 28 | 4 | 10 | 6.3 | C=CCc1ccccc1OCC(O)CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | ||
| CHEMBL1830619 | 137817 | 0 | None | None | None | Human | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 883 | 28 | 4 | 10 | 6.3 | C=CCc1ccccc1OCC(O)CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | ||
| 20554484 | 469076 | 0 | None | None | None | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 337 | 11 | 2 | 4 | 3.5 | CC(C)NCC(O)COc1ccc(CCSCC2CCC2)cc1 | 10.1021/jm00389a008 | ||
| CHEMBL7043 | 469076 | 0 | None | None | None | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 337 | 11 | 2 | 4 | 3.5 | CC(C)NCC(O)COc1ccc(CCSCC2CCC2)cc1 | 10.1021/jm00389a008 | ||
| 44264171 | 197391 | 0 | None | None | None | Rat | 5.1 | pKd | = | 5.1 | Functional | ChEMBL | 411 | 14 | 2 | 4 | 4.4 | CC(CCc1ccccc1)NCC(O)COc1ccc(CCOCC2CCC2)cc1 | 10.1021/jm00389a008 | ||
| CHEMBL267220 | 197391 | 0 | None | None | None | Rat | 5.1 | pKd | = | 5.1 | Functional | ChEMBL | 411 | 14 | 2 | 4 | 4.4 | CC(CCc1ccccc1)NCC(O)COc1ccc(CCOCC2CCC2)cc1 | 10.1021/jm00389a008 | ||
| 54756928 | 137788 | 0 | None | None | None | Human | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 889 | 26 | 4 | 8 | 9.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCCCCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| CHEMBL1830487 | 137788 | 0 | None | None | None | Human | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 889 | 26 | 4 | 8 | 9.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCCCCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| 44371561 | 102958 | 0 | None | None | None | Guinea pig | 5.1 | pKd | = | 5.1 | Functional | ChEMBL | 257 | 5 | 2 | 4 | 1.9 | CC(C)(C)NCC(O)COC(=O)C1CCCCC1 | 10.1021/jm00387a006 | ||
| CHEMBL156682 | 102958 | 0 | None | None | None | Guinea pig | 5.1 | pKd | = | 5.1 | Functional | ChEMBL | 257 | 5 | 2 | 4 | 1.9 | CC(C)(C)NCC(O)COC(=O)C1CCCCC1 | 10.1021/jm00387a006 | ||
| 54758417 | 137786 | 0 | None | None | None | Human | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 805 | 20 | 4 | 8 | 6.7 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| CHEMBL1830485 | 137786 | 0 | None | None | None | Human | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 805 | 20 | 4 | 8 | 6.7 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| 12733302 | 331171 | 0 | None | None | None | Guinea pig | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 249 | 3 | 2 | 4 | 2.0 | CC(C)(C)NCC(O)C1=COc2ccccc2O1 | 10.1021/jm00140a015 | ||
| CHEMBL427310 | 331171 | 0 | None | None | None | Guinea pig | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 249 | 3 | 2 | 4 | 2.0 | CC(C)(C)NCC(O)C1=COc2ccccc2O1 | 10.1021/jm00140a015 | ||
| 2303 | 6476 | 48 | None | None | None | Guinea pig | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00140a015 | ||
| 4946 | 6476 | 48 | None | None | None | Guinea pig | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00140a015 | ||
| 564 | 6476 | 48 | None | None | None | Guinea pig | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00140a015 | ||
| 63 | 6476 | 48 | None | None | None | Guinea pig | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00140a015 | ||
| 91536 | 6476 | 48 | None | None | None | Guinea pig | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00140a015 | ||
| CHEMBL27 | 6476 | 48 | None | None | None | Guinea pig | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00140a015 | ||
| CHEMBL452861 | 6476 | 48 | None | None | None | Guinea pig | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00140a015 | ||
| DB00571 | 6476 | 48 | None | None | None | Guinea pig | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00140a015 | ||
| 12606702 | 26285 | 0 | None | None | None | Guinea pig | 5.1 | pKd | = | 5.1 | Functional | ChEMBL | 242 | 5 | 2 | 4 | 2.1 | CC(C)(C)NCC(O)CON=C1CCCCC1 | 10.1021/jm00380a001 | ||
| CHEMBL1183312 | 26285 | 0 | None | None | None | Guinea pig | 5.1 | pKd | = | 5.1 | Functional | ChEMBL | 242 | 5 | 2 | 4 | 2.1 | CC(C)(C)NCC(O)CON=C1CCCCC1 | 10.1021/jm00380a001 | ||
| 3486 | 6418 | 47 | None | None | None | Guinea pig | 5.1 | pKd | = | 5.1 | Functional | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00389a008 | ||
| 4883 | 6418 | 47 | None | None | None | Guinea pig | 5.1 | pKd | = | 5.1 | Functional | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00389a008 | ||
| 555 | 6418 | 47 | None | None | None | Guinea pig | 5.1 | pKd | = | 5.1 | Functional | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00389a008 | ||
| CHEMBL6995 | 6418 | 47 | None | None | None | Guinea pig | 5.1 | pKd | = | 5.1 | Functional | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00389a008 | ||
| DB01297 | 6418 | 47 | None | None | None | Guinea pig | 5.1 | pKd | = | 5.1 | Functional | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00389a008 | ||
| 12606703 | 27838 | 0 | None | None | None | Guinea pig | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 276 | 8 | 2 | 4 | 2.5 | CC(/C=C/c1ccccc1)=N\OCC(O)CNC(C)C | 10.1021/jm00180a007 | ||
| CHEMBL1194069 | 27838 | 0 | None | None | None | Guinea pig | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 276 | 8 | 2 | 4 | 2.5 | CC(/C=C/c1ccccc1)=N\OCC(O)CNC(C)C | 10.1021/jm00180a007 | ||
| 3047492 | 468929 | 4 | None | None | None | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 293 | 10 | 2 | 4 | 2.4 | CC(C)NCC(O)COc1ccc(COCC2CC2)cc1 | 10.1021/jm00389a008 | ||
| CHEMBL6939 | 468929 | 4 | None | None | None | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 293 | 10 | 2 | 4 | 2.4 | CC(C)NCC(O)COc1ccc(COCC2CC2)cc1 | 10.1021/jm00389a008 | ||
| 3047492 | 468929 | 4 | None | None | None | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 293 | 10 | 2 | 4 | 2.4 | CC(C)NCC(O)COc1ccc(COCC2CC2)cc1 | 10.1021/jm00389a008 | ||
| CHEMBL6939 | 468929 | 4 | None | None | None | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 293 | 10 | 2 | 4 | 2.4 | CC(C)NCC(O)COc1ccc(COCC2CC2)cc1 | 10.1021/jm00389a008 | ||
| 54758417 | 137786 | 0 | None | None | None | Human | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 805 | 20 | 4 | 8 | 6.7 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| CHEMBL1830485 | 137786 | 0 | None | None | None | Human | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 805 | 20 | 4 | 8 | 6.7 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| 110857 | 26488 | 52 | None | None | None | Guinea pig | 4.0 | pKd | = | 4.0 | Functional | ChEMBL | 133 | 4 | 3 | 3 | -0.7 | CC(C)NCC(O)CO | 10.1021/jm00180a007 | ||
| CHEMBL1184370 | 26488 | 52 | None | None | None | Guinea pig | 4.0 | pKd | = | 4.0 | Functional | ChEMBL | 133 | 4 | 3 | 3 | -0.7 | CC(C)NCC(O)CO | 10.1021/jm00180a007 | ||
| 44264446 | 25357 | 0 | None | None | None | Rat | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 335 | 12 | 2 | 4 | 3.2 | CC(C)NCC(O)COc1ccc(CCCOCC2CCC2)cc1 | 10.1021/jm00389a008 | ||
| CHEMBL1177932 | 25357 | 0 | None | None | None | Rat | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 335 | 12 | 2 | 4 | 3.2 | CC(C)NCC(O)COc1ccc(CCCOCC2CCC2)cc1 | 10.1021/jm00389a008 | ||
| 44287467 | 25503 | 0 | None | None | None | Guinea pig | 6.0 | pKd | = | 6.0 | Functional | ChEMBL | 216 | 8 | 2 | 4 | 1.5 | CCC(CC)=NOCC(O)CNC(C)C | 10.1021/jm00380a001 | ||
| CHEMBL1178777 | 25503 | 0 | None | None | None | Guinea pig | 6.0 | pKd | = | 6.0 | Functional | ChEMBL | 216 | 8 | 2 | 4 | 1.5 | CCC(CC)=NOCC(O)CNC(C)C | 10.1021/jm00380a001 | ||
| 3047497 | 27654 | 4 | None | None | None | Guinea pig | 6.0 | pKd | = | 6.0 | Functional | ChEMBL | 321 | 11 | 2 | 4 | 2.8 | CC(C)NCC(O)COc1ccc(CCOCC2CCC2)cc1 | 10.1021/jm00389a008 | ||
| CHEMBL1192675 | 27654 | 4 | None | None | None | Guinea pig | 6.0 | pKd | = | 6.0 | Functional | ChEMBL | 321 | 11 | 2 | 4 | 2.8 | CC(C)NCC(O)COc1ccc(CCOCC2CCC2)cc1 | 10.1021/jm00389a008 | ||
| 44276727 | 197624 | 0 | None | None | None | Guinea pig | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 263 | 6 | 2 | 3 | 2.2 | Cc1ccc(OCC(O)CNC(C)C)c2c1CCC2 | 10.1021/jm00350a009 | ||
| CHEMBL26917 | 197624 | 0 | None | None | None | Guinea pig | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 263 | 6 | 2 | 3 | 2.2 | Cc1ccc(OCC(O)CNC(C)C)c2c1CCC2 | 10.1021/jm00350a009 | ||
| 12606685 | 25943 | 0 | None | None | None | Guinea pig | 6.0 | pKd | = | 6.0 | Functional | ChEMBL | 189 | 7 | 2 | 3 | 1.0 | CC(C)COCC(O)CNC(C)C | 10.1021/jm00180a007 | ||
| CHEMBL1181117 | 25943 | 0 | None | None | None | Guinea pig | 6.0 | pKd | = | 6.0 | Functional | ChEMBL | 189 | 7 | 2 | 3 | 1.0 | CC(C)COCC(O)CNC(C)C | 10.1021/jm00180a007 | ||
| 132 | 2632 | 14 | None | None | None | Rat | 10.4 | pKi | = | 10.4 | Functional | ChEMBL | 287 | 5 | 3 | 4 | 2.2 | N#Cc1[nH]c2c(c1)c(OCC(CNC(C)(C)C)O)ccc2 | 10.1021/jm050624l | ||
| 155346 | 2632 | 14 | None | None | None | Rat | 10.4 | pKi | = | 10.4 | Functional | ChEMBL | 287 | 5 | 3 | 4 | 2.2 | N#Cc1[nH]c2c(c1)c(OCC(CNC(C)(C)C)O)ccc2 | 10.1021/jm050624l | ||
| CHEMBL378501 | 2632 | 14 | None | None | None | Rat | 10.4 | pKi | = | 10.4 | Functional | ChEMBL | 287 | 5 | 3 | 4 | 2.2 | N#Cc1[nH]c2c(c1)c(OCC(CNC(C)(C)C)O)ccc2 | 10.1021/jm050624l | ||
| 132 | 2632 | 14 | None | None | None | Rat | 10.3 | pKi | = | 10.3 | Functional | ChEMBL | 287 | 5 | 3 | 4 | 2.2 | N#Cc1[nH]c2c(c1)c(OCC(CNC(C)(C)C)O)ccc2 | 10.1021/jm050624l | ||
| 155346 | 2632 | 14 | None | None | None | Rat | 10.3 | pKi | = | 10.3 | Functional | ChEMBL | 287 | 5 | 3 | 4 | 2.2 | N#Cc1[nH]c2c(c1)c(OCC(CNC(C)(C)C)O)ccc2 | 10.1021/jm050624l | ||
| CHEMBL378501 | 2632 | 14 | None | None | None | Rat | 10.3 | pKi | = | 10.3 | Functional | ChEMBL | 287 | 5 | 3 | 4 | 2.2 | N#Cc1[nH]c2c(c1)c(OCC(CNC(C)(C)C)O)ccc2 | 10.1021/jm050624l | ||
| 132 | 2632 | 14 | None | None | None | Rat | 9.9 | pKi | = | 9.9 | Functional | ChEMBL | 287 | 5 | 3 | 4 | 2.2 | N#Cc1[nH]c2c(c1)c(OCC(CNC(C)(C)C)O)ccc2 | 10.1021/jm050624l | ||
| 155346 | 2632 | 14 | None | None | None | Rat | 9.9 | pKi | = | 9.9 | Functional | ChEMBL | 287 | 5 | 3 | 4 | 2.2 | N#Cc1[nH]c2c(c1)c(OCC(CNC(C)(C)C)O)ccc2 | 10.1021/jm050624l | ||
| CHEMBL378501 | 2632 | 14 | None | None | None | Rat | 9.9 | pKi | = | 9.9 | Functional | ChEMBL | 287 | 5 | 3 | 4 | 2.2 | N#Cc1[nH]c2c(c1)c(OCC(CNC(C)(C)C)O)ccc2 | 10.1021/jm050624l | ||
| 132 | 2632 | 14 | None | None | None | Rat | 9.5 | pKi | = | 9.5 | Functional | ChEMBL | 287 | 5 | 3 | 4 | 2.2 | N#Cc1[nH]c2c(c1)c(OCC(CNC(C)(C)C)O)ccc2 | 10.1021/jm050624l | ||
| 155346 | 2632 | 14 | None | None | None | Rat | 9.5 | pKi | = | 9.5 | Functional | ChEMBL | 287 | 5 | 3 | 4 | 2.2 | N#Cc1[nH]c2c(c1)c(OCC(CNC(C)(C)C)O)ccc2 | 10.1021/jm050624l | ||
| CHEMBL378501 | 2632 | 14 | None | None | None | Rat | 9.5 | pKi | = | 9.5 | Functional | ChEMBL | 287 | 5 | 3 | 4 | 2.2 | N#Cc1[nH]c2c(c1)c(OCC(CNC(C)(C)C)O)ccc2 | 10.1021/jm050624l | ||
| 2685 | 1837 | 22 | None | None | None | Rat | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/jm050624l | ||
| 541 | 1837 | 22 | None | None | None | Rat | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/jm050624l | ||
| CHEMBL280822 | 1837 | 22 | None | None | None | Rat | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/jm050624l | ||
| 2685 | 1837 | 22 | None | None | None | Rat | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/jm050624l | ||
| 541 | 1837 | 22 | None | None | None | Rat | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/jm050624l | ||
| CHEMBL280822 | 1837 | 22 | None | None | None | Rat | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/jm050624l | ||
| 2303 | 6476 | 48 | None | None | None | Rat | 8.0 | pKi | = | 8 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
| 4946 | 6476 | 48 | None | None | None | Rat | 8.0 | pKi | = | 8 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
| 564 | 6476 | 48 | None | None | None | Rat | 8.0 | pKi | = | 8 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
| 63 | 6476 | 48 | None | None | None | Rat | 8.0 | pKi | = | 8 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
| 91536 | 6476 | 48 | None | None | None | Rat | 8.0 | pKi | = | 8 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
| CHEMBL27 | 6476 | 48 | None | None | None | Rat | 8.0 | pKi | = | 8 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
| CHEMBL452861 | 6476 | 48 | None | None | None | Rat | 8.0 | pKi | = | 8 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
| DB00571 | 6476 | 48 | None | None | None | Rat | 8.0 | pKi | = | 8 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
| 5311116 | 4758 | 10 | None | None | None | Rat | 7.0 | pKi | = | 7 | Functional | ChEMBL | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10.1021/jm050624l | ||
| 544 | 4758 | 10 | None | None | None | Rat | 7.0 | pKi | = | 7 | Functional | ChEMBL | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10.1021/jm050624l | ||
| CHEMBL207802 | 4758 | 10 | None | None | None | Rat | 7.0 | pKi | = | 7 | Functional | ChEMBL | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10.1021/jm050624l | ||
| 9909993 | 158925 | 0 | None | None | None | Rat | 7.0 | pKi | = | 7 | Functional | ChEMBL | 419 | 15 | 2 | 7 | 2.7 | CCOCCOc1ccc(OC[C@@H](O)CNCCc2ccc(OC)c(OC)c2)cc1 | 10.1021/jm050624l | ||
| CHEMBL208185 | 158925 | 0 | None | None | None | Rat | 7.0 | pKi | = | 7 | Functional | ChEMBL | 419 | 15 | 2 | 7 | 2.7 | CCOCCOc1ccc(OC[C@@H](O)CNCCc2ccc(OC)c(OC)c2)cc1 | 10.1021/jm050624l | ||
| 2685 | 1837 | 22 | None | None | None | Rat | 5.0 | pKi | = | 5 | Functional | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/jm050624l | ||
| 541 | 1837 | 22 | None | None | None | Rat | 5.0 | pKi | = | 5 | Functional | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/jm050624l | ||
| CHEMBL280822 | 1837 | 22 | None | None | None | Rat | 5.0 | pKi | = | 5 | Functional | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/jm050624l | ||
| 9909993 | 158925 | 0 | None | None | None | Rat | 4.9 | pKi | = | 4.9 | Functional | ChEMBL | 419 | 15 | 2 | 7 | 2.7 | CCOCCOc1ccc(OC[C@@H](O)CNCCc2ccc(OC)c(OC)c2)cc1 | 10.1021/jm050624l | ||
| CHEMBL208185 | 158925 | 0 | None | None | None | Rat | 4.9 | pKi | = | 4.9 | Functional | ChEMBL | 419 | 15 | 2 | 7 | 2.7 | CCOCCOc1ccc(OC[C@@H](O)CNCCc2ccc(OC)c(OC)c2)cc1 | 10.1021/jm050624l | ||
| 33624 | 8322 | 24 | None | None | None | Rat | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm050624l | ||
| 4061 | 8322 | 24 | None | None | None | Rat | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm050624l | ||
| 565 | 8322 | 24 | None | None | None | Rat | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm050624l | ||
| CHEMBL499 | 8322 | 24 | None | None | None | Rat | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm050624l | ||
| DB00373 | 8322 | 24 | None | None | None | Rat | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm050624l | ||
| 2303 | 6476 | 48 | None | None | None | Rat | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
| 4946 | 6476 | 48 | None | None | None | Rat | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
| 564 | 6476 | 48 | None | None | None | Rat | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
| 63 | 6476 | 48 | None | None | None | Rat | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
| 91536 | 6476 | 48 | None | None | None | Rat | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
| CHEMBL27 | 6476 | 48 | None | None | None | Rat | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
| CHEMBL452861 | 6476 | 48 | None | None | None | Rat | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
| DB00571 | 6476 | 48 | None | None | None | Rat | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
| 1786 | 5120 | 49 | None | None | None | Rat | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm050624l | ||
| 4171 | 5120 | 49 | None | None | None | Rat | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm050624l | ||
| 553 | 5120 | 49 | None | None | None | Rat | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm050624l | ||
| CHEMBL13 | 5120 | 49 | None | None | None | Rat | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm050624l | ||
| DB00264 | 5120 | 49 | None | None | None | Rat | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm050624l | ||
| 1786 | 5120 | 49 | None | None | None | Rat | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm050624l | ||
| 4171 | 5120 | 49 | None | None | None | Rat | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm050624l | ||
| 553 | 5120 | 49 | None | None | None | Rat | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm050624l | ||
| CHEMBL13 | 5120 | 49 | None | None | None | Rat | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm050624l | ||
| DB00264 | 5120 | 49 | None | None | None | Rat | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm050624l | ||
| 2303 | 6476 | 48 | None | None | None | Rat | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
| 4946 | 6476 | 48 | None | None | None | Rat | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
| 564 | 6476 | 48 | None | None | None | Rat | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
| 63 | 6476 | 48 | None | None | None | Rat | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
| 91536 | 6476 | 48 | None | None | None | Rat | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
| CHEMBL27 | 6476 | 48 | None | None | None | Rat | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
| CHEMBL452861 | 6476 | 48 | None | None | None | Rat | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
| DB00571 | 6476 | 48 | None | None | None | Rat | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
| 33624 | 8322 | 24 | None | None | None | Rat | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm050624l | ||
| 4061 | 8322 | 24 | None | None | None | Rat | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm050624l | ||
| 565 | 8322 | 24 | None | None | None | Rat | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm050624l | ||
| CHEMBL499 | 8322 | 24 | None | None | None | Rat | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm050624l | ||
| DB00373 | 8322 | 24 | None | None | None | Rat | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm050624l | ||
| 33624 | 8322 | 24 | None | None | None | Rat | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm050624l | ||
| 4061 | 8322 | 24 | None | None | None | Rat | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm050624l | ||
| 565 | 8322 | 24 | None | None | None | Rat | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm050624l | ||
| CHEMBL499 | 8322 | 24 | None | None | None | Rat | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm050624l | ||
| DB00373 | 8322 | 24 | None | None | None | Rat | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm050624l | ||
| 2303 | 6476 | 48 | None | None | None | Rat | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
| 4946 | 6476 | 48 | None | None | None | Rat | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
| 564 | 6476 | 48 | None | None | None | Rat | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
| 63 | 6476 | 48 | None | None | None | Rat | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
| 91536 | 6476 | 48 | None | None | None | Rat | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
| CHEMBL27 | 6476 | 48 | None | None | None | Rat | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
| CHEMBL452861 | 6476 | 48 | None | None | None | Rat | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
| DB00571 | 6476 | 48 | None | None | None | Rat | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
| 132 | 2632 | 14 | None | None | None | Rat | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 287 | 5 | 3 | 4 | 2.2 | N#Cc1[nH]c2c(c1)c(OCC(CNC(C)(C)C)O)ccc2 | 10.1021/jm050624l | ||
| 155346 | 2632 | 14 | None | None | None | Rat | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 287 | 5 | 3 | 4 | 2.2 | N#Cc1[nH]c2c(c1)c(OCC(CNC(C)(C)C)O)ccc2 | 10.1021/jm050624l | ||
| CHEMBL378501 | 2632 | 14 | None | None | None | Rat | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 287 | 5 | 3 | 4 | 2.2 | N#Cc1[nH]c2c(c1)c(OCC(CNC(C)(C)C)O)ccc2 | 10.1021/jm050624l | ||
| 2303 | 6476 | 48 | None | None | None | Rat | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
| 4946 | 6476 | 48 | None | None | None | Rat | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
| 564 | 6476 | 48 | None | None | None | Rat | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
| 63 | 6476 | 48 | None | None | None | Rat | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
| 91536 | 6476 | 48 | None | None | None | Rat | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
| CHEMBL27 | 6476 | 48 | None | None | None | Rat | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
| CHEMBL452861 | 6476 | 48 | None | None | None | Rat | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
| DB00571 | 6476 | 48 | None | None | None | Rat | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm050624l | ||
| 1786 | 5120 | 49 | None | None | None | Rat | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm050624l | ||
| 4171 | 5120 | 49 | None | None | None | Rat | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm050624l | ||
| 553 | 5120 | 49 | None | None | None | Rat | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm050624l | ||
| CHEMBL13 | 5120 | 49 | None | None | None | Rat | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm050624l | ||
| DB00264 | 5120 | 49 | None | None | None | Rat | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm050624l | ||
| 9909993 | 158925 | 0 | None | None | None | Rat | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 419 | 15 | 2 | 7 | 2.7 | CCOCCOc1ccc(OC[C@@H](O)CNCCc2ccc(OC)c(OC)c2)cc1 | 10.1021/jm050624l | ||
| CHEMBL208185 | 158925 | 0 | None | None | None | Rat | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 419 | 15 | 2 | 7 | 2.7 | CCOCCOc1ccc(OC[C@@H](O)CNCCc2ccc(OC)c(OC)c2)cc1 | 10.1021/jm050624l | ||
| 1786 | 5120 | 49 | None | None | None | Rat | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm050624l | ||
| 4171 | 5120 | 49 | None | None | None | Rat | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm050624l | ||
| 553 | 5120 | 49 | None | None | None | Rat | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm050624l | ||
| CHEMBL13 | 5120 | 49 | None | None | None | Rat | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm050624l | ||
| DB00264 | 5120 | 49 | None | None | None | Rat | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm050624l | ||
| 5311116 | 4758 | 10 | None | None | None | Rat | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10.1021/jm050624l | ||
| 544 | 4758 | 10 | None | None | None | Rat | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10.1021/jm050624l | ||
| CHEMBL207802 | 4758 | 10 | None | None | None | Rat | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10.1021/jm050624l | ||
| 1786 | 5120 | 49 | None | None | None | Rat | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm050624l | ||
| 4171 | 5120 | 49 | None | None | None | Rat | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm050624l | ||
| 553 | 5120 | 49 | None | None | None | Rat | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm050624l | ||
| CHEMBL13 | 5120 | 49 | None | None | None | Rat | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm050624l | ||
| DB00264 | 5120 | 49 | None | None | None | Rat | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm050624l | ||
| 33624 | 8322 | 24 | None | None | None | Rat | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm050624l | ||
| 4061 | 8322 | 24 | None | None | None | Rat | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm050624l | ||
| 565 | 8322 | 24 | None | None | None | Rat | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm050624l | ||
| CHEMBL499 | 8322 | 24 | None | None | None | Rat | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm050624l | ||
| DB00373 | 8322 | 24 | None | None | None | Rat | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm050624l | ||
| 44331346 | 475209 | 0 | None | None | None | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 638 | 17 | 5 | 8 | 4.2 | CCCCCCCCC(=O)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1 | 10.1016/s0960-894x(02)00608-x | ||
| CHEMBL99599 | 475209 | 0 | None | None | None | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 638 | 17 | 5 | 8 | 4.2 | CCCCCCCCC(=O)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1 | 10.1016/s0960-894x(02)00608-x | ||
| 2685 | 1837 | 22 | None | None | None | Rat | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/jm050624l | ||
| 541 | 1837 | 22 | None | None | None | Rat | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/jm050624l | ||
| CHEMBL280822 | 1837 | 22 | None | None | None | Rat | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/jm050624l | ||
| 33624 | 8322 | 24 | None | None | None | Rat | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm050624l | ||
| 4061 | 8322 | 24 | None | None | None | Rat | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm050624l | ||
| 565 | 8322 | 24 | None | None | None | Rat | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm050624l | ||
| CHEMBL499 | 8322 | 24 | None | None | None | Rat | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm050624l | ||
| DB00373 | 8322 | 24 | None | None | None | Rat | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm050624l | ||
| 5311116 | 4758 | 10 | None | None | None | Rat | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10.1021/jm050624l | ||
| 544 | 4758 | 10 | None | None | None | Rat | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10.1021/jm050624l | ||
| CHEMBL207802 | 4758 | 10 | None | None | None | Rat | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10.1021/jm050624l | ||
| 9909993 | 158925 | 0 | None | None | None | Rat | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 419 | 15 | 2 | 7 | 2.7 | CCOCCOc1ccc(OC[C@@H](O)CNCCc2ccc(OC)c(OC)c2)cc1 | 10.1021/jm050624l | ||
| CHEMBL208185 | 158925 | 0 | None | None | None | Rat | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 419 | 15 | 2 | 7 | 2.7 | CCOCCOc1ccc(OC[C@@H](O)CNCCc2ccc(OC)c(OC)c2)cc1 | 10.1021/jm050624l | ||
| 5311116 | 4758 | 10 | None | None | None | Rat | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10.1021/jm050624l | ||
| 544 | 4758 | 10 | None | None | None | Rat | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10.1021/jm050624l | ||
| CHEMBL207802 | 4758 | 10 | None | None | None | Rat | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10.1021/jm050624l | ||
| 2685 | 1837 | 22 | None | None | None | Rat | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/jm050624l | ||
| 541 | 1837 | 22 | None | None | None | Rat | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/jm050624l | ||
| CHEMBL280822 | 1837 | 22 | None | None | None | Rat | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/jm050624l | ||
| 9909993 | 158925 | 0 | None | None | None | Rat | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 419 | 15 | 2 | 7 | 2.7 | CCOCCOc1ccc(OC[C@@H](O)CNCCc2ccc(OC)c(OC)c2)cc1 | 10.1021/jm050624l | ||
| CHEMBL208185 | 158925 | 0 | None | None | None | Rat | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 419 | 15 | 2 | 7 | 2.7 | CCOCCOc1ccc(OC[C@@H](O)CNCCc2ccc(OC)c(OC)c2)cc1 | 10.1021/jm050624l | ||
| 5311116 | 4758 | 10 | None | None | None | Rat | 4.1 | pKi | = | 4.1 | Functional | ChEMBL | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10.1021/jm050624l | ||
| 544 | 4758 | 10 | None | None | None | Rat | 4.1 | pKi | = | 4.1 | Functional | ChEMBL | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10.1021/jm050624l | ||
| CHEMBL207802 | 4758 | 10 | None | None | None | Rat | 4.1 | pKi | = | 4.1 | Functional | ChEMBL | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10.1021/jm050624l | ||
| 1658 | 509450 | 0 | None | None | None | Human | 7.8 | pA2 | = | 7.8 | Functional | Drug Central | 372 | 8 | 4 | 6 | 1.9 | CC(CCC1=CC2=C(OCO2)C=C1)NCC(O)C1=CC(C(N)=O)=C(O)C=C1 | None | ||
| 2249 | 1058 | 67 | None | None | None | Rat | 6.8 | pA2 | = | 6.8 | Functional | Guide to Pharmacology | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 31837330 | ||
| 255 | 1058 | 67 | None | None | None | Rat | 6.8 | pA2 | = | 6.8 | Functional | Guide to Pharmacology | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 31837330 | ||
| 548 | 1058 | 67 | None | None | None | Rat | 6.8 | pA2 | = | 6.8 | Functional | Guide to Pharmacology | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 31837330 | ||
| CHEMBL24 | 1058 | 67 | None | None | None | Rat | 6.8 | pA2 | = | 6.8 | Functional | Guide to Pharmacology | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 31837330 | ||
| DB00335 | 1058 | 67 | None | None | None | Rat | 6.8 | pA2 | = | 6.8 | Functional | Guide to Pharmacology | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 31837330 | ||
| 2475 | 1528 | 0 | None | None | None | Rat | 9.0 | pA2 | = | 9 | Functional | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 31837330 | ||
| 433 | 1528 | 0 | None | None | None | Rat | 9.0 | pA2 | = | 9 | Functional | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 31837330 | ||
| 550 | 1528 | 0 | None | None | None | Rat | 9.0 | pA2 | = | 9 | Functional | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 31837330 | ||
| CHEMBL305380 | 1528 | 0 | None | None | None | Rat | 9.0 | pA2 | = | 9 | Functional | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 31837330 | ||
| DB08808 | 1528 | 0 | None | None | None | Rat | 9.0 | pA2 | = | 9 | Functional | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 31837330 | ||
| 36811 | 2998 | 34 | None | -4 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | None | ||
| 535 | 2998 | 34 | None | -4 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | None | ||
| 937 | 2998 | 34 | None | -4 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | None | ||
| CHEMBL926 | 2998 | 34 | None | -4 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | None | ||
| DB00841 | 2998 | 34 | None | -4 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | None | ||
| 10184665 | 8655 | 40 | None | -44 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | None | ||
| 4799 | 8655 | 40 | None | -44 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | None | ||
| 7353 | 8655 | 40 | None | -44 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | None | ||
| CHEMBL1198857 | 8655 | 40 | None | -44 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | None | ||
| DB09082 | 8655 | 40 | None | -44 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | None | ||
| 2723 | 123170 | 6 | None | -20 | 5 | Guinea pig | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 345 | 5 | 3 | 6 | 2.6 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | None | ||
| 65772 | 123170 | 6 | None | -20 | 5 | Guinea pig | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 345 | 5 | 3 | 6 | 2.6 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | None | ||
| CHEMBL174984 | 123170 | 6 | None | -20 | 5 | Guinea pig | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 345 | 5 | 3 | 6 | 2.6 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | None | ||
| DB13692 | 123170 | 6 | None | -20 | 5 | Guinea pig | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 345 | 5 | 3 | 6 | 2.6 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | None | ||
| 2388 | 18486 | 20 | None | -1 | 7 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | None | ||
| 443372 | 18486 | 20 | None | -1 | 7 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | None | ||
| CHEMBL1160723 | 18486 | 20 | None | -1 | 7 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | None | ||
| 1499 | 4274 | 42 | None | 2 | 31 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| 3779 | 4274 | 42 | None | 2 | 31 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| 536 | 4274 | 42 | None | 2 | 31 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| CHEMBL434 | 4274 | 42 | None | 2 | 31 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| DB01064 | 4274 | 42 | None | 2 | 31 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| 12065 | 1298 | 32 | None | -6 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | Guide to Pharmacology | 370 | 6 | 4 | 5 | 2.7 | Cc1ccccc1CC(C)(C)NCC(c1c2c(c(cc1)O)NC(=O)CO2)O | 19875286 | ||
| 12065 | 1298 | 32 | None | -6 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | Guide to Pharmacology | 370 | 6 | 4 | 5 | 2.7 | Cc1ccccc1CC(C)(C)NCC(c1c2c(c(cc1)O)NC(=O)CO2)O | 33093660 | ||
| 45483813 | 1298 | 32 | None | -6 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | Guide to Pharmacology | 370 | 6 | 4 | 5 | 2.7 | Cc1ccccc1CC(C)(C)NCC(c1c2c(c(cc1)O)NC(=O)CO2)O | 19875286 | ||
| 45483813 | 1298 | 32 | None | -6 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | Guide to Pharmacology | 370 | 6 | 4 | 5 | 2.7 | Cc1ccccc1CC(C)(C)NCC(c1c2c(c(cc1)O)NC(=O)CO2)O | 33093660 | ||
| CHEMBL579394 | 1298 | 32 | None | -6 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | Guide to Pharmacology | 370 | 6 | 4 | 5 | 2.7 | Cc1ccccc1CC(C)(C)NCC(c1c2c(c(cc1)O)NC(=O)CO2)O | 19875286 | ||
| CHEMBL579394 | 1298 | 32 | None | -6 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | Guide to Pharmacology | 370 | 6 | 4 | 5 | 2.7 | Cc1ccccc1CC(C)(C)NCC(c1c2c(c(cc1)O)NC(=O)CO2)O | 33093660 | ||
| 9512 | 7386 | 37 | None | -1202 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | Guide to Pharmacology | 410 | 9 | 4 | 4 | 4.4 | Clc1cccc(c1)[C@H](CNCCNc1cccc(c1)c1cccc(c1)C(=O)O)O | 16640337 | ||
| 9887812 | 7386 | 37 | None | -1202 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | Guide to Pharmacology | 410 | 9 | 4 | 4 | 4.4 | Clc1cccc(c1)[C@H](CNCCNc1cccc(c1)c1cccc(c1)C(=O)O)O | 16640337 | ||
| CHEMBL208427 | 7386 | 37 | None | -1202 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | Guide to Pharmacology | 410 | 9 | 4 | 4 | 4.4 | Clc1cccc(c1)[C@H](CNCCNc1cccc(c1)c1cccc(c1)C(=O)O)O | 16640337 | ||
| DB06190 | 7386 | 37 | None | -1202 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | Guide to Pharmacology | 410 | 9 | 4 | 4 | 4.4 | Clc1cccc(c1)[C@H](CNCCNc1cccc(c1)c1cccc(c1)C(=O)O)O | 16640337 | ||
| 2598 | 8237 | 41 | None | -3 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | Guide to Pharmacology | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | 20590599 | ||
| 5403 | 8237 | 41 | None | -3 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | Guide to Pharmacology | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | 20590599 | ||
| 560 | 8237 | 41 | None | -3 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | Guide to Pharmacology | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | 20590599 | ||
| CHEMBL1760 | 8237 | 41 | None | -3 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | Guide to Pharmacology | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | 20590599 | ||
| DB00871 | 8237 | 41 | None | -3 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | Guide to Pharmacology | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | 20590599 | ||
| 123600 | 4712 | 0 | None | -2 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | Guide to Pharmacology | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 20590599 | ||
| 1575 | 4712 | 0 | None | -2 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | Guide to Pharmacology | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 20590599 | ||
| 9816 | 4712 | 0 | None | -2 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | Guide to Pharmacology | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 20590599 | ||
| CHEMBL1002 | 4712 | 0 | None | -2 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | Guide to Pharmacology | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 20590599 | ||
| DB13139 | 4712 | 0 | None | -2 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | Guide to Pharmacology | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 20590599 | ||
| 567 | 1496 | 16 | None | -173 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | Guide to Pharmacology | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 20590599 | ||
| 9841972 | 1496 | 16 | None | -173 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | Guide to Pharmacology | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 20590599 | ||
| CHEMBL284782 | 1496 | 16 | None | -173 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | Guide to Pharmacology | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 20590599 | ||
| 36811 | 2998 | 34 | None | -4 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | Guide to Pharmacology | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 20590599 | ||
| 535 | 2998 | 34 | None | -4 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | Guide to Pharmacology | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 20590599 | ||
| 937 | 2998 | 34 | None | -4 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | Guide to Pharmacology | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 20590599 | ||
| CHEMBL926 | 2998 | 34 | None | -4 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | Guide to Pharmacology | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 20590599 | ||
| DB00841 | 2998 | 34 | None | -4 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | Guide to Pharmacology | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 20590599 | ||
| 1155 | 3351 | 39 | None | -2 | 4 | Human | 7.5 | pEC50 | = | 7.5 | Functional | Guide to Pharmacology | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 20590599 | ||
| 3343 | 3351 | 39 | None | -2 | 4 | Human | 7.5 | pEC50 | = | 7.5 | Functional | Guide to Pharmacology | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 20590599 | ||
| 557 | 3351 | 39 | None | -2 | 4 | Human | 7.5 | pEC50 | = | 7.5 | Functional | Guide to Pharmacology | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 20590599 | ||
| CHEMBL32800 | 3351 | 39 | None | -2 | 4 | Human | 7.5 | pEC50 | = | 7.5 | Functional | Guide to Pharmacology | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 20590599 | ||
| DB01288 | 3351 | 39 | None | -2 | 4 | Human | 7.5 | pEC50 | = | 7.5 | Functional | Guide to Pharmacology | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 20590599 | ||
| 1028 | 599 | 43 | None | -15 | 11 | Human | 7.6 | pEC50 | = | 7.6 | Functional | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 20590599 | ||
| 479 | 599 | 43 | None | -15 | 11 | Human | 7.6 | pEC50 | = | 7.6 | Functional | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 20590599 | ||
| 5816 | 599 | 43 | None | -15 | 11 | Human | 7.6 | pEC50 | = | 7.6 | Functional | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 20590599 | ||
| CHEMBL679 | 599 | 43 | None | -15 | 11 | Human | 7.6 | pEC50 | = | 7.6 | Functional | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 20590599 | ||
| DB00668 | 599 | 43 | None | -15 | 11 | Human | 7.6 | pEC50 | = | 7.6 | Functional | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 20590599 | ||
| 5311064 | 2816 | 32 | None | None | None | Human | 7.7 | pEC50 | = | 7.7 | Functional | Guide to Pharmacology | 317 | 8 | 3 | 5 | 2.3 | COc1cc(CCNC[C@@H](c2ccc(cc2)O)O)ccc1OC | 20590599 | ||
| 534 | 2816 | 32 | None | None | None | Human | 7.7 | pEC50 | = | 7.7 | Functional | Guide to Pharmacology | 317 | 8 | 3 | 5 | 2.3 | COc1cc(CCNC[C@@H](c2ccc(cc2)O)O)ccc1OC | 20590599 | ||
| 806 | 2816 | 32 | None | None | None | Human | 7.7 | pEC50 | = | 7.7 | Functional | Guide to Pharmacology | 317 | 8 | 3 | 5 | 2.3 | COc1cc(CCNC[C@@H](c2ccc(cc2)O)O)ccc1OC | 20590599 | ||
| CHEMBL493682 | 2816 | 32 | None | None | None | Human | 7.7 | pEC50 | = | 7.7 | Functional | Guide to Pharmacology | 317 | 8 | 3 | 5 | 2.3 | COc1cc(CCNC[C@@H](c2ccc(cc2)O)O)ccc1OC | 20590599 | ||
| 1960 | 5823 | 49 | None | -19 | 15 | Human | 7.9 | pEC50 | = | 7.9 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 20590599 | ||
| 439260 | 5823 | 49 | None | -19 | 15 | Human | 7.9 | pEC50 | = | 7.9 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 20590599 | ||
| 505 | 5823 | 49 | None | -19 | 15 | Human | 7.9 | pEC50 | = | 7.9 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 20590599 | ||
| 6921840 | 5823 | 49 | None | -19 | 15 | Human | 7.9 | pEC50 | = | 7.9 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 20590599 | ||
| CHEMBL1437 | 5823 | 49 | None | -19 | 15 | Human | 7.9 | pEC50 | = | 7.9 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 20590599 | ||
| DB00368 | 5823 | 49 | None | -19 | 15 | Human | 7.9 | pEC50 | = | 7.9 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 20590599 | ||
| 1239 | 3447 | 41 | None | -67 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Guide to Pharmacology | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 20590599 | ||
| 3410 | 3447 | 41 | None | -67 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Guide to Pharmacology | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 20590599 | ||
| 3465 | 3447 | 41 | None | -67 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Guide to Pharmacology | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 20590599 | ||
| CHEMBL1256786 | 3447 | 41 | None | -67 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Guide to Pharmacology | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 20590599 | ||
| DB00983 | 3447 | 41 | None | -67 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Guide to Pharmacology | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 20590599 | ||
| 12578 | 1929 | 47 | None | 154 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | Guide to Pharmacology | 219 | 4 | 3 | 4 | 1.2 | CC(C)NCC(C1=CC(=C(C=C1)N)C#N)O | 20590599 | ||
| 2755 | 1929 | 47 | None | 154 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | Guide to Pharmacology | 219 | 4 | 3 | 4 | 1.2 | CC(C)NCC(C1=CC(=C(C=C1)N)C#N)O | 20590599 | ||
| CHEMBL1374751 | 1929 | 47 | None | 154 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | Guide to Pharmacology | 219 | 4 | 3 | 4 | 1.2 | CC(C)NCC(C1=CC(=C(C=C1)N)C#N)O | 20590599 | ||
| 1499 | 4274 | 42 | None | 2 | 31 | Human | 8.6 | pEC50 | = | 8.6 | Functional | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 20590599 | ||
| 3779 | 4274 | 42 | None | 2 | 31 | Human | 8.6 | pEC50 | = | 8.6 | Functional | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 20590599 | ||
| 536 | 4274 | 42 | None | 2 | 31 | Human | 8.6 | pEC50 | = | 8.6 | Functional | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 20590599 | ||
| CHEMBL434 | 4274 | 42 | None | 2 | 31 | Human | 8.6 | pEC50 | = | 8.6 | Functional | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 20590599 | ||
| DB01064 | 4274 | 42 | None | 2 | 31 | Human | 8.6 | pEC50 | = | 8.6 | Functional | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 20590599 | ||
| 12582 | 1957 | 29 | None | 1 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | Guide to Pharmacology | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 20590599 | ||
| 2783 | 1957 | 29 | None | 1 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | Guide to Pharmacology | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 20590599 | ||
| 673 | 1957 | 29 | None | 1 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | Guide to Pharmacology | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 20590599 | ||
| CHEMBL49080 | 1957 | 29 | None | 1 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | Guide to Pharmacology | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 20590599 | ||
| DB01407 | 1957 | 29 | None | 1 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | Guide to Pharmacology | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 20590599 | ||
| 4382 | 5162 | 60 | None | -1698 | 6 | Human | 5.0 | pEC50 | > | 5.0 | Functional | Guide to Pharmacology | 396 | 9 | 4 | 6 | 2.8 | O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O | 17293563 | ||
| 4382 | 5162 | 60 | None | -1698 | 6 | Human | 5.0 | pEC50 | > | 5.0 | Functional | Guide to Pharmacology | 396 | 9 | 4 | 6 | 2.8 | O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O | 32813332 | ||
| 7445 | 5162 | 60 | None | -1698 | 6 | Human | 5.0 | pEC50 | > | 5.0 | Functional | Guide to Pharmacology | 396 | 9 | 4 | 6 | 2.8 | O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O | 17293563 | ||
| 7445 | 5162 | 60 | None | -1698 | 6 | Human | 5.0 | pEC50 | > | 5.0 | Functional | Guide to Pharmacology | 396 | 9 | 4 | 6 | 2.8 | O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O | 32813332 | ||
| 9865528 | 5162 | 60 | None | -1698 | 6 | Human | 5.0 | pEC50 | > | 5.0 | Functional | Guide to Pharmacology | 396 | 9 | 4 | 6 | 2.8 | O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O | 17293563 | ||
| 9865528 | 5162 | 60 | None | -1698 | 6 | Human | 5.0 | pEC50 | > | 5.0 | Functional | Guide to Pharmacology | 396 | 9 | 4 | 6 | 2.8 | O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O | 32813332 | ||
| CHEMBL2095212 | 5162 | 60 | None | -1698 | 6 | Human | 5.0 | pEC50 | > | 5.0 | Functional | Guide to Pharmacology | 396 | 9 | 4 | 6 | 2.8 | O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O | 17293563 | ||
| CHEMBL2095212 | 5162 | 60 | None | -1698 | 6 | Human | 5.0 | pEC50 | > | 5.0 | Functional | Guide to Pharmacology | 396 | 9 | 4 | 6 | 2.8 | O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O | 32813332 | ||
| DB08893 | 5162 | 60 | None | -1698 | 6 | Human | 5.0 | pEC50 | > | 5.0 | Functional | Guide to Pharmacology | 396 | 9 | 4 | 6 | 2.8 | O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O | 17293563 | ||
| DB08893 | 5162 | 60 | None | -1698 | 6 | Human | 5.0 | pEC50 | > | 5.0 | Functional | Guide to Pharmacology | 396 | 9 | 4 | 6 | 2.8 | O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O | 32813332 | ||
| 176 | 823 | 54 | None | -10 | 31 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
| 2157 | 823 | 54 | None | -10 | 31 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
| 2566 | 823 | 54 | None | -10 | 31 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
| CHEMBL633 | 823 | 54 | None | -10 | 31 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
| DB01118 | 823 | 54 | None | -10 | 31 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
| 1499 | 4274 | 42 | None | -269 | 5 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| 3779 | 4274 | 42 | None | -269 | 5 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| 536 | 4274 | 42 | None | -269 | 5 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| CHEMBL434 | 4274 | 42 | None | -269 | 5 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| DB01064 | 4274 | 42 | None | -269 | 5 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| 321 | 2732 | 0 | None | -1 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | None | ||
| 444031 | 2732 | 0 | None | -1 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | None | ||
| 784 | 2732 | 0 | None | -1 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | None | ||
| CHEMBL1346 | 2732 | 0 | None | -1 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | None | ||
| DB00496 | 2732 | 0 | None | -1 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | None | ||
| Ligands (move mouse cursor over ligand name to see structure) | Receptor | Assay information | Chemical information | |||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sel. page | Similar- ity |
Common name |
GPCRdb ID |
#Vendors |
Reference ligand |
Fold selectivity |
# Tested GPCRs |
Species |
p-value (-log) |
Activity Type |
Activity Relation |
Activity Value |
Assay Type |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
| 9906822 | 309092 | 0 | None | None | None | Human | 9.9 | pEC50 | = | 9.9 | Binding | ChEMBL | 358 | 7 | 3 | 3 | 4.1 | COc1cccc2c(CC(C)NC[C@H](O)c3cccc(Cl)c3)c[nH]c12 | 10.1007/s00044-009-9257-x | |||
| CHEMBL416012 | 309092 | 0 | None | None | None | Human | 9.9 | pEC50 | = | 9.9 | Binding | ChEMBL | 358 | 7 | 3 | 3 | 4.1 | COc1cccc2c(CC(C)NC[C@H](O)c3cccc(Cl)c3)c[nH]c12 | 10.1007/s00044-009-9257-x | |||
| 44396736 | 139155 | 0 | None | None | None | Human | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 617 | 12 | 4 | 9 | 5.1 | C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3cccs3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1007/s00044-009-9257-x | |||
| CHEMBL186271 | 139155 | 0 | None | None | None | Human | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 617 | 12 | 4 | 9 | 5.1 | C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3cccs3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1007/s00044-009-9257-x | |||
| 44396715 | 139734 | 0 | None | None | None | Human | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 612 | 12 | 4 | 9 | 4.4 | C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3cccnc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1007/s00044-009-9257-x | |||
| CHEMBL189081 | 139734 | 0 | None | None | None | Human | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 612 | 12 | 4 | 9 | 4.4 | C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3cccnc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1007/s00044-009-9257-x | |||
| 2303 | 6476 | 48 | None | None | None | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/np058114h | |||
| 4946 | 6476 | 48 | None | None | None | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/np058114h | |||
| 564 | 6476 | 48 | None | None | None | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/np058114h | |||
| 63 | 6476 | 48 | None | None | None | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/np058114h | |||
| 91536 | 6476 | 48 | None | None | None | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/np058114h | |||
| CHEMBL27 | 6476 | 48 | None | None | None | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/np058114h | |||
| CHEMBL452861 | 6476 | 48 | None | None | None | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/np058114h | |||
| DB00571 | 6476 | 48 | None | None | None | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/np058114h | |||
| 9927453 | 197018 | 0 | None | None | None | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 328 | 6 | 3 | 2 | 4.1 | C[C@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(Cl)c1 | 10.1007/s00044-009-9257-x | |||
| CHEMBL26393 | 197018 | 0 | None | None | None | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 328 | 6 | 3 | 2 | 4.1 | C[C@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(Cl)c1 | 10.1007/s00044-009-9257-x | |||
| 44392457 | 330819 | 0 | None | None | None | Human | 8.0 | pEC50 | = | 8 | Binding | ChEMBL | 457 | 11 | 4 | 6 | 3.7 | C/C=C/CNc1cccc([C@@H](O)CN[C@H](C)Cc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1 | 10.1007/s00044-009-9257-x | |||
| CHEMBL425161 | 330819 | 0 | None | None | None | Human | 8.0 | pEC50 | = | 8 | Binding | ChEMBL | 457 | 11 | 4 | 6 | 3.7 | C/C=C/CNc1cccc([C@@H](O)CN[C@H](C)Cc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1 | 10.1007/s00044-009-9257-x | |||
| 44328703 | 24527 | 0 | None | None | None | Human | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 241 | 6 | 4 | 5 | 0.8 | CC(C)NC[C@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
| CHEMBL1160694 | 24527 | 0 | None | None | None | Human | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 241 | 6 | 4 | 5 | 0.8 | CC(C)NC[C@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
| 10347461 | 215956 | 0 | None | None | None | Human | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 547 | 18 | 4 | 7 | 4.8 | O=S(=O)(c1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1)C1CCCC1 | 10.1021/jm401532g | |||
| CHEMBL3139025 | 215956 | 0 | None | None | None | Human | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 547 | 18 | 4 | 7 | 4.8 | O=S(=O)(c1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1)C1CCCC1 | 10.1021/jm401532g | |||
| 146025803 | 346717 | 0 | None | None | None | Human | 5.0 | pEC50 | = | 5 | Binding | ChEMBL | 467 | 14 | 4 | 7 | 3.7 | COc1cc(CCNC[C@H](O)COc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | |||
| CHEMBL4593181 | 346717 | 0 | None | None | None | Human | 5.0 | pEC50 | = | 5 | Binding | ChEMBL | 467 | 14 | 4 | 7 | 3.7 | COc1cc(CCNC[C@H](O)COc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | |||
| 76333795 | 176265 | 0 | None | None | None | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 558 | 11 | 5 | 8 | 3.1 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccc(N)c2)c1 | 10.1007/s00044-009-9257-x | |||
| CHEMBL2260985 | 176265 | 0 | None | None | None | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 558 | 11 | 5 | 8 | 3.1 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccc(N)c2)c1 | 10.1007/s00044-009-9257-x | |||
| 10482960 | 216062 | 0 | None | None | None | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 561 | 18 | 4 | 7 | 5.1 | Cc1cc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc(S(=O)(=O)C2CCCC2)c1 | 10.1021/jm401532g | |||
| CHEMBL3139365 | 216062 | 0 | None | None | None | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 561 | 18 | 4 | 7 | 5.1 | Cc1cc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc(S(=O)(=O)C2CCCC2)c1 | 10.1021/jm401532g | |||
| 567 | 1496 | 16 | None | None | None | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1007/s00044-009-9257-x | |||
| 9841972 | 1496 | 16 | None | None | None | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1007/s00044-009-9257-x | |||
| CHEMBL284782 | 1496 | 16 | None | None | None | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1007/s00044-009-9257-x | |||
| 2723 | 123170 | 6 | None | None | None | Guinea pig | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 345 | 5 | 3 | 6 | 2.6 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | 10.1021/jm00081a007 | |||
| 65772 | 123170 | 6 | None | None | None | Guinea pig | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 345 | 5 | 3 | 6 | 2.6 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | 10.1021/jm00081a007 | |||
| CHEMBL174984 | 123170 | 6 | None | None | None | Guinea pig | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 345 | 5 | 3 | 6 | 2.6 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | 10.1021/jm00081a007 | |||
| DB13692 | 123170 | 6 | None | None | None | Guinea pig | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 345 | 5 | 3 | 6 | 2.6 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | 10.1021/jm00081a007 | |||
| 11432806 | 138490 | 0 | None | None | None | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 549 | 11 | 4 | 8 | 3.6 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1007/s00044-009-9257-x | |||
| CHEMBL184407 | 138490 | 0 | None | None | None | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 549 | 11 | 4 | 8 | 3.6 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1007/s00044-009-9257-x | |||
| 44396568 | 139569 | 0 | None | None | None | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 529 | 12 | 5 | 7 | 3.7 | C[C@H](Cc1c[nH]c2c(OCC(=O)O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1007/s00044-009-9257-x | |||
| CHEMBL188196 | 139569 | 0 | None | None | None | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 529 | 12 | 5 | 7 | 3.7 | C[C@H](Cc1c[nH]c2c(OCC(=O)O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1007/s00044-009-9257-x | |||
| 76315638 | 176266 | 0 | None | None | None | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 543 | 11 | 4 | 7 | 3.6 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 | 10.1007/s00044-009-9257-x | |||
| CHEMBL2260986 | 176266 | 0 | None | None | None | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 543 | 11 | 4 | 7 | 3.6 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 | 10.1007/s00044-009-9257-x | |||
| 2419 | 7043 | 56 | None | None | None | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.9b00349 | |||
| 5152 | 7043 | 56 | None | None | None | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.9b00349 | |||
| 559 | 7043 | 56 | None | None | None | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.9b00349 | |||
| CHEMBL1263 | 7043 | 56 | None | None | None | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.9b00349 | |||
| DB00938 | 7043 | 56 | None | None | None | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.9b00349 | |||
| 127046950 | 277339 | 0 | None | None | None | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 437 | 12 | 4 | 6 | 4.0 | COc1cc(CCNC[C@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | |||
| CHEMBL3800303 | 277339 | 0 | None | None | None | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 437 | 12 | 4 | 6 | 4.0 | COc1cc(CCNC[C@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | |||
| 11318107 | 216061 | 0 | None | None | None | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 505 | 16 | 4 | 7 | 3.4 | O=S1(=O)CCc2ccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)cc21 | 10.1021/jm401532g | |||
| CHEMBL3139364 | 216061 | 0 | None | None | None | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 505 | 16 | 4 | 7 | 3.4 | O=S1(=O)CCc2ccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)cc21 | 10.1021/jm401532g | |||
| 11318358 | 216102 | 0 | None | None | None | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 519 | 16 | 4 | 7 | 3.8 | O=S1(=O)CCCc2ccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)cc21 | 10.1021/jm401532g | |||
| CHEMBL3139613 | 216102 | 0 | None | None | None | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 519 | 16 | 4 | 7 | 3.8 | O=S1(=O)CCCc2ccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)cc21 | 10.1021/jm401532g | |||
| 10393774 | 239376 | 0 | None | None | None | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 598 | 14 | 5 | 9 | 2.1 | CCCCN(c1ccc(N2CCC(NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1)S(=O)(=O)CC(=O)O | 10.1021/jm000544b | |||
| CHEMBL35500 | 239376 | 0 | None | None | None | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 598 | 14 | 5 | 9 | 2.1 | CCCCN(c1ccc(N2CCC(NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1)S(=O)(=O)CC(=O)O | 10.1021/jm000544b | |||
| 44396532 | 139043 | 0 | None | None | None | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 455 | 9 | 4 | 5 | 4.3 | C[C@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1007/s00044-009-9257-x | |||
| CHEMBL185836 | 139043 | 0 | None | None | None | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 455 | 9 | 4 | 5 | 4.3 | C[C@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1007/s00044-009-9257-x | |||
| 164612037 | 368668 | 0 | None | None | None | Human | 4.7 | pEC50 | = | 4.7 | Binding | ChEMBL | 326 | 8 | 4 | 4 | 1.8 | CCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL4860528 | 368668 | 0 | None | None | None | Human | 4.7 | pEC50 | = | 4.7 | Binding | ChEMBL | 326 | 8 | 4 | 4 | 1.8 | CCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/acs.jmedchem.1c00692 | |||
| 76315640 | 176268 | 0 | None | None | None | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 575 | 12 | 3 | 7 | 5.8 | COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)cn(Cc3ccccc3)c12 | 10.1007/s00044-009-9257-x | |||
| CHEMBL2260988 | 176268 | 0 | None | None | None | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 575 | 12 | 3 | 7 | 5.8 | COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)cn(Cc3ccccc3)c12 | 10.1007/s00044-009-9257-x | |||
| 13720716 | 116571 | 0 | None | None | None | Guinea pig | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 363 | 5 | 3 | 6 | 2.7 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)c(F)c32)cc(OC)c1OC | 10.1021/jm00081a007 | |||
| CHEMBL1788251 | 116571 | 0 | None | None | None | Guinea pig | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 363 | 5 | 3 | 6 | 2.7 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)c(F)c32)cc(OC)c1OC | 10.1021/jm00081a007 | |||
| 2388 | 18486 | 20 | None | None | None | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
| 443372 | 18486 | 20 | None | None | None | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
| CHEMBL1160723 | 18486 | 20 | None | None | None | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
| 10370605 | 216103 | 0 | None | None | None | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 561 | 18 | 4 | 7 | 5.2 | O=S(=O)(c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)C1CCCCC1 | 10.1021/jm401532g | |||
| CHEMBL3139615 | 216103 | 0 | None | None | None | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 561 | 18 | 4 | 7 | 5.2 | O=S(=O)(c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)C1CCCCC1 | 10.1021/jm401532g | |||
| 146025803 | 346717 | 0 | None | None | None | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 467 | 14 | 4 | 7 | 3.7 | COc1cc(CCNC[C@H](O)COc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | |||
| CHEMBL4593181 | 346717 | 0 | None | None | None | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 467 | 14 | 4 | 7 | 3.7 | COc1cc(CCNC[C@H](O)COc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | |||
| 146025803 | 346717 | 0 | None | None | None | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 467 | 14 | 4 | 7 | 3.7 | COc1cc(CCNC[C@H](O)COc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | |||
| CHEMBL4593181 | 346717 | 0 | None | None | None | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 467 | 14 | 4 | 7 | 3.7 | COc1cc(CCNC[C@H](O)COc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | |||
| 15133335 | 78774 | 0 | None | None | None | Guinea pig | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 413 | 5 | 3 | 6 | 3.6 | COc1cc(CC2NCCc3c2cc(O)c(O)c3C(F)(F)F)cc(OC)c1OC | 10.1021/jm00081a007 | |||
| CHEMBL143645 | 78774 | 0 | None | None | None | Guinea pig | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 413 | 5 | 3 | 6 | 3.6 | COc1cc(CC2NCCc3c2cc(O)c(O)c3C(F)(F)F)cc(OC)c1OC | 10.1021/jm00081a007 | |||
| 15133334 | 237383 | 0 | None | None | None | Guinea pig | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 471 | 5 | 3 | 6 | 3.2 | COc1cc(CC2NCCc3cc(O)c(O)c(I)c32)cc(OC)c1OC | 10.1021/jm00081a007 | |||
| CHEMBL341654 | 237383 | 0 | None | None | None | Guinea pig | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 471 | 5 | 3 | 6 | 3.2 | COc1cc(CC2NCCc3cc(O)c(O)c(I)c32)cc(OC)c1OC | 10.1021/jm00081a007 | |||
| 44583033 | 368819 | 0 | None | None | None | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 385 | 9 | 4 | 5 | 2.2 | COc1ccc(CC(C)(C)NC[C@H](O)COc2cccc3[nH]c(=O)[nH]c23)cc1 | 10.1021/jm900364m | |||
| CHEMBL486278 | 368819 | 0 | None | None | None | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 385 | 9 | 4 | 5 | 2.2 | COc1ccc(CC(C)(C)NC[C@H](O)COc2cccc3[nH]c(=O)[nH]c23)cc1 | 10.1021/jm900364m | |||
| 44396779 | 139348 | 0 | None | None | None | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 611 | 12 | 4 | 8 | 5.1 | C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3ccccc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1007/s00044-009-9257-x | |||
| CHEMBL187209 | 139348 | 0 | None | None | None | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 611 | 12 | 4 | 8 | 5.1 | C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3ccccc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1007/s00044-009-9257-x | |||
| 146025802 | 334148 | 0 | None | None | None | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 349 | 10 | 4 | 7 | 1.5 | COc1ccccc1OCCNC[C@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
| CHEMBL4435895 | 334148 | 0 | None | None | None | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 349 | 10 | 4 | 7 | 1.5 | COc1ccccc1OCCNC[C@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
| 44328703 | 24527 | 0 | None | None | None | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 241 | 6 | 4 | 5 | 0.8 | CC(C)NC[C@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
| CHEMBL1160694 | 24527 | 0 | None | None | None | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 241 | 6 | 4 | 5 | 0.8 | CC(C)NC[C@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
| 146025802 | 334148 | 0 | None | None | None | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 349 | 10 | 4 | 7 | 1.5 | COc1ccccc1OCCNC[C@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
| CHEMBL4435895 | 334148 | 0 | None | None | None | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 349 | 10 | 4 | 7 | 1.5 | COc1ccccc1OCCNC[C@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
| 3931 | 4582 | 43 | None | None | None | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 584 | 17 | 6 | 7 | 4.5 | CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)CCNC[C@@H](COc1ccc(cc1)O)O | 10.1021/jm000544b | |||
| 9829836 | 4582 | 43 | None | None | None | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 584 | 17 | 6 | 7 | 4.5 | CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)CCNC[C@@H](COc1ccc(cc1)O)O | 10.1021/jm000544b | |||
| CHEMBL12998 | 4582 | 43 | None | None | None | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 584 | 17 | 6 | 7 | 4.5 | CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)CCNC[C@@H](COc1ccc(cc1)O)O | 10.1021/jm000544b | |||
| 44392558 | 137555 | 0 | None | None | None | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 471 | 11 | 4 | 6 | 4.1 | CC(C)=CCNc1cccc([C@@H](O)CN[C@H](C)Cc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1 | 10.1007/s00044-009-9257-x | |||
| CHEMBL182770 | 137555 | 0 | None | None | None | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 471 | 11 | 4 | 6 | 4.1 | CC(C)=CCNc1cccc([C@@H](O)CN[C@H](C)Cc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1 | 10.1007/s00044-009-9257-x | |||
| 11962616 | 457 | 21 | None | None | None | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 460 | 13 | 4 | 5 | 4.2 | O=c1ccc2c([nH]1)c(O)ccc2[C@H](CNCCCCCCOCC(c1ccccc1)(F)F)O | 10.1021/acs.jmedchem.0c01195 | |||
| 9326 | 457 | 21 | None | None | None | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 460 | 13 | 4 | 5 | 4.2 | O=c1ccc2c([nH]1)c(O)ccc2[C@H](CNCCCCCCOCC(c1ccccc1)(F)F)O | 10.1021/acs.jmedchem.0c01195 | |||
| CHEMBL3039530 | 457 | 21 | None | None | None | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 460 | 13 | 4 | 5 | 4.2 | O=c1ccc2c([nH]1)c(O)ccc2[C@H](CNCCCCCCOCC(c1ccccc1)(F)F)O | 10.1021/acs.jmedchem.0c01195 | |||
| DB12100 | 457 | 21 | None | None | None | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 460 | 13 | 4 | 5 | 4.2 | O=c1ccc2c([nH]1)c(O)ccc2[C@H](CNCCCCCCOCC(c1ccccc1)(F)F)O | 10.1021/acs.jmedchem.0c01195 | |||
| 127045855 | 276971 | 0 | None | None | None | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 319 | 8 | 4 | 6 | 1.8 | COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
| CHEMBL3797876 | 276971 | 0 | None | None | None | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 319 | 8 | 4 | 6 | 1.8 | COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
| 3083544 | 57618 | 28 | None | None | None | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1021/jm401532g | |||
| 4943 | 57618 | 28 | None | None | None | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1021/jm401532g | |||
| CHEMBL1363 | 57618 | 28 | None | None | None | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1021/jm401532g | |||
| DB00983 | 57618 | 28 | None | None | None | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1021/jm401532g | |||
| DB01274 | 57618 | 28 | None | None | None | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1021/jm401532g | |||
| 146025802 | 334148 | 0 | None | None | None | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 349 | 10 | 4 | 7 | 1.5 | COc1ccccc1OCCNC[C@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
| CHEMBL4435895 | 334148 | 0 | None | None | None | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 349 | 10 | 4 | 7 | 1.5 | COc1ccccc1OCCNC[C@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
| 146025802 | 334148 | 0 | None | None | None | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 349 | 10 | 4 | 7 | 1.5 | COc1ccccc1OCCNC[C@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
| CHEMBL4435895 | 334148 | 0 | None | None | None | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 349 | 10 | 4 | 7 | 1.5 | COc1ccccc1OCCNC[C@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
| 10184665 | 8655 | 40 | None | None | None | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1021/jm401532g | |||
| 4799 | 8655 | 40 | None | None | None | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1021/jm401532g | |||
| 7353 | 8655 | 40 | None | None | None | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1021/jm401532g | |||
| CHEMBL1198857 | 8655 | 40 | None | None | None | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1021/jm401532g | |||
| DB09082 | 8655 | 40 | None | None | None | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1021/jm401532g | |||
| 9917962 | 332708 | 0 | None | None | None | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 684 | 11 | 4 | 9 | 6.8 | N#CN/C(=N\c1ccc2c(c1)CCN2c1nc(-c2ccc(OC(F)(F)F)cc2)cs1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | |||
| CHEMBL431678 | 332708 | 0 | None | None | None | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 684 | 11 | 4 | 9 | 6.8 | N#CN/C(=N\c1ccc2c(c1)CCN2c1nc(-c2ccc(OC(F)(F)F)cc2)cs1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | |||
| 2388 | 18486 | 20 | None | None | None | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
| 443372 | 18486 | 20 | None | None | None | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
| CHEMBL1160723 | 18486 | 20 | None | None | None | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
| 76322965 | 176269 | 0 | None | None | None | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 511 | 9 | 3 | 7 | 4.5 | C[C@H](Cc1cn2c3c(cccc13)OCCC2)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1007/s00044-009-9257-x | |||
| CHEMBL2260989 | 176269 | 0 | None | None | None | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 511 | 9 | 3 | 7 | 4.5 | C[C@H](Cc1cn2c3c(cccc13)OCCC2)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1007/s00044-009-9257-x | |||
| 11270071 | 199224 | 0 | None | None | None | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 328 | 6 | 3 | 2 | 4.1 | C[C@H](Cc1c[nH]c2ccccc12)NC[C@@H](O)c1cccc(Cl)c1 | 10.1007/s00044-009-9257-x | |||
| CHEMBL279931 | 199224 | 0 | None | None | None | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 328 | 6 | 3 | 2 | 4.1 | C[C@H](Cc1c[nH]c2ccccc12)NC[C@@H](O)c1cccc(Cl)c1 | 10.1007/s00044-009-9257-x | |||
| 9803765 | 199841 | 0 | None | None | None | Human | 4.3 | pEC50 | = | 4.3 | Binding | ChEMBL | 449 | 8 | 5 | 7 | 1.8 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(C(=O)O)cc3)CC2)ccc1O | 10.1021/jm000544b | |||
| CHEMBL284311 | 199841 | 0 | None | None | None | Human | 4.3 | pEC50 | = | 4.3 | Binding | ChEMBL | 449 | 8 | 5 | 7 | 1.8 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(C(=O)O)cc3)CC2)ccc1O | 10.1021/jm000544b | |||
| 168290235 | 385513 | 0 | None | None | None | Human | 4.3 | pEC50 | = | 4.3 | Binding | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5222491 | 385513 | 0 | None | None | None | Human | 4.3 | pEC50 | = | 4.3 | Binding | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | |||
| 44396531 | 139122 | 0 | None | None | None | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 647 | 18 | 4 | 8 | 6.4 | CCCCCCCCS(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1007/s00044-009-9257-x | |||
| CHEMBL186135 | 139122 | 0 | None | None | None | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 647 | 18 | 4 | 8 | 6.4 | CCCCCCCCS(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1007/s00044-009-9257-x | |||
| 2388 | 18486 | 20 | None | None | None | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
| 443372 | 18486 | 20 | None | None | None | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
| CHEMBL1160723 | 18486 | 20 | None | None | None | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
| 127046950 | 277339 | 0 | None | None | None | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 437 | 12 | 4 | 6 | 4.0 | COc1cc(CCNC[C@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | |||
| CHEMBL3800303 | 277339 | 0 | None | None | None | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 437 | 12 | 4 | 6 | 4.0 | COc1cc(CCNC[C@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | |||
| 10053159 | 215957 | 0 | None | None | None | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 545 | 18 | 4 | 7 | 4.6 | O=S(=O)(c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)C1CC=CC1 | 10.1021/jm401532g | |||
| CHEMBL3139033 | 215957 | 0 | None | None | None | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 545 | 18 | 4 | 7 | 4.6 | O=S(=O)(c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)C1CC=CC1 | 10.1021/jm401532g | |||
| 10076176 | 216105 | 0 | None | None | None | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 547 | 18 | 4 | 7 | 4.8 | O=S(=O)(c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)C1CCCC1 | 10.1021/jm401532g | |||
| CHEMBL3139683 | 216105 | 0 | None | None | None | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 547 | 18 | 4 | 7 | 4.8 | O=S(=O)(c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)C1CCCC1 | 10.1021/jm401532g | |||
| 10339796 | 240280 | 0 | None | None | None | Guinea pig | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 381 | 5 | 3 | 6 | 2.8 | COc1cc(CC2NCCc3c(F)c(O)c(O)c(F)c32)cc(OC)c1OC | 10.1021/jm00081a007 | |||
| CHEMBL358648 | 240280 | 0 | None | None | None | Guinea pig | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 381 | 5 | 3 | 6 | 2.8 | COc1cc(CC2NCCc3c(F)c(O)c(O)c(F)c32)cc(OC)c1OC | 10.1021/jm00081a007 | |||
| 2419 | 7043 | 56 | None | None | None | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.9b00349 | |||
| 5152 | 7043 | 56 | None | None | None | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.9b00349 | |||
| 559 | 7043 | 56 | None | None | None | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.9b00349 | |||
| CHEMBL1263 | 7043 | 56 | None | None | None | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.9b00349 | |||
| DB00938 | 7043 | 56 | None | None | None | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.9b00349 | |||
| 127045855 | 276971 | 0 | None | None | None | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 319 | 8 | 4 | 6 | 1.8 | COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
| CHEMBL3797876 | 276971 | 0 | None | None | None | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 319 | 8 | 4 | 6 | 1.8 | COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
| 2388 | 18486 | 20 | None | None | None | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
| 443372 | 18486 | 20 | None | None | None | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
| CHEMBL1160723 | 18486 | 20 | None | None | None | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
| 155154344 | 405310 | 0 | None | None | None | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 262 | 3 | 2 | 3 | 2.5 | CC(C)(C)NC[C@H](O)c1cccc(C(F)(F)F)n1 | nan | |||
| CHEMBL5744358 | 405310 | 0 | None | None | None | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 262 | 3 | 2 | 3 | 2.5 | CC(C)(C)NC[C@H](O)c1cccc(C(F)(F)F)n1 | nan | |||
| 44396513 | 139010 | 0 | None | None | None | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 577 | 12 | 4 | 8 | 4.4 | CC(C)S(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1007/s00044-009-9257-x | |||
| CHEMBL185660 | 139010 | 0 | None | None | None | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 577 | 12 | 4 | 8 | 4.4 | CC(C)S(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1007/s00044-009-9257-x | |||
| 6916441 | 193726 | 0 | None | None | None | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 402 | 9 | 4 | 4 | 3.5 | CC(Cc1c[nH]c2c(OCC(=O)O)cccc12)NC[C@H](O)c1cccc(Cl)c1 | 10.1007/s00044-009-9257-x | |||
| CHEMBL282190 | 193726 | 0 | None | None | None | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 402 | 9 | 4 | 4 | 3.5 | CC(Cc1c[nH]c2c(OCC(=O)O)cccc12)NC[C@H](O)c1cccc(Cl)c1 | 10.1007/s00044-009-9257-x | |||
| 44396577 | 139240 | 0 | None | None | None | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 561 | 12 | 4 | 6 | 5.9 | C[C@H](Cc1c[nH]c2c(OCc3ccccc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1007/s00044-009-9257-x | |||
| CHEMBL186676 | 139240 | 0 | None | None | None | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 561 | 12 | 4 | 6 | 5.9 | C[C@H](Cc1c[nH]c2c(OCc3ccccc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1007/s00044-009-9257-x | |||
| 44396596 | 251381 | 0 | None | None | None | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 485 | 10 | 4 | 6 | 4.3 | COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1007/s00044-009-9257-x | |||
| CHEMBL361505 | 251381 | 0 | None | None | None | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 485 | 10 | 4 | 6 | 4.3 | COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1007/s00044-009-9257-x | |||
| 76319327 | 176275 | 0 | None | None | None | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 584 | 14 | 4 | 7 | 4.5 | CCN(CC)C(=O)COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1007/s00044-009-9257-x | |||
| CHEMBL2261203 | 176275 | 0 | None | None | None | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 584 | 14 | 4 | 7 | 4.5 | CCN(CC)C(=O)COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1007/s00044-009-9257-x | |||
| 13720717 | 155074 | 0 | None | None | None | Guinea pig | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 363 | 5 | 3 | 6 | 2.7 | COc1cc(C[C@H]2NCCc3cc(O)c(O)c(F)c32)cc(OC)c1OC | 10.1021/jm00081a007 | |||
| CHEMBL2092996 | 155074 | 0 | None | None | None | Guinea pig | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 363 | 5 | 3 | 6 | 2.7 | COc1cc(C[C@H]2NCCc3cc(O)c(O)c(F)c32)cc(OC)c1OC | 10.1021/jm00081a007 | |||
| 127045855 | 276971 | 0 | None | None | None | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 319 | 8 | 4 | 6 | 1.8 | COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
| CHEMBL3797876 | 276971 | 0 | None | None | None | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 319 | 8 | 4 | 6 | 1.8 | COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
| 44328703 | 24527 | 0 | None | None | None | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 241 | 6 | 4 | 5 | 0.8 | CC(C)NC[C@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
| CHEMBL1160694 | 24527 | 0 | None | None | None | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 241 | 6 | 4 | 5 | 0.8 | CC(C)NC[C@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
| 44328703 | 24527 | 0 | None | None | None | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 241 | 6 | 4 | 5 | 0.8 | CC(C)NC[C@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
| CHEMBL1160694 | 24527 | 0 | None | None | None | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 241 | 6 | 4 | 5 | 0.8 | CC(C)NC[C@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
| 76329060 | 216106 | 0 | None | None | None | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 493 | 17 | 4 | 7 | 3.5 | CS(=O)(=O)c1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 | 10.1021/jm401532g | |||
| CHEMBL3139685 | 216106 | 0 | None | None | None | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 493 | 17 | 4 | 7 | 3.5 | CS(=O)(=O)c1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 | 10.1021/jm401532g | |||
| 76315639 | 176267 | 0 | None | None | None | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 507 | 10 | 4 | 6 | 4.0 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1ccc(C(=O)Nc2ccccc2)cc1 | 10.1007/s00044-009-9257-x | |||
| CHEMBL2260987 | 176267 | 0 | None | None | None | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 507 | 10 | 4 | 6 | 4.0 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1ccc(C(=O)Nc2ccccc2)cc1 | 10.1007/s00044-009-9257-x | |||
| 76315637 | 176264 | 0 | None | None | None | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 607 | 12 | 4 | 10 | 4.2 | CCOC(=O)S(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1007/s00044-009-9257-x | |||
| CHEMBL2260984 | 176264 | 0 | None | None | None | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 607 | 12 | 4 | 10 | 4.2 | CCOC(=O)S(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1007/s00044-009-9257-x | |||
| 44396530 | 139375 | 0 | None | None | None | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 591 | 14 | 4 | 8 | 4.8 | CCCCS(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1007/s00044-009-9257-x | |||
| CHEMBL187317 | 139375 | 0 | None | None | None | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 591 | 14 | 4 | 8 | 4.8 | CCCCS(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1007/s00044-009-9257-x | |||
| 44392542 | 138156 | 0 | None | None | None | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 543 | 11 | 4 | 6 | 5.5 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NCc2ccc3ccccc3c2)c1 | 10.1007/s00044-009-9257-x | |||
| CHEMBL183552 | 138156 | 0 | None | None | None | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 543 | 11 | 4 | 6 | 5.5 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NCc2ccc3ccccc3c2)c1 | 10.1007/s00044-009-9257-x | |||
| 2388 | 18486 | 20 | None | None | None | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/jm401532g | |||
| 443372 | 18486 | 20 | None | None | None | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/jm401532g | |||
| CHEMBL1160723 | 18486 | 20 | None | None | None | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/jm401532g | |||
| 127045855 | 276971 | 0 | None | None | None | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 319 | 8 | 4 | 6 | 1.8 | COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
| CHEMBL3797876 | 276971 | 0 | None | None | None | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 319 | 8 | 4 | 6 | 1.8 | COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
| 127046950 | 277339 | 0 | None | None | None | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 437 | 12 | 4 | 6 | 4.0 | COc1cc(CCNC[C@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | |||
| CHEMBL3800303 | 277339 | 0 | None | None | None | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 437 | 12 | 4 | 6 | 4.0 | COc1cc(CCNC[C@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | |||
| 127046950 | 277339 | 0 | None | None | None | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 437 | 12 | 4 | 6 | 4.0 | COc1cc(CCNC[C@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | |||
| CHEMBL3800303 | 277339 | 0 | None | None | None | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 437 | 12 | 4 | 6 | 4.0 | COc1cc(CCNC[C@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | |||
| 146025802 | 334148 | 0 | None | None | None | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 349 | 10 | 4 | 7 | 1.5 | COc1ccccc1OCCNC[C@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
| CHEMBL4435895 | 334148 | 0 | None | None | None | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 349 | 10 | 4 | 7 | 1.5 | COc1ccccc1OCCNC[C@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
| 2419 | 7043 | 56 | None | None | None | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm401532g | |||
| 5152 | 7043 | 56 | None | None | None | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm401532g | |||
| 559 | 7043 | 56 | None | None | None | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm401532g | |||
| CHEMBL1263 | 7043 | 56 | None | None | None | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm401532g | |||
| DB00938 | 7043 | 56 | None | None | None | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm401532g | |||
| 146025803 | 346717 | 0 | None | None | None | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 467 | 14 | 4 | 7 | 3.7 | COc1cc(CCNC[C@H](O)COc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | |||
| CHEMBL4593181 | 346717 | 0 | None | None | None | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 467 | 14 | 4 | 7 | 3.7 | COc1cc(CCNC[C@H](O)COc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | |||
| 44392575 | 136701 | 0 | None | None | None | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 441 | 10 | 4 | 6 | 2.8 | C#CCNc1cccc([C@@H](O)CN[C@H](C)Cc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1 | 10.1007/s00044-009-9257-x | |||
| CHEMBL181300 | 136701 | 0 | None | None | None | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 441 | 10 | 4 | 6 | 2.8 | C#CCNc1cccc([C@@H](O)CN[C@H](C)Cc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1 | 10.1007/s00044-009-9257-x | |||
| 53494950 | 145309 | 0 | None | None | None | Human | 10.4 | pIC50 | = | 10.4 | Binding | ChEMBL | 416 | 12 | 4 | 6 | 2.1 | N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1cccc(OCCF)c1 | 10.1021/ml1002458 | |||
| CHEMBL2011218 | 145309 | 0 | None | None | None | Human | 10.4 | pIC50 | = | 10.4 | Binding | ChEMBL | 416 | 12 | 4 | 6 | 2.1 | N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1cccc(OCCF)c1 | 10.1021/ml1002458 | |||
| 70683109 | 145317 | 0 | None | None | None | Human | 10.3 | pIC50 | = | 10.3 | Binding | ChEMBL | 481 | 9 | 4 | 6 | 1.7 | N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1ccc(I)nc1 | 10.1021/ml1002458 | |||
| CHEMBL2011226 | 145317 | 0 | None | None | None | Human | 10.3 | pIC50 | = | 10.3 | Binding | ChEMBL | 481 | 9 | 4 | 6 | 1.7 | N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1ccc(I)nc1 | 10.1021/ml1002458 | |||
| 70693600 | 145318 | 0 | None | None | None | Human | 10.3 | pIC50 | = | 10.3 | Binding | ChEMBL | 433 | 9 | 4 | 6 | 1.9 | N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1ccc(Br)nc1 | 10.1021/ml1002458 | |||
| CHEMBL2011227 | 145318 | 0 | None | None | None | Human | 10.3 | pIC50 | = | 10.3 | Binding | ChEMBL | 433 | 9 | 4 | 6 | 1.9 | N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1ccc(Br)nc1 | 10.1021/ml1002458 | |||
| 11546170 | 145307 | 0 | None | None | None | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | 416 | 12 | 4 | 6 | 2.1 | N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1ccc(OCCF)cc1 | 10.1021/ml1002458 | |||
| CHEMBL2011216 | 145307 | 0 | None | None | None | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | 416 | 12 | 4 | 6 | 2.1 | N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1ccc(OCCF)cc1 | 10.1021/ml1002458 | |||
| 70691507 | 145306 | 0 | None | None | None | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 372 | 9 | 4 | 5 | 1.8 | N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1ccc(F)cc1 | 10.1021/ml1002458 | |||
| CHEMBL2011215 | 145306 | 0 | None | None | None | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 372 | 9 | 4 | 5 | 1.8 | N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1ccc(F)cc1 | 10.1021/ml1002458 | |||
| 70683108 | 145315 | 0 | None | None | None | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 417 | 12 | 4 | 7 | 1.5 | N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1ccc(OCCF)nc1 | 10.1021/ml1002458 | |||
| CHEMBL2011224 | 145315 | 0 | None | None | None | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 417 | 12 | 4 | 7 | 1.5 | N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1ccc(OCCF)nc1 | 10.1021/ml1002458 | |||
| 11523842 | 145304 | 0 | None | None | None | Human | 10.0 | pIC50 | = | 10.0 | Binding | ChEMBL | 384 | 10 | 4 | 6 | 1.7 | COc1ccc(NC(=O)NCCNC[C@H](O)COc2ccccc2C#N)cc1 | 10.1021/ml1002458 | |||
| CHEMBL2011213 | 145304 | 0 | None | None | None | Human | 10.0 | pIC50 | = | 10.0 | Binding | ChEMBL | 384 | 10 | 4 | 6 | 1.7 | COc1ccc(NC(=O)NCCNC[C@H](O)COc2ccccc2C#N)cc1 | 10.1021/ml1002458 | |||
| 70680984 | 145325 | 0 | None | None | None | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 371 | 10 | 3 | 5 | 1.4 | N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Cc1ccc(F)cc1 | 10.1021/ml1002458 | |||
| CHEMBL2011235 | 145325 | 0 | None | None | None | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 371 | 10 | 3 | 5 | 1.4 | N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Cc1ccc(F)cc1 | 10.1021/ml1002458 | |||
| 2585 | 1662 | 62 | None | None | None | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | |||
| 522 | 1662 | 62 | None | None | None | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | |||
| 551 | 1662 | 62 | None | None | None | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | |||
| CHEMBL723 | 1662 | 62 | None | None | None | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | |||
| DB01136 | 1662 | 62 | None | None | None | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | |||
| 70687345 | 145305 | 0 | None | None | None | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 372 | 9 | 4 | 5 | 1.8 | N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1ccccc1F | 10.1021/ml1002458 | |||
| CHEMBL2011214 | 145305 | 0 | None | None | None | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 372 | 9 | 4 | 5 | 1.8 | N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1ccccc1F | 10.1021/ml1002458 | |||
| 70683106 | 145308 | 0 | None | None | None | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 430 | 13 | 4 | 6 | 2.4 | N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1ccc(OCCCF)cc1 | 10.1021/ml1002458 | |||
| CHEMBL2011217 | 145308 | 0 | None | None | None | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 430 | 13 | 4 | 6 | 2.4 | N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1ccc(OCCCF)cc1 | 10.1021/ml1002458 | |||
| 70680982 | 145316 | 0 | None | None | None | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 373 | 9 | 4 | 6 | 1.2 | N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1ccc(F)nc1 | 10.1021/ml1002458 | |||
| CHEMBL2011225 | 145316 | 0 | None | None | None | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 373 | 9 | 4 | 6 | 1.2 | N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1ccc(F)nc1 | 10.1021/ml1002458 | |||
| 70693601 | 145319 | 0 | None | None | None | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 434 | 9 | 4 | 7 | 1.3 | N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1cnc(Br)cn1 | 10.1021/ml1002458 | |||
| CHEMBL2011228 | 145319 | 0 | None | None | None | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 434 | 9 | 4 | 7 | 1.3 | N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1cnc(Br)cn1 | 10.1021/ml1002458 | |||
| 127 | 6360 | 38 | None | None | None | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | O[C@H](COc1cccc2c1cc[nH]2)CNC(C)C | nan | |||
| 688095 | 6360 | 38 | None | None | None | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | O[C@H](COc1cccc2c1cc[nH]2)CNC(C)C | nan | |||
| CHEMBL117405 | 6360 | 38 | None | None | None | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | O[C@H](COc1cccc2c1cc[nH]2)CNC(C)C | nan | |||
| 2176 | 6361 | 47 | None | None | None | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | nan | |||
| 4828 | 6361 | 47 | None | None | None | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | nan | |||
| 91 | 6361 | 47 | None | None | None | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | nan | |||
| CHEMBL500 | 6361 | 47 | None | None | None | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | nan | |||
| DB00960 | 6361 | 47 | None | None | None | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | nan | |||
| 70689402 | 145313 | 0 | None | None | None | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 416 | 10 | 5 | 6 | 1.5 | N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1ccc(C(=O)O)c(F)c1 | 10.1021/ml1002458 | |||
| CHEMBL2011222 | 145313 | 0 | None | None | None | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 416 | 10 | 5 | 6 | 1.5 | N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1ccc(C(=O)O)c(F)c1 | 10.1021/ml1002458 | |||
| 70680981 | 145310 | 0 | None | None | None | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 429 | 12 | 5 | 6 | 2.5 | CC(CF)Nc1ccc(NC(=O)NCCNC[C@H](O)COc2ccccc2C#N)cc1 | 10.1021/ml1002458 | |||
| CHEMBL2011219 | 145310 | 0 | None | None | None | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 429 | 12 | 5 | 6 | 2.5 | CC(CF)Nc1ccc(NC(=O)NCCNC[C@H](O)COc2ccccc2C#N)cc1 | 10.1021/ml1002458 | |||
| 145990586 | 331653 | 0 | None | None | None | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 297 | 2 | 2 | 4 | 2.6 | COc1cc2c3c(c1OC)-c1ccccc1[C@@H](O)[C@@H]3NCC2 | 10.1039/C7MD00656J | |||
| CHEMBL4285281 | 331653 | 0 | None | None | None | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 297 | 2 | 2 | 4 | 2.6 | COc1cc2c3c(c1OC)-c1ccccc1[C@@H](O)[C@@H]3NCC2 | 10.1039/C7MD00656J | |||
| 2249 | 1058 | 67 | None | None | None | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm058018d | |||
| 255 | 1058 | 67 | None | None | None | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm058018d | |||
| 548 | 1058 | 67 | None | None | None | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm058018d | |||
| CHEMBL24 | 1058 | 67 | None | None | None | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm058018d | |||
| DB00335 | 1058 | 67 | None | None | None | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm058018d | |||
| 2303 | 6476 | 48 | None | None | None | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
| 4946 | 6476 | 48 | None | None | None | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
| 564 | 6476 | 48 | None | None | None | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
| 63 | 6476 | 48 | None | None | None | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
| 91536 | 6476 | 48 | None | None | None | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
| CHEMBL27 | 6476 | 48 | None | None | None | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
| CHEMBL452861 | 6476 | 48 | None | None | None | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
| DB00571 | 6476 | 48 | None | None | None | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
| 24901416 | 142603 | 0 | None | None | None | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 481 | 11 | 5 | 6 | 3.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccccc3CNCCc3ccccc3F)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1945035 | 142603 | 0 | None | None | None | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 481 | 11 | 5 | 6 | 3.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccccc3CNCCc3ccccc3F)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
| 44268305 | 193665 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 345 | 10 | 3 | 5 | 2.8 | COc1ccc(CC[C@H](C)NC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
| CHEMBL274782 | 193665 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 345 | 10 | 3 | 5 | 2.8 | COc1ccc(CC[C@H](C)NC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
| 1531 | 4617 | 40 | None | None | None | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | |||
| 3869 | 4617 | 40 | None | None | None | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | |||
| 7207 | 4617 | 40 | None | None | None | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | |||
| CHEMBL429 | 4617 | 40 | None | None | None | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | |||
| DB00598 | 4617 | 40 | None | None | None | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | |||
| 70685188 | 145321 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 392 | 11 | 4 | 9 | -0.3 | N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1nnn(CCF)n1 | 10.1021/ml1002458 | |||
| CHEMBL2011230 | 145321 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 392 | 11 | 4 | 9 | -0.3 | N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1nnn(CCF)n1 | 10.1021/ml1002458 | |||
| 70687347 | 145323 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 358 | 9 | 3 | 6 | 0.9 | N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)c1ccc(F)nc1 | 10.1021/ml1002458 | |||
| CHEMBL2011233 | 145323 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 358 | 9 | 3 | 6 | 0.9 | N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)c1ccc(F)nc1 | 10.1021/ml1002458 | |||
| 24901143 | 142609 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 483 | 10 | 5 | 6 | 4.1 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCc4ccccc4Cl)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1945041 | 142609 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 483 | 10 | 5 | 6 | 4.1 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCc4ccccc4Cl)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
| 24900750 | 142623 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1ccc(CNCc2cccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)sc34)c2)cc1 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1945289 | 142623 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1ccc(CNCc2cccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)sc34)c2)cc1 | 10.1016/j.bmcl.2011.10.049 | |||
| 16049162 | 136424 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 515 | 13 | 5 | 7 | 3.9 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSCCCNCCc3cccc(C(F)(F)F)c3)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
| CHEMBL1807826 | 136424 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 515 | 13 | 5 | 7 | 3.9 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSCCCNCCc3cccc(C(F)(F)F)c3)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
| 16049377 | 136430 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 465 | 13 | 5 | 7 | 2.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCOCCCNCCc3cccc(Cl)c3)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
| CHEMBL1807832 | 136430 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 465 | 13 | 5 | 7 | 2.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCOCCCNCCc3cccc(Cl)c3)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
| 24900751 | 142624 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 493 | 12 | 5 | 7 | 3.8 | CCOc1ccccc1CNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1945290 | 142624 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 493 | 12 | 5 | 7 | 3.8 | CCOc1ccccc1CNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | |||
| 44268277 | 46139 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 408 | 11 | 4 | 6 | 2.1 | CC(C)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
| CHEMBL13238 | 46139 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 408 | 11 | 4 | 6 | 2.1 | CC(C)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
| 44281371 | 200295 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 655 | 14 | 3 | 10 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(COc3ccc(OC(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
| CHEMBL287567 | 200295 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 655 | 14 | 3 | 10 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(COc3ccc(OC(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
| 44377315 | 120171 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 605 | 14 | 3 | 6 | 5.4 | O=C1N(CCCC2CCCCC2)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | |||
| CHEMBL165177 | 120171 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 605 | 14 | 3 | 6 | 5.4 | O=C1N(CCCC2CCCCC2)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | |||
| 44313090 | 203219 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 568 | 12 | 6 | 7 | 4.9 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OCC3NCCc4cc(O)c(O)cc43)cc2)cc1 | 10.1016/s0960-894x(00)00459-5 | |||
| CHEMBL308126 | 203219 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 568 | 12 | 6 | 7 | 4.9 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OCC3NCCc4cc(O)c(O)cc43)cc2)cc1 | 10.1016/s0960-894x(00)00459-5 | |||
| 44312949 | 468753 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 602 | 11 | 6 | 6 | 6.2 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3cc(CC4NCCc5cc(O)c(O)cc54)ccc3c2)cc1 | 10.1016/s0960-894x(00)00459-5 | |||
| CHEMBL67998 | 468753 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 602 | 11 | 6 | 6 | 6.2 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3cc(CC4NCCc5cc(O)c(O)cc54)ccc3c2)cc1 | 10.1016/s0960-894x(00)00459-5 | |||
| 3038500 | 23645 | 11 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 624 | 11 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1021/acs.jmedchem.5b01372 | |||
| CHEMBL111201 | 23645 | 11 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 624 | 11 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1021/acs.jmedchem.5b01372 | |||
| 44307007 | 200922 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 469 | 12 | 3 | 6 | 3.6 | CC(C)c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | |||
| CHEMBL292947 | 200922 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 469 | 12 | 3 | 6 | 3.6 | CC(C)c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | |||
| 10437614 | 201083 | 14 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 553 | 11 | 3 | 6 | 3.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1)c1ccc(I)cc1 | 10.1016/s0960-894x(98)00381-3 | |||
| CHEMBL294042 | 201083 | 14 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 553 | 11 | 3 | 6 | 3.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1)c1ccc(I)cc1 | 10.1016/s0960-894x(98)00381-3 | |||
| 44303198 | 468200 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 568 | 11 | 4 | 7 | 2.6 | Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(I)cc3)cc2)cn1 | 10.1016/s0960-894x(98)00381-3 | |||
| CHEMBL64201 | 468200 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 568 | 11 | 4 | 7 | 2.6 | Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(I)cc3)cc2)cn1 | 10.1016/s0960-894x(98)00381-3 | |||
| 44307065 | 468357 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 445 | 11 | 3 | 6 | 2.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1)c1ccc(F)cc1 | 10.1016/s0960-894x(98)00381-3 | |||
| CHEMBL64932 | 468357 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 445 | 11 | 3 | 6 | 2.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1)c1ccc(F)cc1 | 10.1016/s0960-894x(98)00381-3 | |||
| 44307064 | 468360 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 461 | 11 | 3 | 6 | 3.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1)c1ccc(Cl)cc1 | 10.1016/s0960-894x(98)00381-3 | |||
| CHEMBL64936 | 468360 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 461 | 11 | 3 | 6 | 3.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1)c1ccc(Cl)cc1 | 10.1016/s0960-894x(98)00381-3 | |||
| 44307343 | 468606 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 457 | 12 | 3 | 7 | 2.5 | COc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | |||
| CHEMBL66964 | 468606 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 457 | 12 | 3 | 7 | 2.5 | COc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | |||
| 44268572 | 59355 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 572 | 16 | 6 | 8 | 2.9 | COCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
| CHEMBL13521 | 59355 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 572 | 16 | 6 | 8 | 2.9 | COCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
| 44268482 | 198394 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 499 | 12 | 5 | 7 | 2.7 | CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
| CHEMBL273428 | 198394 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 499 | 12 | 5 | 7 | 2.7 | CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
| 12017016 | 200338 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 574 | 14 | 3 | 7 | 5.9 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(CCCC3CCCC3)o2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
| CHEMBL287947 | 200338 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 574 | 14 | 3 | 7 | 5.9 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(CCCC3CCCC3)o2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
| 44298497 | 387179 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 464 | 11 | 1 | 5 | 5.9 | CCCCCCCCc1ccnc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1 | 10.1016/s0960-894x(99)00277-2 | |||
| CHEMBL53359 | 387179 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 464 | 11 | 1 | 5 | 5.9 | CCCCCCCCc1ccnc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1 | 10.1016/s0960-894x(99)00277-2 | |||
| 44298731 | 405177 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 429 | 10 | 2 | 3 | 4.9 | CCCCCCCCNC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | |||
| CHEMBL57430 | 405177 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 429 | 10 | 2 | 3 | 4.9 | CCCCCCCCNC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | |||
| 9799092 | 100572 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 362 | 9 | 4 | 4 | 3.1 | C[C@H](CNc1ccc(CC(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | |||
| CHEMBL154419 | 100572 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 362 | 9 | 4 | 4 | 3.1 | C[C@H](CNc1ccc(CC(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | |||
| 44268281 | 40760 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 436 | 14 | 4 | 6 | 2.9 | CCCCCS(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
| CHEMBL12498 | 40760 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 436 | 14 | 4 | 6 | 2.9 | CCCCCS(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
| 44268275 | 43463 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 484 | 14 | 4 | 6 | 3.3 | O=S(=O)(CCCc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
| CHEMBL13003 | 43463 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 484 | 14 | 4 | 6 | 3.3 | O=S(=O)(CCCc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
| 44268254 | 43863 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 302 | 8 | 4 | 5 | 1.5 | Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
| CHEMBL13034 | 43863 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 302 | 8 | 4 | 5 | 1.5 | Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
| 44268295 | 198807 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 408 | 12 | 4 | 6 | 2.1 | CCCS(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
| CHEMBL276480 | 198807 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 408 | 12 | 4 | 6 | 2.1 | CCCS(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
| 44268324 | 40668 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 476 | 11 | 4 | 6 | 3.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccc(Cl)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
| CHEMBL12450 | 40668 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 476 | 11 | 4 | 6 | 3.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccc(Cl)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
| 44268274 | 42709 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 476 | 11 | 4 | 6 | 3.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1cccc(Cl)c1 | 10.1016/s0960-894x(98)00169-3 | |||
| CHEMBL12813 | 42709 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 476 | 11 | 4 | 6 | 3.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1cccc(Cl)c1 | 10.1016/s0960-894x(98)00169-3 | |||
| 44335572 | 19512 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 475 | 9 | 3 | 5 | 3.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(Br)cc1 | 10.1016/s0960-894x(98)00571-x | |||
| CHEMBL105968 | 19512 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 475 | 9 | 3 | 5 | 3.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(Br)cc1 | 10.1016/s0960-894x(98)00571-x | |||
| 44335498 | 217176 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 447 | 9 | 3 | 5 | 3.9 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc2ccccc2c1 | 10.1016/s0960-894x(98)00571-x | |||
| CHEMBL318802 | 217176 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 447 | 9 | 3 | 5 | 3.9 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc2ccccc2c1 | 10.1016/s0960-894x(98)00571-x | |||
| 44335562 | 218148 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 558 | 14 | 4 | 6 | 4.7 | O=C(CCCc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | |||
| CHEMBL320138 | 218148 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 558 | 14 | 4 | 6 | 4.7 | O=C(CCCc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | |||
| 44303192 | 468316 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 523 | 9 | 3 | 5 | 3.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(I)cc1 | 10.1016/s0960-894x(98)00571-x | |||
| CHEMBL64697 | 468316 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 523 | 9 | 3 | 5 | 3.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(I)cc1 | 10.1016/s0960-894x(98)00571-x | |||
| 12049923 | 468665 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 608 | 12 | 3 | 8 | 4.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3c(F)cc(F)cc3F)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | |||
| CHEMBL67404 | 468665 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 608 | 12 | 3 | 8 | 4.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3c(F)cc(F)cc3F)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | |||
| 44461468 | 215320 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 608 | 17 | 4 | 9 | 3.7 | CCCCCCCCn1c(=O)[nH]n(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | |||
| CHEMBL312364 | 215320 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 608 | 17 | 4 | 9 | 3.7 | CCCCCCCCn1c(=O)[nH]n(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | |||
| 44377412 | 238832 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 580 | 15 | 4 | 9 | 3.0 | CCCCCCn1c(=O)[nH]n(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | |||
| CHEMBL351467 | 238832 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 580 | 15 | 4 | 9 | 3.0 | CCCCCCn1c(=O)[nH]n(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | |||
| 44281037 | 232387 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 479 | 10 | 3 | 8 | 3.1 | Cc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | |||
| CHEMBL33168 | 232387 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 479 | 10 | 3 | 8 | 3.1 | Cc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | |||
| 12043158 | 328224 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 551 | 14 | 4 | 9 | 3.5 | CC(O)CCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | |||
| CHEMBL418411 | 328224 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 551 | 14 | 4 | 9 | 3.5 | CC(O)CCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | |||
| 44377677 | 119678 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 495 | 10 | 3 | 6 | 2.6 | CN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00072-4 | |||
| CHEMBL164401 | 119678 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 495 | 10 | 3 | 6 | 2.6 | CN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00072-4 | |||
| 44377517 | 120028 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 551 | 14 | 3 | 6 | 4.2 | CCCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00072-4 | |||
| CHEMBL165015 | 120028 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 551 | 14 | 3 | 6 | 4.2 | CCCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00072-4 | |||
| 44377957 | 120297 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 537 | 13 | 3 | 6 | 3.8 | CCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00072-4 | |||
| CHEMBL166013 | 120297 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 537 | 13 | 3 | 6 | 3.8 | CCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00072-4 | |||
| 44377650 | 238878 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 577 | 13 | 3 | 6 | 4.6 | O=C1N(CCC2CCCC2)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | |||
| CHEMBL351967 | 238878 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 577 | 13 | 3 | 6 | 4.6 | O=C1N(CCC2CCCC2)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | |||
| 44461489 | 470203 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 591 | 13 | 3 | 6 | 4.3 | O=C1N(CCCC(F)(F)F)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | |||
| CHEMBL79675 | 470203 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 591 | 13 | 3 | 6 | 4.3 | O=C1N(CCCC(F)(F)F)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | |||
| 44461719 | 470670 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 641 | 14 | 3 | 6 | 5.0 | O=C1N(CCCC(F)(F)C(F)(F)F)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | |||
| CHEMBL83754 | 470670 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 641 | 14 | 3 | 6 | 5.0 | O=C1N(CCCC(F)(F)C(F)(F)F)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | |||
| 44306992 | 468750 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 442 | 11 | 4 | 7 | 2.0 | Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccccc3)cc2)cn1 | 10.1016/s0960-894x(98)00381-3 | |||
| CHEMBL67993 | 468750 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 442 | 11 | 4 | 7 | 2.0 | Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccccc3)cc2)cn1 | 10.1016/s0960-894x(98)00381-3 | |||
| 44298767 | 201041 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 553 | 15 | 4 | 6 | 4.5 | CCCCCCNC(=O)N(C)c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00277-2 | |||
| CHEMBL293818 | 201041 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 553 | 15 | 4 | 6 | 4.5 | CCCCCCNC(=O)N(C)c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00277-2 | |||
| 44298306 | 202101 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 435 | 6 | 1 | 3 | 4.1 | CN(CCc1ccccc1)C(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | |||
| CHEMBL301594 | 202101 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 435 | 6 | 1 | 3 | 4.1 | CN(CCc1ccccc1)C(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | |||
| 44298752 | 393946 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 415 | 8 | 1 | 3 | 4.5 | CCCCCCN(C)C(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | |||
| CHEMBL56594 | 393946 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 415 | 8 | 1 | 3 | 4.5 | CCCCCCN(C)C(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | |||
| 44298718 | 394182 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 386 | 8 | 1 | 3 | 4.3 | CCCCCCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | |||
| CHEMBL56752 | 394182 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 386 | 8 | 1 | 3 | 4.3 | CCCCCCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | |||
| 44335844 | 19210 | 0 | None | None | None | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 363 | 9 | 3 | 5 | 2.1 | CC(C)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(98)00571-x | |||
| CHEMBL104377 | 19210 | 0 | None | None | None | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 363 | 9 | 3 | 5 | 2.1 | CC(C)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(98)00571-x | |||
| 44335882 | 19243 | 0 | None | None | None | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 425 | 11 | 3 | 5 | 2.9 | O=S(=O)(CCc1ccccc1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(98)00571-x | |||
| CHEMBL104551 | 19243 | 0 | None | None | None | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 425 | 11 | 3 | 5 | 2.9 | O=S(=O)(CCc1ccccc1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(98)00571-x | |||
| 44335833 | 19913 | 0 | None | None | None | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 448 | 9 | 3 | 6 | 3.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1cnc2ccccc2c1 | 10.1016/s0960-894x(98)00571-x | |||
| CHEMBL107681 | 19913 | 0 | None | None | None | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 448 | 9 | 3 | 6 | 3.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1cnc2ccccc2c1 | 10.1016/s0960-894x(98)00571-x | |||
| 44301881 | 200689 | 0 | None | None | None | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 612 | 11 | 3 | 8 | 6.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cc4ccccc4s3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
| CHEMBL291306 | 200689 | 0 | None | None | None | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 612 | 11 | 3 | 8 | 6.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cc4ccccc4s3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
| 44377755 | 238651 | 0 | None | None | None | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 589 | 13 | 3 | 8 | 4.0 | O=c1n(CCCC(F)(F)F)ccn1-c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | |||
| CHEMBL349689 | 238651 | 0 | None | None | None | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 589 | 13 | 3 | 8 | 4.0 | O=c1n(CCCC(F)(F)F)ccn1-c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | |||
| 44461488 | 470225 | 0 | None | None | None | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 606 | 13 | 3 | 7 | 3.0 | O=C(CCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O)N1CCCC1 | 10.1016/s0960-894x(99)00072-4 | |||
| CHEMBL79915 | 470225 | 0 | None | None | None | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 606 | 13 | 3 | 7 | 3.0 | O=C(CCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O)N1CCCC1 | 10.1016/s0960-894x(99)00072-4 | |||
| 44298761 | 389560 | 0 | None | None | None | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 331 | 3 | 2 | 3 | 2.2 | CNC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | |||
| CHEMBL54885 | 389560 | 0 | None | None | None | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 331 | 3 | 2 | 3 | 2.2 | CNC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | |||
| 145947241 | 332400 | 0 | None | None | None | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 449 | 10 | 2 | 7 | 3.5 | COc1ccc(CCNCC(O)COc2cccc3c(=O)c4ccccc4oc23)cc1OC | 10.1016/j.bmc.2018.04.038 | |||
| CHEMBL4301544 | 332400 | 0 | None | None | None | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 449 | 10 | 2 | 7 | 3.5 | COc1ccc(CCNCC(O)COc2cccc3c(=O)c4ccccc4oc23)cc1OC | 10.1016/j.bmc.2018.04.038 | |||
| 44349588 | 235831 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 628 | 16 | 4 | 7 | 8.0 | CCCCCCCCc1csc(N2CCc3cc(N/C(S)=N/c4ccc(CCNC[C@H](O)c5cccnc5)cc4)ccc32)n1 | 10.1016/s0960-894x(00)00669-7 | |||
| CHEMBL338664 | 235831 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 628 | 16 | 4 | 7 | 8.0 | CCCCCCCCc1csc(N2CCc3cc(N/C(S)=N/c4ccc(CCNC[C@H](O)c5cccnc5)cc4)ccc32)n1 | 10.1016/s0960-894x(00)00669-7 | |||
| 9912580 | 41950 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 470 | 13 | 4 | 6 | 2.9 | O=S(=O)(CCc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
| CHEMBL12674 | 41950 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 470 | 13 | 4 | 6 | 2.9 | O=S(=O)(CCc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
| 44301818 | 467788 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 572 | 11 | 4 | 8 | 5.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(O)cc3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
| CHEMBL61962 | 467788 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 572 | 11 | 4 | 8 | 5.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(O)cc3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
| 14998855 | 118521 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 402 | 6 | 2 | 5 | 1.3 | CN(c1ccc(C(=O)NCC2CN(c3ccccc3)CCN2)cc1)S(C)(=O)=O | 10.1021/jm00082a016 | |||
| CHEMBL162200 | 118521 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 402 | 6 | 2 | 5 | 1.3 | CN(c1ccc(C(=O)NCC2CN(c3ccccc3)CCN2)cc1)S(C)(=O)=O | 10.1021/jm00082a016 | |||
| 14998858 | 238736 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 422 | 6 | 3 | 5 | 1.9 | CS(=O)(=O)Nc1ccc(C(=O)NCC2CN(c3cccc(Cl)c3)CCN2)cc1 | 10.1021/jm00082a016 | |||
| CHEMBL350432 | 238736 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 422 | 6 | 3 | 5 | 1.9 | CS(=O)(=O)Nc1ccc(C(=O)NCC2CN(c3cccc(Cl)c3)CCN2)cc1 | 10.1021/jm00082a016 | |||
| 44349378 | 42386 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 545 | 11 | 4 | 7 | 4.2 | O=[N+]([O-])/C=C(\Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)Nc1cccc(I)c1 | 10.1016/s0960-894x(00)00669-7 | |||
| CHEMBL127428 | 42386 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 545 | 11 | 4 | 7 | 4.2 | O=[N+]([O-])/C=C(\Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)Nc1cccc(I)c1 | 10.1016/s0960-894x(00)00669-7 | |||
| 46881651 | 21190 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 458 | 10 | 3 | 6 | 4.3 | O=C(Cc1nc(-c2ccccc2)cs1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | |||
| CHEMBL1084137 | 21190 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 458 | 10 | 3 | 6 | 4.3 | O=C(Cc1nc(-c2ccccc2)cs1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | |||
| 46881753 | 21585 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 443 | 10 | 3 | 6 | 3.4 | Cn1c(CCC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)nc2ccccc21 | 10.1016/j.bmcl.2010.01.130 | |||
| CHEMBL1085929 | 21585 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 443 | 10 | 3 | 6 | 3.4 | Cn1c(CCC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)nc2ccccc21 | 10.1016/j.bmcl.2010.01.130 | |||
| 2812 | 19119 | 69 | None | None | None | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | |||
| 719 | 19119 | 69 | None | None | None | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | |||
| CHEMBL104 | 19119 | 69 | None | None | None | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | |||
| DB00257 | 19119 | 69 | None | None | None | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | |||
| 5806 | 203226 | 13 | None | None | None | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 247 | 4 | 2 | 2 | 3.0 | CC(C)NCC(O)c1ccc(Cl)c(Cl)c1 | 10.1021/acs.jmedchem.1c01215 | |||
| CHEMBL30816 | 203226 | 13 | None | None | None | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 247 | 4 | 2 | 2 | 3.0 | CC(C)NCC(O)c1ccc(Cl)c(Cl)c1 | 10.1021/acs.jmedchem.1c01215 | |||
| DB12803 | 203226 | 13 | None | None | None | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 247 | 4 | 2 | 2 | 3.0 | CC(C)NCC(O)c1ccc(Cl)c(Cl)c1 | 10.1021/acs.jmedchem.1c01215 | |||
| 5806 | 203226 | 13 | None | None | None | Guinea pig | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 247 | 4 | 2 | 2 | 3.0 | CC(C)NCC(O)c1ccc(Cl)c(Cl)c1 | 10.1021/jm00036a018 | |||
| CHEMBL30816 | 203226 | 13 | None | None | None | Guinea pig | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 247 | 4 | 2 | 2 | 3.0 | CC(C)NCC(O)c1ccc(Cl)c(Cl)c1 | 10.1021/jm00036a018 | |||
| DB12803 | 203226 | 13 | None | None | None | Guinea pig | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 247 | 4 | 2 | 2 | 3.0 | CC(C)NCC(O)c1ccc(Cl)c(Cl)c1 | 10.1021/jm00036a018 | |||
| 24901141 | 142782 | 0 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 531 | 11 | 5 | 6 | 4.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCc4c(Cl)cccc4Cl)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1947157 | 142782 | 0 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 531 | 11 | 5 | 6 | 4.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCc4c(Cl)cccc4Cl)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
| 12582 | 1957 | 29 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | nan | |||
| 2783 | 1957 | 29 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | nan | |||
| 673 | 1957 | 29 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | nan | |||
| CHEMBL49080 | 1957 | 29 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | nan | |||
| DB01407 | 1957 | 29 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | nan | |||
| 44338637 | 219094 | 0 | None | None | None | Guinea pig | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 346 | 7 | 2 | 5 | 2.8 | COC12CCCCC1c1ccccc1/C2=N/OCC(O)CNC(C)C | 10.1021/jm00122a008 | |||
| CHEMBL322130 | 219094 | 0 | None | None | None | Guinea pig | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 346 | 7 | 2 | 5 | 2.8 | COC12CCCCC1c1ccccc1/C2=N/OCC(O)CNC(C)C | 10.1021/jm00122a008 | |||
| 10416656 | 42470 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 636 | 16 | 4 | 8 | 7.2 | CCCCCCCCc1csc(N2CCc3c(N/C(=N/c4ccc(CCNC[C@H](O)c5cccnc5)cc4)NC#N)cccc32)n1 | 10.1016/s0960-894x(00)00669-7 | |||
| CHEMBL127656 | 42470 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 636 | 16 | 4 | 8 | 7.2 | CCCCCCCCc1csc(N2CCc3c(N/C(=N/c4ccc(CCNC[C@H](O)c5cccnc5)cc4)NC#N)cccc32)n1 | 10.1016/s0960-894x(00)00669-7 | |||
| 9831168 | 469590 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 552 | 11 | 6 | 6 | 5.0 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC3NCCc4cc(O)c(O)cc43)cc2)cc1 | 10.1016/s0960-894x(00)00459-5 | |||
| CHEMBL74085 | 469590 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 552 | 11 | 6 | 6 | 5.0 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC3NCCc4cc(O)c(O)cc43)cc2)cc1 | 10.1016/s0960-894x(00)00459-5 | |||
| 12017012 | 200010 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 622 | 12 | 3 | 7 | 6.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(Cc3ccc(C(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
| CHEMBL285520 | 200010 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 622 | 12 | 3 | 7 | 6.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(Cc3ccc(C(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
| 44338131 | 218257 | 0 | None | None | None | Guinea pig | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 360 | 6 | 2 | 5 | 3.2 | COC12CCCCC1c1ccccc1/C2=N/OCC(O)CNC(C)(C)C | 10.1021/jm00122a008 | |||
| CHEMBL320761 | 218257 | 0 | None | None | None | Guinea pig | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 360 | 6 | 2 | 5 | 3.2 | COC12CCCCC1c1ccccc1/C2=N/OCC(O)CNC(C)(C)C | 10.1021/jm00122a008 | |||
| 83111 | 120170 | 49 | None | None | None | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 176 | 1 | 1 | 2 | 1.4 | Cc1cccc(N2CCNCC2)c1 | 10.1021/jm00082a016 | |||
| CHEMBL165175 | 120170 | 49 | None | None | None | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 176 | 1 | 1 | 2 | 1.4 | Cc1cccc(N2CCNCC2)c1 | 10.1021/jm00082a016 | |||
| 415628 | 475032 | 52 | None | None | None | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1ccccc1N1CCNCC1 | 10.1021/jm00082a016 | |||
| CHEMBL9841 | 475032 | 52 | None | None | None | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1ccccc1N1CCNCC1 | 10.1021/jm00082a016 | |||
| 46881981 | 20073 | 0 | None | None | None | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 454 | 11 | 3 | 5 | 4.2 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1CCn1cccc1 | 10.1016/j.bmcl.2010.01.130 | |||
| CHEMBL1078395 | 20073 | 0 | None | None | None | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 454 | 11 | 3 | 5 | 4.2 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1CCn1cccc1 | 10.1016/j.bmcl.2010.01.130 | |||
| 46845698 | 20114 | 0 | None | None | None | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 444 | 9 | 3 | 5 | 4.1 | Cc1ccc(N2CCCC2)c(C(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1 | 10.1016/j.bmcl.2010.01.130 | |||
| CHEMBL1078696 | 20114 | 0 | None | None | None | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 444 | 9 | 3 | 5 | 4.1 | Cc1ccc(N2CCCC2)c(C(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1 | 10.1016/j.bmcl.2010.01.130 | |||
| 10464801 | 25493 | 0 | None | None | None | Guinea pig | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 174 | 6 | 2 | 4 | 0.4 | CCO/N=C/C(O)CNC(C)C | 10.1021/jm00036a018 | |||
| CHEMBL1178754 | 25493 | 0 | None | None | None | Guinea pig | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 174 | 6 | 2 | 4 | 0.4 | CCO/N=C/C(O)CNC(C)C | 10.1021/jm00036a018 | |||
| 16049160 | 136423 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 491 | 15 | 5 | 8 | 3.3 | CCOc1ccc(CCNCCCSCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2011.05.097 | |||
| CHEMBL1807825 | 136423 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 491 | 15 | 5 | 8 | 3.3 | CCOc1ccc(CCNCCCSCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2011.05.097 | |||
| 16049234 | 136426 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 481 | 13 | 5 | 7 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSCCCNCCc3ccccc3Cl)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
| CHEMBL1807828 | 136426 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 481 | 13 | 5 | 7 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSCCCNCCc3ccccc3Cl)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
| 16049374 | 136431 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 481 | 13 | 5 | 7 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCSCCNCCc3cccc(Cl)c3)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
| CHEMBL1807869 | 136431 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 481 | 13 | 5 | 7 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCSCCNCCc3cccc(Cl)c3)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
| 24900811 | 142608 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1ccccc1CNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1945040 | 142608 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1ccccc1CNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2011.10.049 | |||
| 57401436 | 142645 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1ccccc1CNCc1ccc(CCNC[C@@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1945504 | 142645 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1ccccc1CNCc1ccc(CCNC[C@@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2011.10.049 | |||
| 1800 | 473856 | 65 | None | None | None | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | |||
| 4189 | 473856 | 65 | None | None | None | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | |||
| CHEMBL91 | 473856 | 65 | None | None | None | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | |||
| DB01110 | 473856 | 65 | None | None | None | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | |||
| 3198 | 461850 | 54 | None | None | None | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
| 983 | 461850 | 54 | None | None | None | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
| CHEMBL808 | 461850 | 54 | None | None | None | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
| DB01127 | 461850 | 54 | None | None | None | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
| 10054896 | 233161 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 639 | 13 | 3 | 9 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3ccc(OC(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
| CHEMBL33292 | 233161 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 639 | 13 | 3 | 9 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3ccc(OC(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
| 12049918 | 202299 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 624 | 12 | 3 | 9 | 4.9 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(-c3ccc(OC(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | |||
| CHEMBL302893 | 202299 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 624 | 12 | 3 | 9 | 4.9 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(-c3ccc(OC(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | |||
| 44307379 | 468642 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 427 | 11 | 3 | 6 | 2.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1)c1ccccc1 | 10.1016/s0960-894x(98)00381-3 | |||
| CHEMBL67251 | 468642 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 427 | 11 | 3 | 6 | 2.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1)c1ccccc1 | 10.1016/s0960-894x(98)00381-3 | |||
| 44307378 | 468783 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 478 | 11 | 3 | 7 | 3.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1)c1cnc2ccccc2c1 | 10.1016/s0960-894x(98)00381-3 | |||
| CHEMBL68334 | 468783 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 478 | 11 | 3 | 7 | 3.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1)c1cnc2ccccc2c1 | 10.1016/s0960-894x(98)00381-3 | |||
| 44338562 | 23732 | 0 | None | None | None | Guinea pig | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 482 | 11 | 2 | 7 | 4.1 | COc1cc(CCNCC(O)CO/N=C2/c3ccccc3C3CCCCCC23OC)cc(OC)c1 | 10.1021/jm00122a008 | |||
| CHEMBL111706 | 23732 | 0 | None | None | None | Guinea pig | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 482 | 11 | 2 | 7 | 4.1 | COc1cc(CCNCC(O)CO/N=C2/c3ccccc3C3CCCCCC23OC)cc(OC)c1 | 10.1021/jm00122a008 | |||
| 44301842 | 424250 | 0 | None | None | None | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 606 | 11 | 3 | 7 | 6.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc4ccccc4c3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
| CHEMBL58407 | 424250 | 0 | None | None | None | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 606 | 11 | 3 | 7 | 6.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc4ccccc4c3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
| 80447 | 120024 | 66 | None | None | None | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 207 | 2 | 1 | 4 | 1.0 | O=[N+]([O-])c1ccc(N2CCNCC2)cc1 | 10.1021/jm00082a016 | |||
| CHEMBL165012 | 120024 | 66 | None | None | None | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 207 | 2 | 1 | 4 | 1.0 | O=[N+]([O-])c1ccc(N2CCNCC2)cc1 | 10.1021/jm00082a016 | |||
| 46881899 | 22106 | 0 | None | None | None | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 437 | 9 | 3 | 4 | 4.9 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2010.01.130 | |||
| CHEMBL1089395 | 22106 | 0 | None | None | None | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 437 | 9 | 3 | 4 | 4.9 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2010.01.130 | |||
| 2249 | 1058 | 67 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | nan | |||
| 255 | 1058 | 67 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | nan | |||
| 548 | 1058 | 67 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | nan | |||
| CHEMBL24 | 1058 | 67 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | nan | |||
| DB00335 | 1058 | 67 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | nan | |||
| 76332892 | 215601 | 0 | None | None | None | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 528 | 7 | 3 | 6 | 5.4 | O=C(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)N2)cc1)[C@@H]1CCc2sc(-c3ccc(F)cc3)nc21 | 10.1021/jm4017224 | |||
| CHEMBL3128185 | 215601 | 0 | None | None | None | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 528 | 7 | 3 | 6 | 5.4 | O=C(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)N2)cc1)[C@@H]1CCc2sc(-c3ccc(F)cc3)nc21 | 10.1021/jm4017224 | |||
| 10375227 | 25497 | 0 | None | None | None | Guinea pig | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 188 | 5 | 2 | 4 | 0.8 | C/C=N/OCC(O)CNC(C)(C)C | 10.1021/jm00036a018 | |||
| CHEMBL1178761 | 25497 | 0 | None | None | None | Guinea pig | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 188 | 5 | 2 | 4 | 0.8 | C/C=N/OCC(O)CNC(C)(C)C | 10.1021/jm00036a018 | |||
| 10012704 | 25501 | 0 | None | None | None | Guinea pig | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 188 | 5 | 2 | 4 | 0.8 | CCO/N=C/C(O)CNC(C)(C)C | 10.1021/jm00036a018 | |||
| CHEMBL1178768 | 25501 | 0 | None | None | None | Guinea pig | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 188 | 5 | 2 | 4 | 0.8 | CCO/N=C/C(O)CNC(C)(C)C | 10.1021/jm00036a018 | |||
| 44268308 | 41974 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 472 | 12 | 4 | 7 | 2.8 | COc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
| CHEMBL12686 | 41974 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 472 | 12 | 4 | 7 | 2.8 | COc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
| 46881698 | 21490 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 458 | 10 | 3 | 5 | 2.9 | O=C(CN1CC(c2ccccc2)CC1=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | |||
| CHEMBL1085444 | 21490 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 458 | 10 | 3 | 5 | 2.9 | O=C(CN1CC(c2ccccc2)CC1=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | |||
| 44298288 | 201701 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 441 | 9 | 1 | 5 | 5.8 | CCCCCCc1csc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1 | 10.1016/s0960-894x(99)00277-2 | |||
| CHEMBL298594 | 201701 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 441 | 9 | 1 | 5 | 5.8 | CCCCCCc1csc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1 | 10.1016/s0960-894x(99)00277-2 | |||
| 44298515 | 392007 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 436 | 9 | 1 | 5 | 5.1 | CCCCCCc1ccnc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1 | 10.1016/s0960-894x(99)00277-2 | |||
| CHEMBL55852 | 392007 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 436 | 9 | 1 | 5 | 5.1 | CCCCCCc1ccnc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1 | 10.1016/s0960-894x(99)00277-2 | |||
| 44457929 | 175734 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 593 | 17 | 3 | 10 | 3.9 | CCCCCCCCn1nnn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00182-1 | |||
| CHEMBL22318 | 175734 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 593 | 17 | 3 | 10 | 3.9 | CCCCCCCCn1nnn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00182-1 | |||
| 91965 | 474883 | 53 | None | None | None | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 176 | 1 | 1 | 2 | 1.4 | Cc1ccccc1N1CCNCC1 | 10.1021/jm00082a016 | |||
| CHEMBL9746 | 474883 | 53 | None | None | None | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 176 | 1 | 1 | 2 | 1.4 | Cc1ccccc1N1CCNCC1 | 10.1021/jm00082a016 | |||
| 145946965 | 332366 | 0 | None | None | None | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 431 | 6 | 1 | 7 | 2.9 | O=c1c2ccccc2oc2c(OCC(O)CN3CCN(c4ccccn4)CC3)cccc12 | 10.1016/j.bmc.2018.04.038 | |||
| CHEMBL4300897 | 332366 | 0 | None | None | None | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 431 | 6 | 1 | 7 | 2.9 | O=c1c2ccccc2oc2c(OCC(O)CN3CCN(c4ccccn4)CC3)cccc12 | 10.1016/j.bmc.2018.04.038 | |||
| 2464 | 7398 | 37 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | nan | |||
| 5253 | 7398 | 37 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | nan | |||
| 7297 | 7398 | 37 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | nan | |||
| CHEMBL471 | 7398 | 37 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | nan | |||
| DB00489 | 7398 | 37 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | nan | |||
| 44268249 | 43364 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 331 | 9 | 4 | 5 | 2.4 | C[C@@H](CCc1ccc(O)cc1)NC[C@H](O)COc1ccc(O)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
| CHEMBL12994 | 43364 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 331 | 9 | 4 | 5 | 2.4 | C[C@@H](CCc1ccc(O)cc1)NC[C@H](O)COc1ccc(O)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
| 44268495 | 58722 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 612 | 19 | 6 | 7 | 5.2 | CCCCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
| CHEMBL13467 | 58722 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 612 | 19 | 6 | 7 | 5.2 | CCCCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
| 44268496 | 198648 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 542 | 13 | 6 | 7 | 3.3 | CC(C)NC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
| CHEMBL275291 | 198648 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 542 | 13 | 6 | 7 | 3.3 | CC(C)NC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
| 44268320 | 42286 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 456 | 11 | 4 | 6 | 3.1 | Cc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
| CHEMBL12718 | 42286 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 456 | 11 | 4 | 6 | 3.1 | Cc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
| 44301618 | 427760 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 574 | 11 | 3 | 7 | 5.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(F)cc3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
| CHEMBL58798 | 427760 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 574 | 11 | 3 | 7 | 5.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(F)cc3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
| 46881618 | 22330 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 458 | 10 | 3 | 6 | 4.3 | O=C(Cc1csc(-c2ccccc2)n1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | |||
| CHEMBL1090746 | 22330 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 458 | 10 | 3 | 6 | 4.3 | O=C(Cc1csc(-c2ccccc2)n1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | |||
| 44298769 | 394202 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 457 | 12 | 1 | 5 | 6.6 | CCCCCCCCc1csc(N(C)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)n1 | 10.1016/s0960-894x(99)00277-2 | |||
| CHEMBL56767 | 394202 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 457 | 12 | 1 | 5 | 6.6 | CCCCCCCCc1csc(N(C)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)n1 | 10.1016/s0960-894x(99)00277-2 | |||
| 97478 | 24232 | 53 | None | None | None | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1ccc(N2CCNCC2)cc1 | 10.1021/jm00082a016 | |||
| CHEMBL114478 | 24232 | 53 | None | None | None | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1ccc(N2CCNCC2)cc1 | 10.1021/jm00082a016 | |||
| 10103956 | 25480 | 0 | None | None | None | Guinea pig | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 188 | 7 | 2 | 4 | 0.8 | CC/C=N/OCC(O)CNC(C)C | 10.1021/jm00036a018 | |||
| CHEMBL1178707 | 25480 | 0 | None | None | None | Guinea pig | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 188 | 7 | 2 | 4 | 0.8 | CC/C=N/OCC(O)CNC(C)C | 10.1021/jm00036a018 | |||
| 9990035 | 26293 | 0 | None | None | None | Guinea pig | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 188 | 7 | 2 | 4 | 0.8 | CCCO/N=C/C(O)CNC(C)C | 10.1021/jm00036a018 | |||
| CHEMBL1183337 | 26293 | 0 | None | None | None | Guinea pig | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 188 | 7 | 2 | 4 | 0.8 | CCCO/N=C/C(O)CNC(C)C | 10.1021/jm00036a018 | |||
| 16049450 | 136425 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 481 | 13 | 5 | 7 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSCCCNCCc3cccc(Cl)c3)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
| CHEMBL1807827 | 136425 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 481 | 13 | 5 | 7 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSCCCNCCc3cccc(Cl)c3)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
| 56670158 | 136428 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 497 | 13 | 5 | 7 | 2.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCC[S+]([O-])CCCNCCc3cccc(Cl)c3)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
| CHEMBL1807830 | 136428 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 497 | 13 | 5 | 7 | 2.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCC[S+]([O-])CCCNCCc3cccc(Cl)c3)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
| 24901210 | 142572 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 497 | 11 | 5 | 6 | 4.1 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCc4ccccc4Cl)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1944690 | 142572 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 497 | 11 | 5 | 6 | 4.1 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCc4ccccc4Cl)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
| 24900685 | 142601 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 464 | 11 | 5 | 7 | 2.9 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCc4ccccn4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1945033 | 142601 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 464 | 11 | 5 | 7 | 2.9 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCc4ccccn4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
| 24901283 | 142626 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 417 | 11 | 5 | 7 | 1.9 | COCCNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1945292 | 142626 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 417 | 11 | 5 | 7 | 1.9 | COCCNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | |||
| 10282871 | 40435 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 636 | 16 | 4 | 8 | 7.2 | CCCCCCCCc1csc(N2CCc3cc(N/C(=N/c4ccc(CCNC[C@H](O)c5cccnc5)cc4)NC#N)ccc32)n1 | 10.1016/s0960-894x(00)00669-7 | |||
| CHEMBL123745 | 40435 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 636 | 16 | 4 | 8 | 7.2 | CCCCCCCCc1csc(N2CCc3cc(N/C(=N/c4ccc(CCNC[C@H](O)c5cccnc5)cc4)NC#N)ccc32)n1 | 10.1016/s0960-894x(00)00669-7 | |||
| 44335534 | 19165 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 559 | 13 | 5 | 6 | 4.1 | O=C(NCCc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | |||
| CHEMBL104193 | 19165 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 559 | 13 | 5 | 6 | 4.1 | O=C(NCCc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | |||
| 44338543 | 20271 | 0 | None | None | None | Guinea pig | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 374 | 6 | 2 | 5 | 3.6 | COC12CCCCCC1c1ccccc1/C2=N/OCC(O)CNC(C)(C)C | 10.1021/jm00122a008 | |||
| CHEMBL107981 | 20271 | 0 | None | None | None | Guinea pig | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 374 | 6 | 2 | 5 | 3.6 | COC12CCCCCC1c1ccccc1/C2=N/OCC(O)CNC(C)(C)C | 10.1021/jm00122a008 | |||
| 131847 | 118893 | 3 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 388 | 6 | 3 | 5 | 1.3 | CS(=O)(=O)Nc1ccc(C(=O)NCC2CN(c3ccccc3)CCN2)cc1 | 10.1021/jm00082a016 | |||
| CHEMBL162513 | 118893 | 3 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 388 | 6 | 3 | 5 | 1.3 | CS(=O)(=O)Nc1ccc(C(=O)NCC2CN(c3ccccc3)CCN2)cc1 | 10.1021/jm00082a016 | |||
| 44301819 | 201199 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 612 | 11 | 3 | 7 | 6.8 | CC(C)(C)c1ccc(-c2csc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)n2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
| CHEMBL294753 | 201199 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 612 | 11 | 3 | 7 | 6.8 | CC(C)(C)c1ccc(-c2csc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)n2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
| 208932 | 27811 | 6 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 446 | 12 | 3 | 8 | 1.7 | CS(=O)(=O)Nc1ccc(OC[C@@H](O)CNCCOc2ccc(-n3ccnc3)cc2)cc1 | 10.1021/jm00172a033 | |||
| CHEMBL1193886 | 27811 | 6 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 446 | 12 | 3 | 8 | 1.7 | CS(=O)(=O)Nc1ccc(OC[C@@H](O)CNCCOc2ccc(-n3ccnc3)cc2)cc1 | 10.1021/jm00172a033 | |||
| 44281531 | 200676 | 0 | None | None | None | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 601 | 13 | 3 | 9 | 5.1 | CSc1ccc(Cc2nc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
| CHEMBL291246 | 200676 | 0 | None | None | None | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 601 | 13 | 3 | 9 | 5.1 | CSc1ccc(Cc2nc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
| 46881796 | 19930 | 0 | None | None | None | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 401 | 8 | 3 | 6 | 2.8 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1cccc2ccnn12 | 10.1016/j.bmcl.2010.01.130 | |||
| CHEMBL1077273 | 19930 | 0 | None | None | None | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 401 | 8 | 3 | 6 | 2.8 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1cccc2ccnn12 | 10.1016/j.bmcl.2010.01.130 | |||
| 2249 | 1058 | 67 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1016/j.bmc.2010.07.034 | |||
| 255 | 1058 | 67 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1016/j.bmc.2010.07.034 | |||
| 548 | 1058 | 67 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1016/j.bmc.2010.07.034 | |||
| CHEMBL24 | 1058 | 67 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1016/j.bmc.2010.07.034 | |||
| DB00335 | 1058 | 67 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1016/j.bmc.2010.07.034 | |||
| 16118894 | 4572 | 6 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 568 | 11 | 4 | 6 | 3.4 | O[C@H](COc1ccc(cc1)O)CNCCc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)I | 10.1016/s0960-894x(98)00381-3 | |||
| 3467 | 4572 | 6 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 568 | 11 | 4 | 6 | 3.4 | O[C@H](COc1ccc(cc1)O)CNCCc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)I | 10.1016/s0960-894x(98)00381-3 | |||
| CHEMBL276257 | 4572 | 6 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 568 | 11 | 4 | 6 | 3.4 | O[C@H](COc1ccc(cc1)O)CNCCc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)I | 10.1016/s0960-894x(98)00381-3 | |||
| 16118894 | 4572 | 6 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 568 | 11 | 4 | 6 | 3.4 | O[C@H](COc1ccc(cc1)O)CNCCc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)I | 10.1016/s0960-894x(98)00169-3 | |||
| 3467 | 4572 | 6 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 568 | 11 | 4 | 6 | 3.4 | O[C@H](COc1ccc(cc1)O)CNCCc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)I | 10.1016/s0960-894x(98)00169-3 | |||
| CHEMBL276257 | 4572 | 6 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 568 | 11 | 4 | 6 | 3.4 | O[C@H](COc1ccc(cc1)O)CNCCc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)I | 10.1016/s0960-894x(98)00169-3 | |||
| 11758172 | 201076 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 592 | 11 | 3 | 7 | 5.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(F)c(F)c3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
| CHEMBL293994 | 201076 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 592 | 11 | 3 | 7 | 5.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(F)c(F)c3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
| 14998849 | 119314 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 418 | 7 | 3 | 6 | 1.3 | COc1cccc(N2CCNC(CNC(=O)c3ccc(NS(C)(=O)=O)cc3)C2)c1 | 10.1021/jm00082a016 | |||
| CHEMBL163587 | 119314 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 418 | 7 | 3 | 6 | 1.3 | COc1cccc(N2CCNC(CNC(=O)c3ccc(NS(C)(=O)=O)cc3)C2)c1 | 10.1021/jm00082a016 | |||
| 11758172 | 201076 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 592 | 11 | 3 | 7 | 5.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(F)c(F)c3)cs2)cc1 | 10.1021/jm000286i | |||
| CHEMBL293994 | 201076 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 592 | 11 | 3 | 7 | 5.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(F)c(F)c3)cs2)cc1 | 10.1021/jm000286i | |||
| 46881983 | 20099 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 477 | 9 | 4 | 5 | 4.7 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1-c1nc2ccccc2[nH]1 | 10.1016/j.bmcl.2010.01.130 | |||
| CHEMBL1078575 | 20099 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 477 | 9 | 4 | 5 | 4.7 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1-c1nc2ccccc2[nH]1 | 10.1016/j.bmcl.2010.01.130 | |||
| 208932 | 27811 | 6 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 446 | 12 | 3 | 8 | 1.7 | CS(=O)(=O)Nc1ccc(OC[C@@H](O)CNCCOc2ccc(-n3ccnc3)cc2)cc1 | 10.1021/jm00166a002 | |||
| CHEMBL1193886 | 27811 | 6 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 446 | 12 | 3 | 8 | 1.7 | CS(=O)(=O)Nc1ccc(OC[C@@H](O)CNCCOc2ccc(-n3ccnc3)cc2)cc1 | 10.1021/jm00166a002 | |||
| 71612644 | 270864 | 0 | None | None | None | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 303 | 7 | 2 | 5 | 0.5 | N#CC1CCCN1C(=O)CNCC(O)COc1ccccc1 | nan | |||
| CHEMBL3704833 | 270864 | 0 | None | None | None | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 303 | 7 | 2 | 5 | 0.5 | N#CC1CCCN1C(=O)CNCC(O)COc1ccccc1 | nan | |||
| 1016 | 8173 | 46 | None | None | None | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
| 2561 | 8173 | 46 | None | None | None | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
| 2733526 | 8173 | 46 | None | None | None | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
| CHEMBL83 | 8173 | 46 | None | None | None | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
| DB00675 | 8173 | 46 | None | None | None | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
| 2247 | 1042 | 63 | None | None | None | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
| 249 | 1042 | 63 | None | None | None | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
| 2603 | 1042 | 63 | None | None | None | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
| CHEMBL296419 | 1042 | 63 | None | None | None | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
| DB00637 | 1042 | 63 | None | None | None | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
| 2249 | 1058 | 67 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm701575k | |||
| 255 | 1058 | 67 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm701575k | |||
| 548 | 1058 | 67 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm701575k | |||
| CHEMBL24 | 1058 | 67 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm701575k | |||
| DB00335 | 1058 | 67 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm701575k | |||
| 1786 | 5120 | 49 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | nan | |||
| 4171 | 5120 | 49 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | nan | |||
| 553 | 5120 | 49 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | nan | |||
| CHEMBL13 | 5120 | 49 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | nan | |||
| DB00264 | 5120 | 49 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | nan | |||
| 145946488 | 332309 | 0 | None | None | None | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 435 | 10 | 2 | 7 | 3.4 | COc1ccccc1OCCNCC(O)COc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2018.04.038 | |||
| CHEMBL4300195 | 332309 | 0 | None | None | None | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 435 | 10 | 2 | 7 | 3.4 | COc1ccccc1OCCNCC(O)COc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2018.04.038 | |||
| 145947665 | 332451 | 0 | None | None | None | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 405 | 8 | 2 | 6 | 3.5 | COc1ccccc1CNCC(O)COc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2018.04.038 | |||
| CHEMBL4302144 | 332451 | 0 | None | None | None | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 405 | 8 | 2 | 6 | 3.5 | COc1ccccc1CNCC(O)COc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2018.04.038 | |||
| 2303 | 6476 | 48 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00172a033 | |||
| 4946 | 6476 | 48 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00172a033 | |||
| 564 | 6476 | 48 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00172a033 | |||
| 63 | 6476 | 48 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00172a033 | |||
| 91536 | 6476 | 48 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00172a033 | |||
| CHEMBL27 | 6476 | 48 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00172a033 | |||
| CHEMBL452861 | 6476 | 48 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00172a033 | |||
| DB00571 | 6476 | 48 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00172a033 | |||
| 9933039 | 328052 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 442 | 11 | 4 | 6 | 2.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccccc1 | 10.1016/s0960-894x(98)00169-3 | |||
| CHEMBL417613 | 328052 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 442 | 11 | 4 | 6 | 2.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccccc1 | 10.1016/s0960-894x(98)00169-3 | |||
| 44349356 | 235852 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 469 | 11 | 4 | 7 | 4.7 | O=[N+]([O-])/C=C(\Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)Nc1cccc2ccccc12 | 10.1016/s0960-894x(00)00669-7 | |||
| CHEMBL338748 | 235852 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 469 | 11 | 4 | 7 | 4.7 | O=[N+]([O-])/C=C(\Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)Nc1cccc2ccccc12 | 10.1016/s0960-894x(00)00669-7 | |||
| 10627736 | 235862 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 624 | 11 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)cc1 | 10.1021/jm000286i | |||
| CHEMBL338794 | 235862 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 624 | 11 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)cc1 | 10.1021/jm000286i | |||
| 44312924 | 329746 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 421 | 6 | 3 | 6 | 4.2 | COc1cc(-c2ccc(CC3NCCc4cc(O)c(O)cc43)cc2)cc(OC)c1OC | 10.1016/s0960-894x(00)00459-5 | |||
| CHEMBL421871 | 329746 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 421 | 6 | 3 | 6 | 4.2 | COc1cc(-c2ccc(CC3NCCc4cc(O)c(O)cc43)cc2)cc(OC)c1OC | 10.1016/s0960-894x(00)00459-5 | |||
| 9826638 | 468328 | 1 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 484 | 12 | 4 | 7 | 3.2 | CC(C)c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(N)nc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | |||
| CHEMBL64760 | 468328 | 1 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 484 | 12 | 4 | 7 | 3.2 | CC(C)c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(N)nc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | |||
| 44298695 | 201077 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 414 | 10 | 1 | 3 | 5.1 | CCCCCCCCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | |||
| CHEMBL294008 | 201077 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 414 | 10 | 1 | 3 | 5.1 | CCCCCCCCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | |||
| 44298843 | 393699 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 435 | 9 | 1 | 4 | 5.7 | CCCCCCc1ccc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)nc1 | 10.1016/s0960-894x(99)00277-2 | |||
| CHEMBL56449 | 393699 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 435 | 9 | 1 | 4 | 5.7 | CCCCCCc1ccc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)nc1 | 10.1016/s0960-894x(99)00277-2 | |||
| 10347866 | 175961 | 1 | None | None | None | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 563 | 15 | 3 | 8 | 4.3 | CCCCCCn1ccn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | |||
| CHEMBL22386 | 175961 | 1 | None | None | None | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 563 | 15 | 3 | 8 | 4.3 | CCCCCCn1ccn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | |||
| 10347866 | 175961 | 1 | None | None | None | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 563 | 15 | 3 | 8 | 4.3 | CCCCCCn1ccn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00072-4 | |||
| CHEMBL22386 | 175961 | 1 | None | None | None | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 563 | 15 | 3 | 8 | 4.3 | CCCCCCn1ccn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00072-4 | |||
| 14664347 | 27884 | 0 | None | None | None | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 474 | 12 | 2 | 8 | 2.0 | Cc1nccn1-c1ccc(OCCNCC(O)COc2ccc(N(C)S(C)(=O)=O)cc2)cc1 | 10.1021/jm00166a002 | |||
| CHEMBL11944 | 27884 | 0 | None | None | None | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 474 | 12 | 2 | 8 | 2.0 | Cc1nccn1-c1ccc(OCCNCC(O)COc2ccc(N(C)S(C)(=O)=O)cc2)cc1 | 10.1021/jm00166a002 | |||
| 44276727 | 197624 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 263 | 6 | 2 | 3 | 2.2 | Cc1ccc(OCC(O)CNC(C)C)c2c1CCC2 | 10.1021/jm00350a009 | |||
| CHEMBL26917 | 197624 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 263 | 6 | 2 | 3 | 2.2 | Cc1ccc(OCC(O)CNC(C)C)c2c1CCC2 | 10.1021/jm00350a009 | |||
| 24900426 | 142605 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 477 | 12 | 5 | 6 | 3.9 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCCc4ccccc4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1945037 | 142605 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 477 | 12 | 5 | 6 | 3.9 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCCc4ccccc4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
| 24901285 | 142631 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 545 | 11 | 5 | 6 | 5.2 | CC(Cc1cccc(CNCCc2c(Cl)cccc2Cl)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1945297 | 142631 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 545 | 11 | 5 | 6 | 5.2 | CC(Cc1cccc(CNCCc2c(Cl)cccc2Cl)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 | 10.1016/j.bmcl.2011.10.049 | |||
| 44268464 | 43264 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 585 | 17 | 5 | 8 | 4.9 | CCCCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
| CHEMBL12939 | 43264 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 585 | 17 | 5 | 8 | 4.9 | CCCCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
| 44268520 | 45089 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 591 | 14 | 5 | 8 | 4.5 | O=C(Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1)OCc1ccccc1 | 10.1016/s0960-894x(98)00170-x | |||
| CHEMBL13132 | 45089 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 591 | 14 | 5 | 8 | 4.5 | O=C(Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1)OCc1ccccc1 | 10.1016/s0960-894x(98)00170-x | |||
| 10746499 | 233469 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 624 | 11 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccccc3C(F)(F)F)cs2)cc1 | 10.1021/jm000286i | |||
| CHEMBL333417 | 233469 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 624 | 11 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccccc3C(F)(F)F)cs2)cc1 | 10.1021/jm000286i | |||
| 46882084 | 20113 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 465 | 11 | 3 | 4 | 5.0 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(CCc2ccccc2)cc1 | 10.1016/j.bmcl.2010.01.130 | |||
| CHEMBL1078695 | 20113 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 465 | 11 | 3 | 4 | 5.0 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(CCc2ccccc2)cc1 | 10.1016/j.bmcl.2010.01.130 | |||
| 46881901 | 22162 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 437 | 9 | 3 | 4 | 4.9 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2ccccc2)cc1 | 10.1016/j.bmcl.2010.01.130 | |||
| CHEMBL1089734 | 22162 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 437 | 9 | 3 | 4 | 4.9 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2ccccc2)cc1 | 10.1016/j.bmcl.2010.01.130 | |||
| 12017007 | 314252 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 576 | 11 | 3 | 7 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(-c3ccc(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
| CHEMBL40898 | 314252 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 576 | 11 | 3 | 7 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(-c3ccc(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
| 44338579 | 328292 | 0 | None | None | None | Guinea pig | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 364 | 7 | 2 | 5 | 3.0 | COC12CCCCC1c1ccc(F)cc1/C2=N/OCC(O)CNC(C)C | 10.1021/jm00122a008 | |||
| CHEMBL418819 | 328292 | 0 | None | None | None | Guinea pig | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 364 | 7 | 2 | 5 | 3.0 | COC12CCCCC1c1ccc(F)cc1/C2=N/OCC(O)CNC(C)C | 10.1021/jm00122a008 | |||
| 44301979 | 201005 | 0 | None | None | None | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 607 | 11 | 3 | 8 | 6.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cnc4ccccc4c3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
| CHEMBL293577 | 201005 | 0 | None | None | None | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 607 | 11 | 3 | 8 | 6.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cnc4ccccc4c3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
| 7096 | 474369 | 65 | None | None | None | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 162 | 1 | 1 | 2 | 1.1 | c1ccc(N2CCNCC2)cc1 | 10.1021/jm00082a016 | |||
| CHEMBL9434 | 474369 | 65 | None | None | None | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 162 | 1 | 1 | 2 | 1.1 | c1ccc(N2CCNCC2)cc1 | 10.1021/jm00082a016 | |||
| 46845699 | 20135 | 0 | None | None | None | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 444 | 9 | 3 | 5 | 4.1 | Cc1ccc(C(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c(N2CCCC2)c1 | 10.1016/j.bmcl.2010.01.130 | |||
| CHEMBL1078876 | 20135 | 0 | None | None | None | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 444 | 9 | 3 | 5 | 4.1 | Cc1ccc(C(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c(N2CCCC2)c1 | 10.1016/j.bmcl.2010.01.130 | |||
| 46881573 | 22589 | 0 | None | None | None | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 415 | 9 | 3 | 6 | 2.9 | O=C(Cn1ncc2ccccc21)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | |||
| CHEMBL1092502 | 22589 | 0 | None | None | None | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 415 | 9 | 3 | 6 | 2.9 | O=C(Cn1ncc2ccccc21)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | |||
| 14739897 | 475161 | 0 | None | None | None | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 419 | 8 | 2 | 6 | 1.9 | Cc1cccc(OCC(O)CN2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)c1 | 10.1021/jm00172a033 | |||
| CHEMBL99331 | 475161 | 0 | None | None | None | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 419 | 8 | 2 | 6 | 1.9 | Cc1cccc(OCC(O)CN2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)c1 | 10.1021/jm00172a033 | |||
| 36811 | 2998 | 34 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | |||
| 535 | 2998 | 34 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | |||
| 937 | 2998 | 34 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | |||
| CHEMBL926 | 2998 | 34 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | |||
| DB00841 | 2998 | 34 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | |||
| 1054 | 3263 | 41 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | nan | |||
| 59768 | 3263 | 41 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | nan | |||
| 7178 | 3263 | 41 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | nan | |||
| CHEMBL768 | 3263 | 41 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | nan | |||
| DB00187 | 3263 | 41 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | nan | |||
| 12043157 | 235643 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 589 | 14 | 3 | 8 | 5.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(CCCC3CCCCC3)n2)cc1 | 10.1016/s0960-894x(00)00267-5 | |||
| CHEMBL33755 | 235643 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 589 | 14 | 3 | 8 | 5.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(CCCC3CCCCC3)n2)cc1 | 10.1016/s0960-894x(00)00267-5 | |||
| 24900749 | 142625 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 493 | 11 | 4 | 7 | 3.8 | COc1ccccc1CN(C)Cc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1945291 | 142625 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 493 | 11 | 4 | 7 | 3.8 | COc1ccccc1CN(C)Cc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | |||
| 57400229 | 142632 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 497 | 12 | 5 | 7 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCOc3cccc(CNCCc4ccccc4F)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1945298 | 142632 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 497 | 12 | 5 | 7 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCOc3cccc(CNCCc4ccccc4F)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
| 10346448 | 238543 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 515 | 11 | 4 | 6 | 3.8 | Cc1ccc(S(=O)(=O)NC(=O)Cc2ccc(NC[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm0101500 | |||
| CHEMBL348501 | 238543 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 515 | 11 | 4 | 6 | 3.8 | Cc1ccc(S(=O)(=O)NC(=O)Cc2ccc(NC[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm0101500 | |||
| 70683107 | 145312 | 0 | None | None | None | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 416 | 10 | 5 | 6 | 1.5 | N#Cc1ccc(F)cc1OC[C@@H](O)CNCCNC(=O)Nc1ccc(C(=O)O)cc1 | 10.1021/ml1002458 | |||
| CHEMBL2011221 | 145312 | 0 | None | None | None | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 416 | 10 | 5 | 6 | 1.5 | N#Cc1ccc(F)cc1OC[C@@H](O)CNCCNC(=O)Nc1ccc(C(=O)O)cc1 | 10.1021/ml1002458 | |||
| 70693599 | 145314 | 0 | None | None | None | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 416 | 11 | 4 | 6 | 2.2 | CCOc1ccc(NC(=O)NCCNC[C@H](O)COc2cccc(F)c2C#N)cc1 | 10.1021/ml1002458 | |||
| CHEMBL2011223 | 145314 | 0 | None | None | None | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 416 | 11 | 4 | 6 | 2.2 | CCOc1ccc(NC(=O)NCCNC[C@H](O)COc2cccc(F)c2C#N)cc1 | 10.1021/ml1002458 | |||
| 2303 | 6476 | 48 | None | None | None | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2013.01.025 | |||
| 4946 | 6476 | 48 | None | None | None | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2013.01.025 | |||
| 564 | 6476 | 48 | None | None | None | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2013.01.025 | |||
| 63 | 6476 | 48 | None | None | None | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2013.01.025 | |||
| 91536 | 6476 | 48 | None | None | None | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2013.01.025 | |||
| CHEMBL27 | 6476 | 48 | None | None | None | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2013.01.025 | |||
| CHEMBL452861 | 6476 | 48 | None | None | None | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2013.01.025 | |||
| DB00571 | 6476 | 48 | None | None | None | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2013.01.025 | |||
| 2303 | 6476 | 48 | None | None | None | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
| 4946 | 6476 | 48 | None | None | None | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
| 564 | 6476 | 48 | None | None | None | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
| 63 | 6476 | 48 | None | None | None | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
| 91536 | 6476 | 48 | None | None | None | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
| CHEMBL27 | 6476 | 48 | None | None | None | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
| CHEMBL452861 | 6476 | 48 | None | None | None | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
| DB00571 | 6476 | 48 | None | None | None | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
| 33624 | 8322 | 24 | None | None | None | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | nan | |||
| 4061 | 8322 | 24 | None | None | None | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | nan | |||
| 565 | 8322 | 24 | None | None | None | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | nan | |||
| CHEMBL499 | 8322 | 24 | None | None | None | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | nan | |||
| DB00373 | 8322 | 24 | None | None | None | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | nan | |||
| 70680983 | 145322 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 348 | 8 | 3 | 6 | -0.1 | N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)N1CCOCC1 | 10.1021/ml1002458 | |||
| CHEMBL2011232 | 145322 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 348 | 8 | 3 | 6 | -0.1 | N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)N1CCOCC1 | 10.1021/ml1002458 | |||
| 3931 | 4582 | 43 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 584 | 17 | 6 | 7 | 4.5 | CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)CCNC[C@@H](COc1ccc(cc1)O)O | 10.1016/s0960-894x(98)00170-x | |||
| 9829836 | 4582 | 43 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 584 | 17 | 6 | 7 | 4.5 | CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)CCNC[C@@H](COc1ccc(cc1)O)O | 10.1016/s0960-894x(98)00170-x | |||
| CHEMBL12998 | 4582 | 43 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 584 | 17 | 6 | 7 | 4.5 | CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)CCNC[C@@H](COc1ccc(cc1)O)O | 10.1016/s0960-894x(98)00170-x | |||
| 44268604 | 80091 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 598 | 18 | 6 | 7 | 4.9 | CCCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
| CHEMBL144870 | 80091 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 598 | 18 | 6 | 7 | 4.9 | CCCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
| 44285529 | 297571 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 534 | 14 | 3 | 7 | 5.1 | CCCCCc1ncc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)o1 | 10.1016/s0960-894x(00)00277-8 | |||
| CHEMBL39577 | 297571 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 534 | 14 | 3 | 7 | 5.1 | CCCCCc1ncc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)o1 | 10.1016/s0960-894x(00)00277-8 | |||
| 44335618 | 19127 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 497 | 12 | 5 | 6 | 3.3 | CCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | |||
| CHEMBL104061 | 19127 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 497 | 12 | 5 | 6 | 3.3 | CCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | |||
| 44335560 | 19651 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 469 | 10 | 5 | 6 | 2.5 | CNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | |||
| CHEMBL106746 | 19651 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 469 | 10 | 5 | 6 | 2.5 | CNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | |||
| 44335589 | 218961 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 540 | 15 | 4 | 7 | 4.9 | CCCCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | |||
| CHEMBL321957 | 218961 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 540 | 15 | 4 | 7 | 4.9 | CCCCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | |||
| 1346 | 172 | 66 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 192 | 2 | 1 | 3 | 1.1 | COc1ccccc1N1CCNCC1 | 10.1021/jm00082a016 | |||
| 280 | 172 | 66 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 192 | 2 | 1 | 3 | 1.1 | COc1ccccc1N1CCNCC1 | 10.1021/jm00082a016 | |||
| 9899402 | 172 | 66 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 192 | 2 | 1 | 3 | 1.1 | COc1ccccc1N1CCNCC1 | 10.1021/jm00082a016 | |||
| CHEMBL9666 | 172 | 66 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 192 | 2 | 1 | 3 | 1.1 | COc1ccccc1N1CCNCC1 | 10.1021/jm00082a016 | |||
| 1355 | 4109 | 38 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1021/jm00082a016 | |||
| 142 | 4109 | 38 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1021/jm00082a016 | |||
| 7153 | 4109 | 38 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1021/jm00082a016 | |||
| CHEMBL478 | 4109 | 38 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1021/jm00082a016 | |||
| DB12110 | 4109 | 38 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1021/jm00082a016 | |||
| 10438390 | 468420 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 590 | 12 | 3 | 8 | 4.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3ccc(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | |||
| CHEMBL65513 | 468420 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 590 | 12 | 3 | 8 | 4.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3ccc(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | |||
| 44281344 | 200031 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 628 | 14 | 4 | 10 | 4.3 | CC(=O)Nc1ccc(OCc2nc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
| CHEMBL285704 | 200031 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 628 | 14 | 4 | 10 | 4.3 | CC(=O)Nc1ccc(OCc2nc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
| 44281255 | 234434 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 639 | 13 | 3 | 9 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3cccc(OC(F)(F)F)c3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
| CHEMBL33515 | 234434 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 639 | 13 | 3 | 9 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3cccc(OC(F)(F)F)c3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
| 44281384 | 238076 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 601 | 14 | 3 | 10 | 4.4 | COc1ccc(OCc2nc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
| CHEMBL34406 | 238076 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 601 | 14 | 3 | 10 | 4.4 | COc1ccc(OCc2nc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
| 44281467 | 238125 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 648 | 14 | 4 | 10 | 3.8 | CS(=O)(=O)Nc1ccc(Cc2nc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
| CHEMBL34441 | 238125 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 648 | 14 | 4 | 10 | 3.8 | CS(=O)(=O)Nc1ccc(Cc2nc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
| 44281468 | 317392 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 623 | 12 | 3 | 8 | 5.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3ccc(C(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
| CHEMBL415039 | 317392 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 623 | 12 | 3 | 8 | 5.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3ccc(C(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
| 44377513 | 119309 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 592 | 17 | 3 | 9 | 4.5 | CCCCCCCCn1ncn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | |||
| CHEMBL163531 | 119309 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 592 | 17 | 3 | 9 | 4.5 | CCCCCCCCn1ncn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | |||
| 44461717 | 215371 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 577 | 15 | 3 | 8 | 4.6 | CCCCCCn1c(C)cn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | |||
| CHEMBL312546 | 215371 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 577 | 15 | 3 | 8 | 4.6 | CCCCCCn1c(C)cn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | |||
| 44461716 | 470165 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 605 | 17 | 3 | 8 | 5.4 | CCCCCCCCn1c(C)cn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | |||
| CHEMBL79363 | 470165 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 605 | 17 | 3 | 8 | 5.4 | CCCCCCCCn1c(C)cn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | |||
| 44281276 | 200006 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 549 | 15 | 3 | 8 | 4.9 | CCCCCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | |||
| CHEMBL285481 | 200006 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 549 | 15 | 3 | 8 | 4.9 | CCCCCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | |||
| 44281277 | 200350 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 563 | 16 | 3 | 8 | 5.3 | CCCCCCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | |||
| CHEMBL288083 | 200350 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 563 | 16 | 3 | 8 | 5.3 | CCCCCCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | |||
| 44377637 | 118356 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 633 | 14 | 3 | 6 | 5.3 | O=C1N(CCCc2ccc(Cl)cc2)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | |||
| CHEMBL162043 | 118356 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 633 | 14 | 3 | 6 | 5.3 | O=C1N(CCCc2ccc(Cl)cc2)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | |||
| 10841426 | 235754 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 610 | 11 | 3 | 7 | 6.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cc(F)c(F)c(F)c3)cs2)cc1 | 10.1021/jm000286i | |||
| CHEMBL338216 | 235754 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 610 | 11 | 3 | 7 | 6.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cc(F)c(F)c(F)c3)cs2)cc1 | 10.1021/jm000286i | |||
| 9832011 | 215174 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 644 | 13 | 6 | 7 | 6.5 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(OCC4NCCc5cc(O)c(O)cc54)cc3)cc2)cc1 | 10.1016/s0960-894x(00)00459-5 | |||
| CHEMBL312074 | 215174 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 644 | 13 | 6 | 7 | 6.5 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(OCC4NCCc5cc(O)c(O)cc54)cc3)cc2)cc1 | 10.1016/s0960-894x(00)00459-5 | |||
| 44307063 | 468359 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 505 | 11 | 3 | 6 | 3.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1)c1ccc(Br)cc1 | 10.1016/s0960-894x(98)00381-3 | |||
| CHEMBL64935 | 468359 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 505 | 11 | 3 | 6 | 3.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1)c1ccc(Br)cc1 | 10.1016/s0960-894x(98)00381-3 | |||
| 44306979 | 468688 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 476 | 11 | 4 | 7 | 2.7 | Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)cn1 | 10.1016/s0960-894x(98)00381-3 | |||
| CHEMBL67534 | 468688 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 476 | 11 | 4 | 7 | 2.7 | Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)cn1 | 10.1016/s0960-894x(98)00381-3 | |||
| 44306985 | 468709 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 460 | 11 | 4 | 7 | 2.2 | Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cn1 | 10.1016/s0960-894x(98)00381-3 | |||
| CHEMBL67672 | 468709 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 460 | 11 | 4 | 7 | 2.2 | Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cn1 | 10.1016/s0960-894x(98)00381-3 | |||
| 12017005 | 200438 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 560 | 13 | 3 | 7 | 5.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(CCC3CCCC3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
| CHEMBL288917 | 200438 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 560 | 13 | 3 | 7 | 5.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(CCC3CCCC3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
| 12017014 | 200480 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 608 | 12 | 3 | 7 | 5.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(Cc3cc(F)c(F)c(F)c3)o2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
| CHEMBL289316 | 200480 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 608 | 12 | 3 | 7 | 5.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(Cc3cc(F)c(F)c(F)c3)o2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
| 44285225 | 309681 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 562 | 13 | 3 | 7 | 5.8 | CC(C)(C)CCCc1ncc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)o1 | 10.1016/s0960-894x(00)00277-8 | |||
| CHEMBL39804 | 309681 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 562 | 13 | 3 | 7 | 5.8 | CC(C)(C)CCCc1ncc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)o1 | 10.1016/s0960-894x(00)00277-8 | |||
| 44268327 | 198581 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 448 | 11 | 4 | 6 | 3.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)C1CCCCC1 | 10.1016/s0960-894x(98)00169-3 | |||
| CHEMBL274807 | 198581 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 448 | 11 | 4 | 6 | 3.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)C1CCCCC1 | 10.1016/s0960-894x(98)00169-3 | |||
| 44335497 | 19161 | 0 | None | None | None | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 397 | 9 | 3 | 5 | 2.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1 | 10.1016/s0960-894x(98)00571-x | |||
| CHEMBL104180 | 19161 | 0 | None | None | None | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 397 | 9 | 3 | 5 | 2.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1 | 10.1016/s0960-894x(98)00571-x | |||
| 10416448 | 468411 | 0 | None | None | None | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 622 | 12 | 3 | 8 | 4.9 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3ccc(C(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | |||
| CHEMBL65461 | 468411 | 0 | None | None | None | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 622 | 12 | 3 | 8 | 4.9 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3ccc(C(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | |||
| 70693598 | 145311 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 416 | 10 | 5 | 6 | 1.5 | N#Cc1c(F)cccc1OC[C@@H](O)CNCCNC(=O)Nc1ccc(C(=O)O)cc1 | 10.1021/ml1002458 | |||
| CHEMBL2011220 | 145311 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 416 | 10 | 5 | 6 | 1.5 | N#Cc1c(F)cccc1OC[C@@H](O)CNCCNC(=O)Nc1ccc(C(=O)O)cc1 | 10.1021/ml1002458 | |||
| 2249 | 1058 | 67 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1016/j.bmc.2016.03.006 | |||
| 255 | 1058 | 67 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1016/j.bmc.2016.03.006 | |||
| 548 | 1058 | 67 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1016/j.bmc.2016.03.006 | |||
| CHEMBL24 | 1058 | 67 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1016/j.bmc.2016.03.006 | |||
| DB00335 | 1058 | 67 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1016/j.bmc.2016.03.006 | |||
| 2249 | 1058 | 67 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1016/j.bmc.2016.11.014 | |||
| 255 | 1058 | 67 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1016/j.bmc.2016.11.014 | |||
| 548 | 1058 | 67 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1016/j.bmc.2016.11.014 | |||
| CHEMBL24 | 1058 | 67 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1016/j.bmc.2016.11.014 | |||
| DB00335 | 1058 | 67 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1016/j.bmc.2016.11.014 | |||
| 44280904 | 200141 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 632 | 13 | 3 | 9 | 5.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3ccc(-c4ccccn4)cc3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
| CHEMBL286438 | 200141 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 632 | 13 | 3 | 9 | 5.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3ccc(-c4ccccn4)cc3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
| 12017006 | 200559 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 608 | 11 | 3 | 7 | 6.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(-c3ccc(C(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
| CHEMBL290053 | 200559 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 608 | 11 | 3 | 7 | 6.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(-c3ccc(C(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
| 10483845 | 468119 | 0 | None | None | None | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 608 | 11 | 3 | 8 | 5.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(-c3ccc(C(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | |||
| CHEMBL63760 | 468119 | 0 | None | None | None | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 608 | 11 | 3 | 8 | 5.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(-c3ccc(C(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | |||
| 14664345 | 27510 | 0 | None | None | None | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 460 | 12 | 2 | 8 | 1.7 | CN(c1ccc(OCC(O)CNCCOc2ccc(-n3ccnc3)cc2)cc1)S(C)(=O)=O | 10.1021/jm00166a002 | |||
| CHEMBL1191442 | 27510 | 0 | None | None | None | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 460 | 12 | 2 | 8 | 1.7 | CN(c1ccc(OCC(O)CNCCOc2ccc(-n3ccnc3)cc2)cc1)S(C)(=O)=O | 10.1021/jm00166a002 | |||
| 44268534 | 43220 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 529 | 13 | 5 | 8 | 3.3 | CCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
| CHEMBL12911 | 43220 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 529 | 13 | 5 | 8 | 3.3 | CCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
| 44268478 | 327846 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 561 | 13 | 5 | 7 | 4.0 | O=C(Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1)c1ccccc1 | 10.1016/s0960-894x(98)00170-x | |||
| CHEMBL417250 | 327846 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 561 | 13 | 5 | 7 | 4.0 | O=C(Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1)c1ccccc1 | 10.1016/s0960-894x(98)00170-x | |||
| 44298851 | 200707 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 463 | 11 | 1 | 4 | 6.5 | CCCCCCCCc1cccc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1 | 10.1016/s0960-894x(99)00277-2 | |||
| CHEMBL291467 | 200707 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 463 | 11 | 1 | 4 | 6.5 | CCCCCCCCc1cccc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1 | 10.1016/s0960-894x(99)00277-2 | |||
| 3054 | 315981 | 60 | None | None | None | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | nan | |||
| 448537 | 315981 | 60 | None | None | None | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | nan | |||
| 875 | 315981 | 60 | None | None | None | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | nan | |||
| CHEMBL411 | 315981 | 60 | None | None | None | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | nan | |||
| DB00255 | 315981 | 60 | None | None | None | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | nan | |||
| 14998850 | 238688 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 418 | 7 | 3 | 6 | 1.3 | COc1ccccc1N1CCNC(CNC(=O)c2ccc(NS(C)(=O)=O)cc2)C1 | 10.1021/jm00082a016 | |||
| CHEMBL349978 | 238688 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 418 | 7 | 3 | 6 | 1.3 | COc1ccccc1N1CCNC(CNC(=O)c2ccc(NS(C)(=O)=O)cc2)C1 | 10.1021/jm00082a016 | |||
| 9871525 | 40793 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 526 | 8 | 4 | 5 | 3.7 | N#CN/C(=N\c1cccc(I)c1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | |||
| CHEMBL125168 | 40793 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 526 | 8 | 4 | 5 | 3.7 | N#CN/C(=N\c1cccc(I)c1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | |||
| 14998852 | 118499 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 360 | 6 | 3 | 5 | 1.9 | CS(=O)(=O)Nc1ccc(NCC2CN(c3ccccc3)CCN2)cc1 | 10.1021/jm00082a016 | |||
| CHEMBL162182 | 118499 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 360 | 6 | 3 | 5 | 1.9 | CS(=O)(=O)Nc1ccc(NCC2CN(c3ccccc3)CCN2)cc1 | 10.1021/jm00082a016 | |||
| 9810596 | 40682 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 734 | 11 | 4 | 9 | 8.0 | N#CN/C(=N\c1ccc2c(c1)CCN2c1nc(-c2ccc(OC(F)(F)F)cc2)cs1)Nc1ccc2cc(CCNC[C@H](O)c3cccnc3)ccc2c1 | 10.1016/s0960-894x(00)00669-7 | |||
| CHEMBL124597 | 40682 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 734 | 11 | 4 | 9 | 8.0 | N#CN/C(=N\c1ccc2c(c1)CCN2c1nc(-c2ccc(OC(F)(F)F)cc2)cs1)Nc1ccc2cc(CCNC[C@H](O)c3cccnc3)ccc2c1 | 10.1016/s0960-894x(00)00669-7 | |||
| 10371216 | 199936 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 591 | 12 | 3 | 8 | 4.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3ccc(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
| CHEMBL285001 | 199936 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 591 | 12 | 3 | 8 | 4.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3ccc(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
| 3038500 | 23645 | 11 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 624 | 11 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1021/jm000286i | |||
| CHEMBL111201 | 23645 | 11 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 624 | 11 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1021/jm000286i | |||
| 3038500 | 23645 | 11 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 624 | 11 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.01.130 | |||
| CHEMBL111201 | 23645 | 11 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 624 | 11 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.01.130 | |||
| 25020250 | 39327 | 22 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 388 | 4 | 2 | 6 | 3.8 | c1cc2c(N3CCNCC3)nc(-c3ccnc(NC4CCCCC4)c3)cc2cn1 | 10.1021/jm100075z | |||
| CHEMBL1214998 | 39327 | 22 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 388 | 4 | 2 | 6 | 3.8 | c1cc2c(N3CCNCC3)nc(-c3ccnc(NC4CCCCC4)c3)cc2cn1 | 10.1021/jm100075z | |||
| 10206782 | 40737 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 492 | 10 | 4 | 6 | 4.9 | N#CN/C(=N\c1cccc(Oc2ccccc2)c1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | |||
| CHEMBL124863 | 40737 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 492 | 10 | 4 | 6 | 4.9 | N#CN/C(=N\c1cccc(Oc2ccccc2)c1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | |||
| 44268479 | 44738 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 543 | 13 | 5 | 8 | 3.7 | CC(C)OC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
| CHEMBL13106 | 44738 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 543 | 13 | 5 | 8 | 3.7 | CC(C)OC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
| 10054165 | 175733 | 1 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 591 | 14 | 3 | 6 | 5.0 | O=C1N(CCCC2CCCC2)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | |||
| CHEMBL22317 | 175733 | 1 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 591 | 14 | 3 | 6 | 5.0 | O=C1N(CCCC2CCCC2)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | |||
| 31101 | 1504 | 27 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | |||
| 35 | 1504 | 27 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | |||
| 403 | 1504 | 27 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | |||
| CHEMBL493 | 1504 | 27 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | |||
| DB01200 | 1504 | 27 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | |||
| 46881982 | 20084 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 465 | 11 | 3 | 4 | 5.0 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1CCc1ccccc1 | 10.1016/j.bmcl.2010.01.130 | |||
| CHEMBL1078465 | 20084 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 465 | 11 | 3 | 4 | 5.0 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1CCc1ccccc1 | 10.1016/j.bmcl.2010.01.130 | |||
| 130400 | 473157 | 6 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 446 | 12 | 3 | 8 | 1.7 | CS(=O)(=O)Nc1ccc(OCC(O)CNCCOc2ccc(-n3ccnc3)cc2)cc1 | 10.1021/jm00166a002 | |||
| CHEMBL99585 | 473157 | 6 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 446 | 12 | 3 | 8 | 1.7 | CS(=O)(=O)Nc1ccc(OCC(O)CNCCOc2ccc(-n3ccnc3)cc2)cc1 | 10.1021/jm00166a002 | |||
| 12017011 | 200529 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 590 | 12 | 3 | 7 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(Cc3ccc(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
| CHEMBL289689 | 200529 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 590 | 12 | 3 | 7 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(Cc3ccc(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
| 208932 | 27811 | 6 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 446 | 12 | 3 | 8 | 1.7 | CS(=O)(=O)Nc1ccc(OC[C@@H](O)CNCCOc2ccc(-n3ccnc3)cc2)cc1 | 10.1021/jm00172a033 | |||
| CHEMBL1193886 | 27811 | 6 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 446 | 12 | 3 | 8 | 1.7 | CS(=O)(=O)Nc1ccc(OC[C@@H](O)CNCCOc2ccc(-n3ccnc3)cc2)cc1 | 10.1021/jm00172a033 | |||
| 14739889 | 474640 | 1 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 364 | 9 | 3 | 5 | 1.9 | Cc1cccc(OCC(O)CNCc2ccc(NS(C)(=O)=O)cc2)c1 | 10.1021/jm00172a033 | |||
| CHEMBL95966 | 474640 | 1 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 364 | 9 | 3 | 5 | 1.9 | Cc1cccc(OCC(O)CNCc2ccc(NS(C)(=O)=O)cc2)c1 | 10.1021/jm00172a033 | |||
| 44281424 | 200474 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 587 | 12 | 3 | 9 | 4.2 | O=C(c1ccc(F)cc1)c1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00268-7 | |||
| CHEMBL289249 | 200474 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 587 | 12 | 3 | 9 | 4.2 | O=C(c1ccc(F)cc1)c1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00268-7 | |||
| 44268367 | 44686 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 1.9 | CC(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
| CHEMBL13102 | 44686 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 1.9 | CC(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
| 44268556 | 57830 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 515 | 12 | 5 | 8 | 2.9 | COC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
| CHEMBL13389 | 57830 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 515 | 12 | 5 | 8 | 2.9 | COC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
| 11342656 | 466336 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 634 | 13 | 3 | 7 | 6.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(Cc2nc(Cc3ccc4ccccc4c3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
| CHEMBL61429 | 466336 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 634 | 13 | 3 | 7 | 6.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(Cc2nc(Cc3ccc4ccccc4c3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
| 12049920 | 202692 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 572 | 12 | 3 | 8 | 4.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3ccc(F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | |||
| CHEMBL304298 | 202692 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 572 | 12 | 3 | 8 | 4.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3ccc(F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | |||
| 10258518 | 202056 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 633 | 17 | 3 | 8 | 6.8 | CCCCCCCCc1csc(N2CCc3cc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)ccc32)n1 | 10.1016/s0960-894x(00)00669-7 | |||
| CHEMBL301231 | 202056 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 633 | 17 | 3 | 8 | 6.8 | CCCCCCCCc1csc(N2CCc3cc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)ccc32)n1 | 10.1016/s0960-894x(00)00669-7 | |||
| 44281372 | 200293 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 621 | 13 | 3 | 9 | 5.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(COc3ccc4ccccc4c3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
| CHEMBL287562 | 200293 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 621 | 13 | 3 | 9 | 5.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(COc3ccc4ccccc4c3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
| 44461705 | 470661 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 607 | 17 | 3 | 7 | 4.9 | CCCCCCCCN1C(=O)CN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00073-6 | |||
| CHEMBL83698 | 470661 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 607 | 17 | 3 | 7 | 4.9 | CCCCCCCCN1C(=O)CN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00073-6 | |||
| 10841171 | 235889 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 592 | 11 | 3 | 7 | 5.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(F)cc3F)cs2)cc1 | 10.1021/jm000286i | |||
| CHEMBL338976 | 235889 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 592 | 11 | 3 | 7 | 5.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(F)cc3F)cs2)cc1 | 10.1021/jm000286i | |||
| 44298823 | 201409 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 462 | 11 | 1 | 3 | 7.1 | CCCCCCCCc1cccc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)c1 | 10.1016/s0960-894x(99)00277-2 | |||
| CHEMBL296380 | 201409 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 462 | 11 | 1 | 3 | 7.1 | CCCCCCCCc1cccc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)c1 | 10.1016/s0960-894x(99)00277-2 | |||
| 44281074 | 234116 | 0 | None | None | None | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 549 | 14 | 3 | 9 | 3.7 | CCC(=O)CCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | |||
| CHEMBL33438 | 234116 | 0 | None | None | None | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 549 | 14 | 3 | 9 | 3.7 | CCC(=O)CCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | |||
| 16049090 | 136421 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 447 | 13 | 5 | 7 | 2.9 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSCCCNCCc3ccccc3)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
| CHEMBL1807823 | 136421 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 447 | 13 | 5 | 7 | 2.9 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSCCCNCCc3ccccc3)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
| 24901211 | 142575 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 493 | 12 | 5 | 7 | 3.5 | COc1ccccc1CCNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1944693 | 142575 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 493 | 12 | 5 | 7 | 3.5 | COc1ccccc1CCNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | |||
| 2810 | 139881 | 42 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 213 | 4 | 2 | 2 | 2.4 | CC(C)NCC(O)c1ccccc1Cl | nan | |||
| 714 | 139881 | 42 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 213 | 4 | 2 | 2 | 2.4 | CC(C)NCC(O)c1ccccc1Cl | nan | |||
| CHEMBL1902627 | 139881 | 42 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 213 | 4 | 2 | 2 | 2.4 | CC(C)NCC(O)c1ccccc1Cl | nan | |||
| 70691508 | 145320 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 361 | 9 | 4 | 7 | 1.2 | N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1nccs1 | 10.1021/ml1002458 | |||
| CHEMBL2011229 | 145320 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 361 | 9 | 4 | 7 | 1.2 | N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1nccs1 | 10.1021/ml1002458 | |||
| 2249 | 1058 | 67 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1016/j.ejmech.2013.01.044 | |||
| 255 | 1058 | 67 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1016/j.ejmech.2013.01.044 | |||
| 548 | 1058 | 67 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1016/j.ejmech.2013.01.044 | |||
| CHEMBL24 | 1058 | 67 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1016/j.ejmech.2013.01.044 | |||
| DB00335 | 1058 | 67 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1016/j.ejmech.2013.01.044 | |||
| 44268571 | 58327 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 582 | 13 | 6 | 7 | 4.2 | O=C(Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1)NC1CCCCC1 | 10.1016/s0960-894x(98)00170-x | |||
| CHEMBL13432 | 58327 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 582 | 13 | 6 | 7 | 4.2 | O=C(Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1)NC1CCCCC1 | 10.1016/s0960-894x(98)00170-x | |||
| 12049922 | 202801 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 638 | 13 | 3 | 9 | 4.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3ccc(OC(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | |||
| CHEMBL304991 | 202801 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 638 | 13 | 3 | 9 | 4.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3ccc(OC(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | |||
| 12049916 | 468046 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 576 | 11 | 3 | 8 | 4.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(-c3ccc(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | |||
| CHEMBL63138 | 468046 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 576 | 11 | 3 | 8 | 4.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(-c3ccc(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | |||
| 44281408 | 232363 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 646 | 13 | 4 | 10 | 4.4 | COC(=O)NC(c1ccc(F)cc1)c1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00268-7 | |||
| CHEMBL33155 | 232363 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 646 | 13 | 4 | 10 | 4.4 | COC(=O)NC(c1ccc(F)cc1)c1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00268-7 | |||
| 10651078 | 41809 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 592 | 11 | 3 | 7 | 5.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cccc(F)c3F)cs2)cc1 | 10.1021/jm000286i | |||
| CHEMBL125963 | 41809 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 592 | 11 | 3 | 7 | 5.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cccc(F)c3F)cs2)cc1 | 10.1021/jm000286i | |||
| 14664348 | 27114 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 474 | 12 | 3 | 8 | 2.4 | CC(C)(COc1ccc(-n2ccnc2)cc1)NCC(O)COc1ccc(NS(C)(=O)=O)cc1 | 10.1021/jm00166a002 | |||
| CHEMBL1188606 | 27114 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 474 | 12 | 3 | 8 | 2.4 | CC(C)(COc1ccc(-n2ccnc2)cc1)NCC(O)COc1ccc(NS(C)(=O)=O)cc1 | 10.1021/jm00166a002 | |||
| 44298533 | 389547 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 469 | 11 | 1 | 5 | 6.5 | CCCCCCCCc1csc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1 | 10.1016/s0960-894x(99)00277-2 | |||
| CHEMBL54821 | 389547 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 469 | 11 | 1 | 5 | 6.5 | CCCCCCCCc1csc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1 | 10.1016/s0960-894x(99)00277-2 | |||
| 14998853 | 238808 | 0 | None | None | None | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 360 | 6 | 3 | 5 | 1.9 | CS(=O)(=O)Nc1ccc(NCC2CNCCN2c2ccccc2)cc1 | 10.1021/jm00082a016 | |||
| CHEMBL351183 | 238808 | 0 | None | None | None | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 360 | 6 | 3 | 5 | 1.9 | CS(=O)(=O)Nc1ccc(NCC2CNCCN2c2ccccc2)cc1 | 10.1021/jm00082a016 | |||
| 12043155 | 199931 | 0 | None | None | None | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 549 | 14 | 3 | 8 | 4.8 | CC(C)CCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | |||
| CHEMBL284965 | 199931 | 0 | None | None | None | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 549 | 14 | 3 | 8 | 4.8 | CC(C)CCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | |||
| 10081581 | 25479 | 0 | None | None | None | Rat | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 202 | 6 | 2 | 4 | 1.1 | CC/C=N/OCC(O)CNC(C)(C)C | 10.1021/acs.jmedchem.1c01215 | |||
| CHEMBL1178704 | 25479 | 0 | None | None | None | Rat | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 202 | 6 | 2 | 4 | 1.1 | CC/C=N/OCC(O)CNC(C)(C)C | 10.1021/acs.jmedchem.1c01215 | |||
| 10081581 | 25479 | 0 | None | None | None | Guinea pig | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 202 | 6 | 2 | 4 | 1.1 | CC/C=N/OCC(O)CNC(C)(C)C | 10.1021/jm00036a018 | |||
| CHEMBL1178704 | 25479 | 0 | None | None | None | Guinea pig | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 202 | 6 | 2 | 4 | 1.1 | CC/C=N/OCC(O)CNC(C)(C)C | 10.1021/jm00036a018 | |||
| 44377753 | 238629 | 0 | None | None | None | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 605 | 12 | 3 | 8 | 4.0 | O=c1n(Cc2ccc(F)c(F)c2)ccn1-c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | |||
| CHEMBL349505 | 238629 | 0 | None | None | None | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 605 | 12 | 3 | 8 | 4.0 | O=c1n(Cc2ccc(F)c(F)c2)ccn1-c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | |||
| 2249 | 1058 | 67 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/acschembio.7b00481 | |||
| 255 | 1058 | 67 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/acschembio.7b00481 | |||
| 548 | 1058 | 67 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/acschembio.7b00481 | |||
| CHEMBL24 | 1058 | 67 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/acschembio.7b00481 | |||
| DB00335 | 1058 | 67 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/acschembio.7b00481 | |||
| 44338499 | 218228 | 0 | None | None | None | Guinea pig | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 346 | 5 | 3 | 5 | 2.6 | CC(C)(C)NCC(O)CO/N=C1/c2ccccc2C2CCCCC12O | 10.1021/jm00122a008 | |||
| CHEMBL320704 | 218228 | 0 | None | None | None | Guinea pig | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 346 | 5 | 3 | 5 | 2.6 | CC(C)(C)NCC(O)CO/N=C1/c2ccccc2C2CCCCC12O | 10.1021/jm00122a008 | |||
| 14664343 | 25386 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 460 | 12 | 3 | 8 | 2.0 | Cc1nccn1-c1ccc(OCCNCC(O)COc2ccc(NS(C)(=O)=O)cc2)cc1 | 10.1021/jm00166a002 | |||
| CHEMBL1178024 | 25386 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 460 | 12 | 3 | 8 | 2.0 | Cc1nccn1-c1ccc(OCCNCC(O)COc2ccc(NS(C)(=O)=O)cc2)cc1 | 10.1021/jm00166a002 | |||
| 12049921 | 468581 | 0 | None | None | None | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 590 | 12 | 3 | 8 | 4.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3c(F)cccc3F)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | |||
| CHEMBL66789 | 468581 | 0 | None | None | None | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 590 | 12 | 3 | 8 | 4.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3c(F)cccc3F)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | |||
| 2447484 | 193822 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 324 | 5 | 2 | 4 | 3.2 | CC(C)(C)NC[C@H](O)CON=C1c2ccccc2-c2ccccc21 | 10.1021/jm00350a009 | |||
| CHEMBL305153 | 193822 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 324 | 5 | 2 | 4 | 3.2 | CC(C)(C)NC[C@H](O)CON=C1c2ccccc2-c2ccccc21 | 10.1021/jm00350a009 | |||
| 10205362 | 235825 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 468 | 8 | 4 | 5 | 4.4 | N#CN/C(=N\c1cc(Cl)cc(Cl)c1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | |||
| CHEMBL338618 | 235825 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 468 | 8 | 4 | 5 | 4.4 | N#CN/C(=N\c1cc(Cl)cc(Cl)c1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | |||
| 44306956 | 468371 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 495 | 11 | 3 | 6 | 3.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(98)00381-3 | |||
| CHEMBL65042 | 468371 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 495 | 11 | 3 | 6 | 3.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(98)00381-3 | |||
| 72548703 | 317107 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 583 | 8 | 3 | 6 | 5.8 | CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12 | 10.1016/j.bmcl.2018.03.093 | |||
| CHEMBL4128926 | 317107 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 583 | 8 | 3 | 6 | 5.8 | CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12 | 10.1016/j.bmcl.2018.03.093 | |||
| 70695718 | 145324 | 0 | None | None | None | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 372 | 10 | 3 | 6 | 1.8 | N#Cc1ccccc1OC[C@@H](O)CNCCCC(=O)Nc1ccc(F)nc1 | 10.1021/ml1002458 | |||
| CHEMBL2011234 | 145324 | 0 | None | None | None | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 372 | 10 | 3 | 6 | 1.8 | N#Cc1ccccc1OC[C@@H](O)CNCCCC(=O)Nc1ccc(F)nc1 | 10.1021/ml1002458 | |||
| 16049026 | 136419 | 0 | None | None | None | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 432 | 13 | 4 | 7 | 2.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCOCCOCCc3ccccc3)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
| CHEMBL1807821 | 136419 | 0 | None | None | None | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 432 | 13 | 4 | 7 | 2.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCOCCOCCc3ccccc3)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
| 16049029 | 136420 | 0 | None | None | None | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 482 | 13 | 4 | 7 | 3.7 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCOCCOCCc3cccc4ccccc34)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
| CHEMBL1807822 | 136420 | 0 | None | None | None | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 482 | 13 | 4 | 7 | 3.7 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCOCCOCCc3cccc4ccccc34)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
| 16049028 | 136417 | 0 | None | None | None | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 462 | 14 | 4 | 7 | 3.7 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCSCCCOCCc3ccccc3)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
| CHEMBL1807819 | 136417 | 0 | None | None | None | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 462 | 14 | 4 | 7 | 3.7 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCSCCCOCCc3ccccc3)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
| 44268568 | 58628 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 570 | 16 | 6 | 7 | 4.1 | CCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
| CHEMBL13459 | 58628 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 570 | 16 | 6 | 7 | 4.1 | CCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
| 44338529 | 218227 | 0 | None | None | None | Guinea pig | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 360 | 7 | 2 | 5 | 3.2 | COC12CCCCCC1c1ccccc1/C2=N/OCC(O)CNC(C)C | 10.1021/jm00122a008 | |||
| CHEMBL320696 | 218227 | 0 | None | None | None | Guinea pig | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 360 | 7 | 2 | 5 | 3.2 | COC12CCCCCC1c1ccccc1/C2=N/OCC(O)CNC(C)C | 10.1021/jm00122a008 | |||
| 44301803 | 332568 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 588 | 12 | 3 | 7 | 5.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(Cc3ccc(F)cc3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
| CHEMBL430594 | 332568 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 588 | 12 | 3 | 7 | 5.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(Cc3ccc(F)cc3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
| 14998846 | 119185 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 374 | 7 | 3 | 5 | 1.6 | CS(=O)(=O)Nc1ccc(CNCC2CN(c3ccccc3)CCN2)cc1 | 10.1021/jm00082a016 | |||
| CHEMBL163153 | 119185 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 374 | 7 | 3 | 5 | 1.6 | CS(=O)(=O)Nc1ccc(CNCC2CN(c3ccccc3)CCN2)cc1 | 10.1021/jm00082a016 | |||
| 12049919 | 468145 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 572 | 12 | 3 | 8 | 4.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3cccc(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | |||
| CHEMBL63963 | 468145 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 572 | 12 | 3 | 8 | 4.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3cccc(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | |||
| 44349323 | 40679 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 437 | 11 | 4 | 7 | 3.7 | O=[N+]([O-])/C=C(\Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)Nc1cccc(F)c1 | 10.1016/s0960-894x(00)00669-7 | |||
| CHEMBL124584 | 40679 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 437 | 11 | 4 | 7 | 3.7 | O=[N+]([O-])/C=C(\Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)Nc1cccc(F)c1 | 10.1016/s0960-894x(00)00669-7 | |||
| 44281530 | 200008 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 609 | 12 | 3 | 8 | 4.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3cc(F)c(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
| CHEMBL285499 | 200008 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 609 | 12 | 3 | 8 | 4.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3cc(F)c(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
| 9938030 | 200204 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 573 | 12 | 3 | 8 | 4.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3ccc(F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
| CHEMBL286859 | 200204 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 573 | 12 | 3 | 8 | 4.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3ccc(F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
| 44281425 | 200475 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 612 | 13 | 4 | 9 | 4.3 | CC(=O)Nc1ccc(Cc2nc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
| CHEMBL289250 | 200475 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 612 | 13 | 4 | 9 | 4.3 | CC(=O)Nc1ccc(Cc2nc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
| 44377687 | 120240 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 579 | 16 | 3 | 6 | 5.0 | CCCCCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00072-4 | |||
| CHEMBL165513 | 120240 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 579 | 16 | 3 | 6 | 5.0 | CCCCCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00072-4 | |||
| 46881700 | 21192 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 443 | 9 | 3 | 7 | 2.3 | O=C(Cn1c(=O)ncc2ccccc21)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | |||
| CHEMBL1084144 | 21192 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 443 | 9 | 3 | 7 | 2.3 | O=C(Cn1c(=O)ncc2ccccc21)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | |||
| 46881529 | 21582 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 375 | 9 | 3 | 4 | 3.1 | O=C(Cc1ccccc1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | |||
| CHEMBL1085898 | 21582 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 375 | 9 | 3 | 4 | 3.1 | O=C(Cc1ccccc1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | |||
| 12017001 | 293743 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 540 | 11 | 3 | 7 | 5.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(-c3ccccc3)o2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
| CHEMBL39269 | 293743 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 540 | 11 | 3 | 7 | 5.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(-c3ccccc3)o2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
| 44298850 | 332907 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 461 | 8 | 1 | 4 | 6.1 | O=S(=O)(Nc1ccccc1)c1ccc2c(c1)CCN2c1cccc(CCCC2CCCC2)n1 | 10.1016/s0960-894x(99)00277-2 | |||
| CHEMBL433252 | 332907 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 461 | 8 | 1 | 4 | 6.1 | O=S(=O)(Nc1ccccc1)c1ccc2c(c1)CCN2c1cccc(CCCC2CCCC2)n1 | 10.1016/s0960-894x(99)00277-2 | |||
| 44298281 | 387205 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 463 | 6 | 1 | 3 | 4.9 | CN(C(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21)C(C)(C)Cc1ccccc1 | 10.1016/s0960-894x(99)00277-2 | |||
| CHEMBL53517 | 387205 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 463 | 6 | 1 | 3 | 4.9 | CN(C(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21)C(C)(C)Cc1ccccc1 | 10.1016/s0960-894x(99)00277-2 | |||
| 44335499 | 19331 | 0 | None | None | None | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 439 | 10 | 3 | 5 | 3.9 | CC(C)c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | |||
| CHEMBL104981 | 19331 | 0 | None | None | None | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 439 | 10 | 3 | 5 | 3.9 | CC(C)c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | |||
| 44335651 | 218165 | 0 | None | None | None | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 431 | 9 | 3 | 5 | 3.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(Cl)cc1 | 10.1016/s0960-894x(98)00571-x | |||
| CHEMBL320228 | 218165 | 0 | None | None | None | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 431 | 9 | 3 | 5 | 3.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(Cl)cc1 | 10.1016/s0960-894x(98)00571-x | |||
| 44302005 | 200712 | 0 | None | None | None | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 595 | 11 | 4 | 7 | 6.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3c[nH]c4ccccc34)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
| CHEMBL291516 | 200712 | 0 | None | None | None | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 595 | 11 | 4 | 7 | 6.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3c[nH]c4ccccc34)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
| 44280957 | 222033 | 0 | None | None | None | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 590 | 13 | 3 | 9 | 3.4 | O=C(CCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1)N1CCCC1 | 10.1016/s0960-894x(00)00267-5 | |||
| CHEMBL32996 | 222033 | 0 | None | None | None | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 590 | 13 | 3 | 9 | 3.4 | O=C(CCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1)N1CCCC1 | 10.1016/s0960-894x(00)00267-5 | |||
| 11819522 | 26288 | 0 | None | None | None | Guinea pig | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 174 | 6 | 2 | 4 | 0.4 | C/C=N/OCC(O)CNC(C)C | 10.1021/jm00036a018 | |||
| CHEMBL1183318 | 26288 | 0 | None | None | None | Guinea pig | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 174 | 6 | 2 | 4 | 0.4 | C/C=N/OCC(O)CNC(C)C | 10.1021/jm00036a018 | |||
| 46881574 | 22102 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 415 | 9 | 3 | 6 | 2.9 | O=C(Cn1cc2ccccc2n1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | |||
| CHEMBL1089386 | 22102 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 415 | 9 | 3 | 6 | 2.9 | O=C(Cn1cc2ccccc2n1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | |||
| 14998847 | 118403 | 0 | None | None | None | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 388 | 6 | 3 | 5 | 1.3 | CS(=O)(=O)Nc1ccc(C(=O)NCC2CNCCN2c2ccccc2)cc1 | 10.1021/jm00082a016 | |||
| CHEMBL162095 | 118403 | 0 | None | None | None | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 388 | 6 | 3 | 5 | 1.3 | CS(=O)(=O)Nc1ccc(C(=O)NCC2CNCCN2c2ccccc2)cc1 | 10.1021/jm00082a016 | |||
| 12017003 | 279114 | 0 | None | None | None | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 576 | 11 | 3 | 7 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(-c3ccc(F)c(F)c3)o2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
| CHEMBL38704 | 279114 | 0 | None | None | None | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 576 | 11 | 3 | 7 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(-c3ccc(F)c(F)c3)o2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
| 319 | 7908 | 34 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2011.05.097 | |||
| 444031 | 7908 | 34 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2011.05.097 | |||
| 784 | 7908 | 34 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2011.05.097 | |||
| CHEMBL1346 | 7908 | 34 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2011.05.097 | |||
| 4183 | 4137 | 48 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1016/j.bmcl.2011.10.049 | |||
| 6918554 | 4137 | 48 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1016/j.bmcl.2011.10.049 | |||
| 7455 | 4137 | 48 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1095777 | 4137 | 48 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1016/j.bmcl.2011.10.049 | |||
| DB05039 | 4137 | 48 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1016/j.bmcl.2011.10.049 | |||
| 24901351 | 142576 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 493 | 12 | 5 | 7 | 3.5 | COc1ccccc1CCNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1944694 | 142576 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 493 | 12 | 5 | 7 | 3.5 | COc1ccccc1CCNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2011.10.049 | |||
| 24901413 | 142600 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 516 | 11 | 6 | 6 | 4.3 | Cc1cccc2c(CCNCc3ccc(CCNC[C@H](O)c4ccc(O)c5[nH]c(=O)sc45)cc3)c[nH]c12 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1945032 | 142600 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 516 | 11 | 6 | 6 | 4.3 | Cc1cccc2c(CCNCc3ccc(CCNC[C@H](O)c4ccc(O)c5[nH]c(=O)sc45)cc3)c[nH]c12 | 10.1016/j.bmcl.2011.10.049 | |||
| 24900937 | 142628 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 413 | 8 | 4 | 6 | 2.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CN4CCCC4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1945294 | 142628 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 413 | 8 | 4 | 6 | 2.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CN4CCCC4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
| 57401435 | 142644 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 458 | 11 | 5 | 6 | 2.8 | O=c1ccc2c([C@@H](O)CNCCc3cccc(CNCCc4ccccn4)c3)ccc(O)c2[nH]1 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1945503 | 142644 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 458 | 11 | 5 | 6 | 2.8 | O=c1ccc2c([C@@H](O)CNCCc3cccc(CNCCc4ccccn4)c3)ccc(O)c2[nH]1 | 10.1016/j.bmcl.2011.10.049 | |||
| 44298314 | 201294 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 452 | 8 | 1 | 6 | 5.1 | O=S(=O)(Nc1ccccc1)c1ccc2c(c1)CCN2c1noc(CCCC2CCCC2)n1 | 10.1016/s0960-894x(99)00277-2 | |||
| CHEMBL295502 | 201294 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 452 | 8 | 1 | 6 | 5.1 | O=S(=O)(Nc1ccccc1)c1ccc2c(c1)CCN2c1noc(CCCC2CCCC2)n1 | 10.1016/s0960-894x(99)00277-2 | |||
| 11556330 | 328209 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 620 | 12 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(Cc3ccc4ccccc4c3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
| CHEMBL418308 | 328209 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 620 | 12 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(Cc3ccc4ccccc4c3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
| 14998851 | 238749 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 361 | 6 | 2 | 5 | 1.9 | CS(=O)(=O)Nc1ccc(OCC2CN(c3ccccc3)CCN2)cc1 | 10.1021/jm00082a016 | |||
| CHEMBL350581 | 238749 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 361 | 6 | 2 | 5 | 1.9 | CS(=O)(=O)Nc1ccc(OCC2CN(c3ccccc3)CCN2)cc1 | 10.1021/jm00082a016 | |||
| 567 | 1496 | 16 | None | None | None | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm00094a025 | |||
| 9841972 | 1496 | 16 | None | None | None | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm00094a025 | |||
| CHEMBL284782 | 1496 | 16 | None | None | None | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm00094a025 | |||
| 14739901 | 474609 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 419 | 8 | 2 | 6 | 1.9 | Cc1ccccc1OCC(O)CN1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 | 10.1021/jm00172a033 | |||
| CHEMBL95754 | 474609 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 419 | 8 | 2 | 6 | 1.9 | Cc1ccccc1OCC(O)CN1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 | 10.1021/jm00172a033 | |||
| 14739893 | 18627 | 0 | None | None | None | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 416 | 10 | 3 | 7 | 1.8 | CS(=O)(=O)Nc1ccc(OCC(O)CNCc2ccc(-n3ccnc3)cc2)cc1 | 10.1021/jm00172a033 | |||
| CHEMBL100624 | 18627 | 0 | None | None | None | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 416 | 10 | 3 | 7 | 1.8 | CS(=O)(=O)Nc1ccc(OCC(O)CNCc2ccc(-n3ccnc3)cc2)cc1 | 10.1021/jm00172a033 | |||
| 1499 | 4274 | 42 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | nan | |||
| 3779 | 4274 | 42 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | nan | |||
| 536 | 4274 | 42 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | nan | |||
| CHEMBL434 | 4274 | 42 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | nan | |||
| DB01064 | 4274 | 42 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | nan | |||
| 12828562 | 219267 | 0 | None | None | None | Guinea pig | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 237 | 3 | 3 | 4 | 1.7 | CC(C)NCC1OCCc2cc(O)c(O)cc21 | 10.1021/jm00073a006 | |||
| CHEMBL322842 | 219267 | 0 | None | None | None | Guinea pig | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 237 | 3 | 3 | 4 | 1.7 | CC(C)NCC1OCCc2cc(O)c(O)cc21 | 10.1021/jm00073a006 | |||
| 2303 | 6476 | 48 | None | None | None | Guinea pig | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00073a006 | |||
| 4946 | 6476 | 48 | None | None | None | Guinea pig | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00073a006 | |||
| 564 | 6476 | 48 | None | None | None | Guinea pig | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00073a006 | |||
| 63 | 6476 | 48 | None | None | None | Guinea pig | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00073a006 | |||
| 91536 | 6476 | 48 | None | None | None | Guinea pig | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00073a006 | |||
| CHEMBL27 | 6476 | 48 | None | None | None | Guinea pig | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00073a006 | |||
| CHEMBL452861 | 6476 | 48 | None | None | None | Guinea pig | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00073a006 | |||
| DB00571 | 6476 | 48 | None | None | None | Guinea pig | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00073a006 | |||
| 44338613 | 220881 | 0 | None | None | None | Guinea pig | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 360 | 5 | 3 | 5 | 2.9 | CC(C)(C)NCC(O)CO/N=C1/c2ccccc2C2CCCCCC12O | 10.1021/jm00122a008 | |||
| CHEMBL327091 | 220881 | 0 | None | None | None | Guinea pig | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 360 | 5 | 3 | 5 | 2.9 | CC(C)(C)NCC(O)CO/N=C1/c2ccccc2C2CCCCCC12O | 10.1021/jm00122a008 | |||
| 44268563 | 197500 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 569 | 17 | 5 | 7 | 4.7 | CCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
| CHEMBL268289 | 197500 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 569 | 17 | 5 | 7 | 4.7 | CCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
| 46881699 | 19925 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 443 | 9 | 3 | 7 | 2.3 | O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | |||
| CHEMBL1077238 | 19925 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 443 | 9 | 3 | 7 | 2.3 | O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | |||
| 9873257 | 175899 | 15 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 591 | 14 | 3 | 10 | 3.5 | O=c1n(CCCC2CCCC2)nnn1-c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00182-1 | |||
| CHEMBL22375 | 175899 | 15 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 591 | 14 | 3 | 10 | 3.5 | O=c1n(CCCC2CCCC2)nnn1-c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00182-1 | |||
| 44268632 | 57922 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 514 | 12 | 6 | 7 | 2.5 | CNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
| CHEMBL13398 | 57922 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 514 | 12 | 6 | 7 | 2.5 | CNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
| 44285634 | 200568 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 576 | 17 | 3 | 7 | 6.3 | CCCCCCCCc1ncc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)o1 | 10.1016/s0960-894x(00)00277-8 | |||
| CHEMBL290131 | 200568 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 576 | 17 | 3 | 7 | 6.3 | CCCCCCCCc1ncc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)o1 | 10.1016/s0960-894x(00)00277-8 | |||
| 44281097 | 233737 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 607 | 13 | 3 | 9 | 4.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(COc3ccc(F)c(F)c3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
| CHEMBL33384 | 233737 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 607 | 13 | 3 | 9 | 4.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(COc3ccc(F)c(F)c3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
| 2291 | 6470 | 51 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | |||
| 2561 | 6470 | 51 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | |||
| 4932 | 6470 | 51 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | |||
| CHEMBL631 | 6470 | 51 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | |||
| DB01182 | 6470 | 51 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | |||
| 11811722 | 24366 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 413 | 5 | 1 | 4 | 4.4 | O=C1NCN(c2ccccc2)C12CCN(Cc1cccc(Oc3ccccc3)c1)CC2 | 10.1021/jm010878g | |||
| CHEMBL115280 | 24366 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 413 | 5 | 1 | 4 | 4.4 | O=C1NCN(c2ccccc2)C12CCN(Cc1cccc(Oc3ccccc3)c1)CC2 | 10.1021/jm010878g | |||
| 46881701 | 21193 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 477 | 9 | 3 | 8 | 3.0 | Cc1sc2ncn(CC(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)c(=O)c2c1C | 10.1016/j.bmcl.2010.01.130 | |||
| CHEMBL1084145 | 21193 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 477 | 9 | 3 | 8 | 3.0 | Cc1sc2ncn(CC(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)c(=O)c2c1C | 10.1016/j.bmcl.2010.01.130 | |||
| 44281400 | 219894 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 607 | 13 | 3 | 9 | 4.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(COc3ccc(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
| CHEMBL32411 | 219894 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 607 | 13 | 3 | 9 | 4.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(COc3ccc(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
| 2369 | 1284 | 48 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00350a009 | |||
| 356 | 1284 | 48 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00350a009 | |||
| 549 | 1284 | 48 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00350a009 | |||
| CHEMBL423 | 1284 | 48 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00350a009 | |||
| DB00195 | 1284 | 48 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00350a009 | |||
| 121848 | 251266 | 2 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 324 | 5 | 2 | 4 | 3.2 | CC(C)(C)NCC(O)CON=C1c2ccccc2-c2ccccc21 | 10.1021/jm00350a009 | |||
| CHEMBL368457 | 251266 | 2 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 324 | 5 | 2 | 4 | 3.2 | CC(C)(C)NCC(O)CON=C1c2ccccc2-c2ccccc21 | 10.1021/jm00350a009 | |||
| 21138 | 193677 | 30 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | CC(C)NC[C@@H](O)COc1cccc2ccccc12 | nan | |||
| CHEMBL275742 | 193677 | 30 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | CC(C)NC[C@@H](O)COc1cccc2ccccc12 | nan | |||
| DB03322 | 193677 | 30 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | CC(C)NC[C@@H](O)COc1cccc2ccccc12 | nan | |||
| 44301832 | 451654 | 1 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 592 | 17 | 3 | 7 | 6.8 | CCCCCCCCc1csc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)n1 | 10.1016/s0960-894x(00)00390-5 | |||
| CHEMBL60281 | 451654 | 1 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 592 | 17 | 3 | 7 | 6.8 | CCCCCCCCc1csc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)n1 | 10.1016/s0960-894x(00)00390-5 | |||
| 44285692 | 274633 | 0 | None | None | None | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 478 | 10 | 3 | 7 | 3.7 | Cc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)co1 | 10.1016/s0960-894x(00)00277-8 | |||
| CHEMBL37512 | 274633 | 0 | None | None | None | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 478 | 10 | 3 | 7 | 3.7 | Cc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)co1 | 10.1016/s0960-894x(00)00277-8 | |||
| 44267518 | 27581 | 0 | None | None | None | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 446 | 12 | 3 | 8 | 1.7 | CS(=O)(=O)Nc1ccc(OC[C@H](O)CNCCOc2ccc(-n3ccnc3)cc2)cc1 | 10.1021/jm00172a033 | |||
| CHEMBL1192069 | 27581 | 0 | None | None | None | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 446 | 12 | 3 | 8 | 1.7 | CS(=O)(=O)Nc1ccc(OC[C@H](O)CNCCOc2ccc(-n3ccnc3)cc2)cc1 | 10.1021/jm00172a033 | |||
| 44349367 | 40803 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 487 | 11 | 4 | 7 | 4.9 | O=[N+]([O-])/C=C(\Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)Nc1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(00)00669-7 | |||
| CHEMBL125246 | 40803 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 487 | 11 | 4 | 7 | 4.9 | O=[N+]([O-])/C=C(\Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)Nc1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(00)00669-7 | |||
| 83113 | 120230 | 48 | None | None | None | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 176 | 1 | 1 | 2 | 1.4 | Cc1ccc(N2CCNCC2)cc1 | 10.1021/jm00082a016 | |||
| CHEMBL165462 | 120230 | 48 | None | None | None | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 176 | 1 | 1 | 2 | 1.4 | Cc1ccc(N2CCNCC2)cc1 | 10.1021/jm00082a016 | |||
| 269722 | 444550 | 56 | None | None | None | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 192 | 2 | 1 | 3 | 1.1 | COc1ccc(N2CCNCC2)cc1 | 10.1021/jm00082a016 | |||
| CHEMBL59517 | 444550 | 56 | None | None | None | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 192 | 2 | 1 | 3 | 1.1 | COc1ccc(N2CCNCC2)cc1 | 10.1021/jm00082a016 | |||
| 44267518 | 27581 | 0 | None | None | None | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 446 | 12 | 3 | 8 | 1.7 | CS(=O)(=O)Nc1ccc(OC[C@H](O)CNCCOc2ccc(-n3ccnc3)cc2)cc1 | 10.1021/jm00166a002 | |||
| CHEMBL1192069 | 27581 | 0 | None | None | None | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 446 | 12 | 3 | 8 | 1.7 | CS(=O)(=O)Nc1ccc(OC[C@H](O)CNCCOc2ccc(-n3ccnc3)cc2)cc1 | 10.1021/jm00166a002 | |||
| 16049309 | 136432 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 481 | 13 | 5 | 7 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCSCCNCCc3ccccc3Cl)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
| CHEMBL1807870 | 136432 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 481 | 13 | 5 | 7 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCSCCNCCc3ccccc3Cl)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
| 56670092 | 136436 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 445 | 13 | 4 | 7 | 2.5 | CN(CCOCCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)CCc1ccccc1 | 10.1016/j.bmcl.2011.05.097 | |||
| CHEMBL1807874 | 136436 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 445 | 13 | 4 | 7 | 2.5 | CN(CCOCCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)CCc1ccccc1 | 10.1016/j.bmcl.2011.05.097 | |||
| 24901348 | 142571 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 531 | 11 | 5 | 6 | 4.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccc(CNCCc4c(Cl)cccc4Cl)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1944689 | 142571 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 531 | 11 | 5 | 6 | 4.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccc(CNCCc4c(Cl)cccc4Cl)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
| 24901349 | 142574 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 481 | 11 | 5 | 6 | 3.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccc(CNCCc4ccccc4F)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1944692 | 142574 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 481 | 11 | 5 | 6 | 3.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccc(CNCCc4ccccc4F)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
| 24901347 | 142577 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 463 | 11 | 5 | 6 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccc(CNCCc4ccccc4)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1944695 | 142577 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 463 | 11 | 5 | 6 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccc(CNCCc4ccccc4)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
| 137 | 765 | 35 | None | None | None | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm00350a009 | |||
| 2119 | 765 | 35 | None | None | None | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm00350a009 | |||
| 563 | 765 | 35 | None | None | None | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm00350a009 | |||
| 66368 | 765 | 35 | None | None | None | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm00350a009 | |||
| CHEMBL266195 | 765 | 35 | None | None | None | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm00350a009 | |||
| DB00866 | 765 | 35 | None | None | None | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm00350a009 | |||
| 15483883 | 200401 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 589 | 13 | 3 | 9 | 4.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(COc3ccc(F)cc3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
| CHEMBL288550 | 200401 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 589 | 13 | 3 | 9 | 4.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(COc3ccc(F)cc3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
| 44281219 | 221502 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 588 | 12 | 4 | 9 | 4.0 | NC(c1ccc(F)cc1)c1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00268-7 | |||
| CHEMBL32891 | 221502 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 588 | 12 | 4 | 9 | 4.0 | NC(c1ccc(F)cc1)c1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00268-7 | |||
| 15523861 | 120320 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 599 | 14 | 3 | 6 | 4.6 | O=C1N(CCCc2ccccc2)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | |||
| CHEMBL166188 | 120320 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 599 | 14 | 3 | 6 | 4.6 | O=C1N(CCCc2ccccc2)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | |||
| 44377316 | 238751 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 591 | 13 | 3 | 6 | 5.0 | O=C1N(CCC2CCCCC2)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | |||
| CHEMBL350590 | 238751 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 591 | 13 | 3 | 6 | 5.0 | O=C1N(CCC2CCCCC2)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | |||
| 46882031 | 20127 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 465 | 11 | 3 | 4 | 5.0 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1cccc(CCc2ccccc2)c1 | 10.1016/j.bmcl.2010.01.130 | |||
| CHEMBL1078749 | 20127 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 465 | 11 | 3 | 4 | 5.0 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1cccc(CCc2ccccc2)c1 | 10.1016/j.bmcl.2010.01.130 | |||
| 44298290 | 332925 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 371 | 4 | 1 | 5 | 3.9 | Cc1csc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1 | 10.1016/s0960-894x(99)00277-2 | |||
| CHEMBL433454 | 332925 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 371 | 4 | 1 | 5 | 3.9 | Cc1csc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1 | 10.1016/s0960-894x(99)00277-2 | |||
| 44298822 | 389539 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 460 | 8 | 1 | 3 | 6.7 | O=S(=O)(Nc1ccccc1)c1ccc2c(c1)CCN2c1cccc(CCCC2CCCC2)c1 | 10.1016/s0960-894x(99)00277-2 | |||
| CHEMBL54750 | 389539 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 460 | 8 | 1 | 3 | 6.7 | O=S(=O)(Nc1ccccc1)c1ccc2c(c1)CCN2c1cccc(CCCC2CCCC2)c1 | 10.1016/s0960-894x(99)00277-2 | |||
| 44298516 | 390592 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 467 | 8 | 1 | 5 | 6.2 | O=S(=O)(Nc1ccccc1)c1ccc2c(c1)CCN2c1nc(CCCC2CCCC2)cs1 | 10.1016/s0960-894x(99)00277-2 | |||
| CHEMBL55541 | 390592 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 467 | 8 | 1 | 5 | 6.2 | O=S(=O)(Nc1ccccc1)c1ccc2c(c1)CCN2c1nc(CCCC2CCCC2)cs1 | 10.1016/s0960-894x(99)00277-2 | |||
| 44301764 | 200780 | 0 | None | None | None | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 564 | 15 | 3 | 7 | 6.0 | CCCCCCc1csc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)n1 | 10.1016/s0960-894x(00)00390-5 | |||
| CHEMBL291992 | 200780 | 0 | None | None | None | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 564 | 15 | 3 | 7 | 6.0 | CCCCCCc1csc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)n1 | 10.1016/s0960-894x(00)00390-5 | |||
| 12049915 | 202895 | 0 | None | None | None | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 558 | 11 | 3 | 8 | 4.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(-c3ccc(F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | |||
| CHEMBL305558 | 202895 | 0 | None | None | None | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 558 | 11 | 3 | 8 | 4.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(-c3ccc(F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | |||
| 44298728 | 387258 | 0 | None | None | None | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 401 | 8 | 2 | 3 | 4.1 | CCCCCCNC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | |||
| CHEMBL53842 | 387258 | 0 | None | None | None | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 401 | 8 | 2 | 3 | 4.1 | CCCCCCNC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | |||
| 44190762 | 350837 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 531 | 8 | 1 | 5 | 6.6 | Cc1c(C(=O)c2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc2n1Cc1cccc(O[C@H](C)C(=O)O)c1 | 10.1016/j.bmcl.2008.07.103 | |||
| CHEMBL461571 | 350837 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 531 | 8 | 1 | 5 | 6.6 | Cc1c(C(=O)c2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc2n1Cc1cccc(O[C@H](C)C(=O)O)c1 | 10.1016/j.bmcl.2008.07.103 | |||
| 46882030 | 20100 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 427 | 9 | 4 | 5 | 3.6 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1cccc(-c2ncc[nH]2)c1 | 10.1016/j.bmcl.2010.01.130 | |||
| CHEMBL1078576 | 20100 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 427 | 9 | 4 | 5 | 3.6 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1cccc(-c2ncc[nH]2)c1 | 10.1016/j.bmcl.2010.01.130 | |||
| 1043 | 3255 | 6 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| 149 | 3255 | 6 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| 8223 | 3255 | 6 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| CHEMBL442 | 3255 | 6 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| DB00696 | 3255 | 6 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| 44298821 | 389538 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 453 | 11 | 1 | 5 | 6.1 | CCCCCCCCc1cnc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)o1 | 10.1016/s0960-894x(99)00277-2 | |||
| CHEMBL54749 | 389538 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 453 | 11 | 1 | 5 | 6.1 | CCCCCCCCc1cnc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)o1 | 10.1016/s0960-894x(99)00277-2 | |||
| 12017018 | 279492 | 0 | None | None | None | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 638 | 13 | 3 | 8 | 6.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(COc3ccc(C(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
| CHEMBL38861 | 279492 | 0 | None | None | None | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 638 | 13 | 3 | 8 | 6.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(COc3ccc(C(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
| 145947927 | 332520 | 0 | None | None | None | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 419 | 9 | 2 | 6 | 3.5 | COc1ccccc1CCNCC(O)COc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2018.04.038 | |||
| CHEMBL4302997 | 332520 | 0 | None | None | None | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 419 | 9 | 2 | 6 | 3.5 | COc1ccccc1CCNCC(O)COc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2018.04.038 | |||
| 2447486 | 125781 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 324 | 5 | 2 | 4 | 3.2 | CC(C)(C)NC[C@@H](O)CON=C1c2ccccc2-c2ccccc21 | 10.1021/jm00350a009 | |||
| CHEMBL1788270 | 125781 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 324 | 5 | 2 | 4 | 3.2 | CC(C)(C)NC[C@@H](O)CON=C1c2ccccc2-c2ccccc21 | 10.1021/jm00350a009 | |||
| 76322045 | 215600 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 527 | 7 | 3 | 5 | 6.0 | O=C(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)[C@@H]1CCc2sc(-c3ccc(F)cc3)nc21 | 10.1021/jm4017224 | |||
| CHEMBL3128184 | 215600 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 527 | 7 | 3 | 5 | 6.0 | O=C(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)[C@@H]1CCc2sc(-c3ccc(F)cc3)nc21 | 10.1021/jm4017224 | |||
| 176 | 823 | 54 | None | None | None | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
| 2157 | 823 | 54 | None | None | None | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
| 2566 | 823 | 54 | None | None | None | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
| CHEMBL633 | 823 | 54 | None | None | None | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
| DB01118 | 823 | 54 | None | None | None | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
| 44307340 | 202657 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 470 | 12 | 4 | 7 | 2.6 | CCc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(N)nc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | |||
| CHEMBL304090 | 202657 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 470 | 12 | 4 | 7 | 2.6 | CCc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(N)nc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | |||
| 44281218 | 311645 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 645 | 13 | 5 | 9 | 4.0 | CNC(=O)NC(c1ccc(F)cc1)c1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00268-7 | |||
| CHEMBL405245 | 311645 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 645 | 13 | 5 | 9 | 4.0 | CNC(=O)NC(c1ccc(F)cc1)c1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00268-7 | |||
| 389 | 239896 | 36 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 380 | 7 | 2 | 4 | 4.5 | Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1 | nan | |||
| 44112 | 239896 | 36 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 380 | 7 | 2 | 4 | 4.5 | Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1 | nan | |||
| CHEMBL357995 | 239896 | 36 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 380 | 7 | 2 | 4 | 4.5 | Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1 | nan | |||
| DB08807 | 239896 | 36 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 380 | 7 | 2 | 4 | 4.5 | Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1 | nan | |||
| 44307196 | 468591 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 510 | 11 | 4 | 7 | 3.3 | Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)cn1 | 10.1016/s0960-894x(98)00381-3 | |||
| CHEMBL66859 | 468591 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 510 | 11 | 4 | 7 | 3.3 | Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)cn1 | 10.1016/s0960-894x(98)00381-3 | |||
| 12017010 | 328200 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 572 | 12 | 3 | 7 | 5.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(Cc3ccc(F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
| CHEMBL418234 | 328200 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 572 | 12 | 3 | 7 | 5.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(Cc3ccc(F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
| 10138809 | 333701 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 450 | 8 | 4 | 5 | 4.3 | N#CN/C(=N\c1cccc2ccccc12)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | |||
| CHEMBL439794 | 333701 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 450 | 8 | 4 | 5 | 4.3 | N#CN/C(=N\c1cccc2ccccc12)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | |||
| 10099346 | 278319 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 560 | 13 | 3 | 7 | 5.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(CCC3CCCC3)o2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
| CHEMBL38254 | 278319 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 560 | 13 | 3 | 7 | 5.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(CCC3CCCC3)o2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
| 46881900 | 22107 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 437 | 9 | 3 | 4 | 4.9 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1cccc(-c2ccccc2)c1 | 10.1016/j.bmcl.2010.01.130 | |||
| CHEMBL1089396 | 22107 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 437 | 9 | 3 | 4 | 4.9 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1cccc(-c2ccccc2)c1 | 10.1016/j.bmcl.2010.01.130 | |||
| 70687348 | 145326 | 0 | None | None | None | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 393 | 10 | 3 | 6 | 1.0 | N#Cc1ccccc1OC[C@@H](O)CNCCNS(=O)(=O)c1ccccc1F | 10.1021/ml1002458 | |||
| CHEMBL2011236 | 145326 | 0 | None | None | None | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 393 | 10 | 3 | 6 | 1.0 | N#Cc1ccccc1OC[C@@H](O)CNCCNS(=O)(=O)c1ccccc1F | 10.1021/ml1002458 | |||
| 16049158 | 136422 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 475 | 14 | 5 | 7 | 3.4 | CCc1ccc(CCNCCCSCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2011.05.097 | |||
| CHEMBL1807824 | 136422 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 475 | 14 | 5 | 7 | 3.4 | CCc1ccc(CCNCCCSCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2011.05.097 | |||
| 56673609 | 136435 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 499 | 13 | 5 | 7 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCOCCNCCc3cccc(Cl)c3Cl)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
| CHEMBL1807873 | 136435 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 499 | 13 | 5 | 7 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCOCCNCCc3cccc(Cl)c3Cl)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
| 24900689 | 142607 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1ccccc1CNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1945039 | 142607 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1ccccc1CNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | |||
| 44268268 | 42512 | 1 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 493 | 11 | 4 | 7 | 3.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1cnc2ccccc2c1 | 10.1016/s0960-894x(98)00169-3 | |||
| CHEMBL12769 | 42512 | 1 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 493 | 11 | 4 | 7 | 3.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1cnc2ccccc2c1 | 10.1016/s0960-894x(98)00169-3 | |||
| 567 | 1496 | 16 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/s0960-894x(98)00571-x | |||
| 9841972 | 1496 | 16 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/s0960-894x(98)00571-x | |||
| CHEMBL284782 | 1496 | 16 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/s0960-894x(98)00571-x | |||
| 15483880 | 199806 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 591 | 12 | 3 | 8 | 4.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(Cc3ccc(F)c(F)c3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
| CHEMBL28405 | 199806 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 591 | 12 | 3 | 8 | 4.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(Cc3ccc(F)c(F)c3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
| 44281469 | 200292 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 573 | 12 | 3 | 8 | 4.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3cccc(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
| CHEMBL287561 | 200292 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 573 | 12 | 3 | 8 | 4.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3cccc(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
| 44308088 | 468601 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 607 | 17 | 3 | 7 | 4.9 | CCCCCCCCN1CC(=O)N(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00073-6 | |||
| CHEMBL66936 | 468601 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 607 | 17 | 3 | 7 | 4.9 | CCCCCCCCN1CC(=O)N(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00073-6 | |||
| 10099459 | 470517 | 1 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 565 | 15 | 3 | 6 | 4.6 | CCCCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00073-6 | |||
| CHEMBL82296 | 470517 | 1 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 565 | 15 | 3 | 6 | 4.6 | CCCCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00073-6 | |||
| 44377636 | 238784 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 607 | 12 | 3 | 6 | 4.5 | O=C1N(Cc2ccc(F)c(F)c2)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | |||
| CHEMBL350931 | 238784 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 607 | 12 | 3 | 6 | 4.5 | O=C1N(Cc2ccc(F)c(F)c2)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | |||
| 10099459 | 470517 | 1 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 565 | 15 | 3 | 6 | 4.6 | CCCCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00072-4 | |||
| CHEMBL82296 | 470517 | 1 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 565 | 15 | 3 | 6 | 4.6 | CCCCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00072-4 | |||
| 46881937 | 21093 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 494 | 9 | 3 | 6 | 5.5 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1-c1nc2ccccc2s1 | 10.1016/j.bmcl.2010.01.130 | |||
| CHEMBL1083831 | 21093 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 494 | 9 | 3 | 6 | 5.5 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1-c1nc2ccccc2s1 | 10.1016/j.bmcl.2010.01.130 | |||
| 44458134 | 175789 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 565 | 15 | 3 | 10 | 3.1 | CCCCCCn1nnn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00182-1 | |||
| CHEMBL22345 | 175789 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 565 | 15 | 3 | 10 | 3.1 | CCCCCCn1nnn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00182-1 | |||
| 44301886 | 201215 | 0 | None | None | None | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 607 | 16 | 4 | 8 | 4.7 | CC(=O)NCCCCCc1csc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)n1 | 10.1016/s0960-894x(00)00390-5 | |||
| CHEMBL294849 | 201215 | 0 | None | None | None | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 607 | 16 | 4 | 8 | 4.7 | CC(=O)NCCCCCc1csc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)n1 | 10.1016/s0960-894x(00)00390-5 | |||
| 44377665 | 333036 | 0 | None | None | None | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 567 | 15 | 3 | 7 | 3.4 | COCCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00072-4 | |||
| CHEMBL434284 | 333036 | 0 | None | None | None | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 567 | 15 | 3 | 7 | 3.4 | COCCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00072-4 | |||
| 2419 | 7043 | 56 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.05.097 | |||
| 5152 | 7043 | 56 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.05.097 | |||
| 559 | 7043 | 56 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.05.097 | |||
| CHEMBL1263 | 7043 | 56 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.05.097 | |||
| DB00938 | 7043 | 56 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.05.097 | |||
| 2419 | 7043 | 56 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.10.049 | |||
| 5152 | 7043 | 56 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.10.049 | |||
| 559 | 7043 | 56 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1263 | 7043 | 56 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.10.049 | |||
| DB00938 | 7043 | 56 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.10.049 | |||
| 57398562 | 142604 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 477 | 11 | 5 | 6 | 4.1 | CC(CNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1)c1ccccc1 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1945036 | 142604 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 477 | 11 | 5 | 6 | 4.1 | CC(CNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1)c1ccccc1 | 10.1016/j.bmcl.2011.10.049 | |||
| 9984028 | 238447 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 515 | 11 | 4 | 6 | 3.8 | Cc1ccc(S(=O)(=O)NC(=O)Cc2cccc(NC[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)c2)cc1 | 10.1021/jm0101500 | |||
| CHEMBL347582 | 238447 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 515 | 11 | 4 | 6 | 3.8 | Cc1ccc(S(=O)(=O)NC(=O)Cc2cccc(NC[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)c2)cc1 | 10.1021/jm0101500 | |||
| 44268498 | 198622 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 612 | 17 | 4 | 7 | 4.8 | CCCCCCN(C)C(=O)N(C)c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
| CHEMBL275114 | 198622 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 612 | 17 | 4 | 7 | 4.8 | CCCCCCN(C)C(=O)N(C)c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
| 10075383 | 197425 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 520 | 11 | 4 | 6 | 3.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccc(Br)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
| CHEMBL267545 | 197425 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 520 | 11 | 4 | 6 | 3.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccc(Br)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
| 44301617 | 412914 | 0 | None | None | None | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 640 | 16 | 3 | 7 | 7.7 | CCCCCCc1ccc(-c2csc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)n2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
| CHEMBL58241 | 412914 | 0 | None | None | None | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 640 | 16 | 3 | 7 | 7.7 | CCCCCCc1ccc(-c2csc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)n2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
| 44268470 | 58563 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 527 | 14 | 5 | 7 | 3.5 | CCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
| CHEMBL13453 | 58563 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 527 | 14 | 5 | 7 | 3.5 | CCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
| 44377754 | 238648 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 589 | 14 | 3 | 8 | 4.7 | O=c1n(CCCC2CCCC2)ccn1-c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | |||
| CHEMBL349651 | 238648 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 589 | 14 | 3 | 8 | 4.7 | O=c1n(CCCC2CCCC2)ccn1-c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | |||
| 44306959 | 468130 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 520 | 11 | 4 | 7 | 2.8 | Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)cn1 | 10.1016/s0960-894x(98)00381-3 | |||
| CHEMBL63842 | 468130 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 520 | 11 | 4 | 7 | 2.8 | Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)cn1 | 10.1016/s0960-894x(98)00381-3 | |||
| 14998848 | 238774 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 361 | 5 | 2 | 5 | 2.1 | O=C(NCC1CN(c2ccccc2)CCN1)c1ccc(-n2ccnc2)cc1 | 10.1021/jm00082a016 | |||
| CHEMBL350847 | 238774 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 361 | 5 | 2 | 5 | 2.1 | O=C(NCC1CN(c2ccccc2)CCN1)c1ccc(-n2ccnc2)cc1 | 10.1021/jm00082a016 | |||
| 44268605 | 198686 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 542 | 14 | 6 | 7 | 3.3 | CCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
| CHEMBL275511 | 198686 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 542 | 14 | 6 | 7 | 3.3 | CCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
| 44280903 | 200140 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 605 | 12 | 3 | 8 | 5.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3ccc4ccccc4c3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
| CHEMBL286437 | 200140 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 605 | 12 | 3 | 8 | 5.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3ccc4ccccc4c3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
| 44461718 | 470669 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 591 | 17 | 3 | 8 | 5.1 | CCCCCCCCn1ccn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | |||
| CHEMBL83753 | 470669 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 591 | 17 | 3 | 8 | 5.1 | CCCCCCCCn1ccn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | |||
| 10007337 | 235598 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 535 | 14 | 3 | 8 | 4.5 | CCCCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | |||
| CHEMBL33725 | 235598 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 535 | 14 | 3 | 8 | 4.5 | CCCCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | |||
| 12043156 | 332873 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 575 | 14 | 3 | 8 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(CCCC3CCCC3)n2)cc1 | 10.1016/s0960-894x(00)00267-5 | |||
| CHEMBL433042 | 332873 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 575 | 14 | 3 | 8 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(CCCC3CCCC3)n2)cc1 | 10.1016/s0960-894x(00)00267-5 | |||
| 44461718 | 470669 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 591 | 17 | 3 | 8 | 5.1 | CCCCCCCCn1ccn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00072-4 | |||
| CHEMBL83753 | 470669 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 591 | 17 | 3 | 8 | 5.1 | CCCCCCCCn1ccn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00072-4 | |||
| 44307333 | 468668 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 472 | 12 | 4 | 8 | 2.0 | COc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(N)nc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | |||
| CHEMBL67416 | 468668 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 472 | 12 | 4 | 8 | 2.0 | COc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(N)nc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | |||
| 44280860 | 200096 | 0 | None | None | None | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 521 | 13 | 3 | 8 | 4.1 | CCCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | |||
| CHEMBL286139 | 200096 | 0 | None | None | None | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 521 | 13 | 3 | 8 | 4.1 | CCCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | |||
| 1588 | 4738 | 26 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | |||
| 28864 | 4738 | 26 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | |||
| 43 | 4738 | 26 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | |||
| CHEMBL157138 | 4738 | 26 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | |||
| DB00589 | 4738 | 26 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | |||
| 12049917 | 468078 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 588 | 12 | 3 | 9 | 4.1 | COc1ccc(-c2cnn(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)n2)cc1F | 10.1016/s0960-894x(00)00422-4 | |||
| CHEMBL63357 | 468078 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 588 | 12 | 3 | 9 | 4.1 | COc1ccc(-c2cnn(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)n2)cc1F | 10.1016/s0960-894x(00)00422-4 | |||
| 44281073 | 237980 | 0 | None | None | None | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 551 | 14 | 4 | 9 | 3.5 | CCC(O)CCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | |||
| CHEMBL34328 | 237980 | 0 | None | None | None | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 551 | 14 | 4 | 9 | 3.5 | CCC(O)CCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | |||
| 45482789 | 424681 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 428 | 4 | 2 | 2 | 4.5 | CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C(=O)Nc2ccccc2)C1 | 10.1016/j.bmcl.2009.09.002 | |||
| CHEMBL584554 | 424681 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 428 | 4 | 2 | 2 | 4.5 | CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C(=O)Nc2ccccc2)C1 | 10.1016/j.bmcl.2009.09.002 | |||
| 15523859 | 470734 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 593 | 17 | 3 | 6 | 5.4 | CCCCCCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00073-6 | |||
| CHEMBL84190 | 470734 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 593 | 17 | 3 | 6 | 5.4 | CCCCCCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00073-6 | |||
| 15523859 | 470734 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 593 | 17 | 3 | 6 | 5.4 | CCCCCCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00072-4 | |||
| CHEMBL84190 | 470734 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 593 | 17 | 3 | 6 | 5.4 | CCCCCCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00072-4 | |||
| 44298315 | 385818 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 454 | 11 | 1 | 6 | 5.5 | CCCCCCCCc1nc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)no1 | 10.1016/s0960-894x(99)00277-2 | |||
| CHEMBL52407 | 385818 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 454 | 11 | 1 | 6 | 5.5 | CCCCCCCCc1nc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)no1 | 10.1016/s0960-894x(99)00277-2 | |||
| 14823035 | 270609 | 1 | None | None | None | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 377 | 9 | 2 | 5 | 3.1 | COC(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1 | 10.1021/jm00094a025 | |||
| CHEMBL38486 | 270609 | 1 | None | None | None | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 377 | 9 | 2 | 5 | 3.1 | COC(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1 | 10.1021/jm00094a025 | |||
| 10112732 | 40695 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 418 | 8 | 4 | 5 | 3.3 | N#CN/C(=N\c1cccc(F)c1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | |||
| CHEMBL124668 | 40695 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 418 | 8 | 4 | 5 | 3.3 | N#CN/C(=N\c1cccc(F)c1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | |||
| 44307186 | 468756 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 455 | 12 | 3 | 6 | 3.0 | CCc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | |||
| CHEMBL68021 | 468756 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 455 | 12 | 3 | 6 | 3.0 | CCc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | |||
| 24900813 | 142610 | 0 | None | None | None | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 467 | 10 | 5 | 6 | 3.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCc4ccccc4F)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1945042 | 142610 | 0 | None | None | None | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 467 | 10 | 5 | 6 | 3.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCc4ccccc4F)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
| 44268365 | 198831 | 0 | None | None | None | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 406 | 10 | 4 | 5 | 3.2 | O=C(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccccc1 | 10.1016/s0960-894x(98)00169-3 | |||
| CHEMBL276659 | 198831 | 0 | None | None | None | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 406 | 10 | 4 | 5 | 3.2 | O=C(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccccc1 | 10.1016/s0960-894x(98)00169-3 | |||
| 39468 | 37932 | 24 | None | None | None | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NC[C@H](O)COc1cccc2c1CCCC2=O | nan | |||
| 431 | 37932 | 24 | None | None | None | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NC[C@H](O)COc1cccc2c1CCCC2=O | nan | |||
| CHEMBL1201237 | 37932 | 24 | None | None | None | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NC[C@H](O)COc1cccc2c1CCCC2=O | nan | |||
| DB01210 | 37932 | 24 | None | None | None | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NC[C@H](O)COc1cccc2c1CCCC2=O | nan | |||
| 44268349 | 44425 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 456 | 12 | 4 | 6 | 2.9 | O=S(=O)(Cc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
| CHEMBL13079 | 44425 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 456 | 12 | 4 | 6 | 2.9 | O=S(=O)(Cc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
| 1499 | 4274 | 42 | None | None | None | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00094a025 | |||
| 3779 | 4274 | 42 | None | None | None | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00094a025 | |||
| 536 | 4274 | 42 | None | None | None | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00094a025 | |||
| CHEMBL434 | 4274 | 42 | None | None | None | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00094a025 | |||
| DB01064 | 4274 | 42 | None | None | None | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00094a025 | |||
| 46881576 | 22161 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 416 | 9 | 3 | 6 | 3.3 | O=C(Cc1nc2ccccc2o1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | |||
| CHEMBL1089725 | 22161 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 416 | 9 | 3 | 6 | 3.3 | O=C(Cc1nc2ccccc2o1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | |||
| 2249 | 1058 | 67 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm8007618 | |||
| 255 | 1058 | 67 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm8007618 | |||
| 548 | 1058 | 67 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm8007618 | |||
| CHEMBL24 | 1058 | 67 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm8007618 | |||
| DB00335 | 1058 | 67 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm8007618 | |||
| 44307144 | 468611 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 569 | 17 | 5 | 7 | 4.2 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | |||
| CHEMBL67015 | 468611 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 569 | 17 | 5 | 7 | 4.2 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | |||
| 44298256 | 394207 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 426 | 9 | 1 | 6 | 4.7 | CCCCCCc1nc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)no1 | 10.1016/s0960-894x(99)00277-2 | |||
| CHEMBL56768 | 394207 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 426 | 9 | 1 | 6 | 4.7 | CCCCCCc1nc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)no1 | 10.1016/s0960-894x(99)00277-2 | |||
| 44301806 | 200866 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 607 | 11 | 3 | 8 | 6.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc4ncccc4c3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
| CHEMBL292598 | 200866 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 607 | 11 | 3 | 8 | 6.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc4ncccc4c3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
| 46881938 | 21094 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 443 | 9 | 3 | 4 | 5.2 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1C1CCCCC1 | 10.1016/j.bmcl.2010.01.130 | |||
| CHEMBL1083832 | 21094 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 443 | 9 | 3 | 4 | 5.2 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1C1CCCCC1 | 10.1016/j.bmcl.2010.01.130 | |||
| 44285226 | 200035 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 548 | 15 | 3 | 7 | 5.5 | CCCCCCc1ncc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)o1 | 10.1016/s0960-894x(00)00277-8 | |||
| CHEMBL285713 | 200035 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 548 | 15 | 3 | 7 | 5.5 | CCCCCCc1ncc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)o1 | 10.1016/s0960-894x(00)00277-8 | |||
| 44335628 | 19175 | 0 | None | None | None | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 498 | 12 | 4 | 7 | 3.7 | CCCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | |||
| CHEMBL104222 | 19175 | 0 | None | None | None | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 498 | 12 | 4 | 7 | 3.7 | CCCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | |||
| 44335588 | 19610 | 0 | None | None | None | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 496 | 13 | 4 | 6 | 3.9 | CCCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | |||
| CHEMBL106487 | 19610 | 0 | None | None | None | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 496 | 13 | 4 | 6 | 3.9 | CCCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | |||
| 44268273 | 197402 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 476 | 11 | 4 | 6 | 3.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccccc1Cl | 10.1016/s0960-894x(98)00169-3 | |||
| CHEMBL267306 | 197402 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 476 | 11 | 4 | 6 | 3.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccccc1Cl | 10.1016/s0960-894x(98)00169-3 | |||
| 44349645 | 232560 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 684 | 11 | 4 | 9 | 6.8 | N#CN/C(=N\c1ccc2c(c1)N(c1nc(-c3ccc(OC(F)(F)F)cc3)cs1)CC2)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | |||
| CHEMBL332132 | 232560 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 684 | 11 | 4 | 9 | 6.8 | N#CN/C(=N\c1ccc2c(c1)N(c1nc(-c3ccc(OC(F)(F)F)cc3)cs1)CC2)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | |||
| 12049926 | 468129 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 654 | 14 | 3 | 10 | 4.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(COc3ccc(OC(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | |||
| CHEMBL63825 | 468129 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 654 | 14 | 3 | 10 | 4.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(COc3ccc(OC(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | |||
| 56663238 | 136434 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 465 | 13 | 5 | 7 | 2.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCOCCNCCc3cccc(Cl)c3)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
| CHEMBL1807872 | 136434 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 465 | 13 | 5 | 7 | 2.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCOCCNCCc3cccc(Cl)c3)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
| 24901144 | 142573 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 481 | 11 | 5 | 6 | 3.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCc4ccccc4F)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1944691 | 142573 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 481 | 11 | 5 | 6 | 3.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCc4ccccc4F)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
| 24900872 | 142606 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 478 | 12 | 5 | 7 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCCc4ccccn4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1945038 | 142606 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 478 | 12 | 5 | 7 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCCc4ccccn4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
| 57391554 | 142612 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1cccc(CNCc2cccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)sc34)c2)c1 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1945044 | 142612 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1cccc(CNCc2cccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)sc34)c2)c1 | 10.1016/j.bmcl.2011.10.049 | |||
| 24900942 | 142633 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 493 | 12 | 5 | 7 | 3.5 | COc1ccccc1CNCCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1945299 | 142633 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 493 | 12 | 5 | 7 | 3.5 | COc1ccccc1CNCCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | |||
| 44306991 | 468676 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 493 | 11 | 4 | 8 | 2.6 | Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3cnc4ccccc4c3)cc2)cn1 | 10.1016/s0960-894x(98)00381-3 | |||
| CHEMBL67461 | 468676 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 493 | 11 | 4 | 8 | 2.6 | Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3cnc4ccccc4c3)cc2)cn1 | 10.1016/s0960-894x(98)00381-3 | |||
| 9917962 | 332708 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 684 | 11 | 4 | 9 | 6.8 | N#CN/C(=N\c1ccc2c(c1)CCN2c1nc(-c2ccc(OC(F)(F)F)cc2)cs1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | |||
| CHEMBL431678 | 332708 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 684 | 11 | 4 | 9 | 6.8 | N#CN/C(=N\c1ccc2c(c1)CCN2c1nc(-c2ccc(OC(F)(F)F)cc2)cs1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | |||
| 44298787 | 387225 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 443 | 12 | 2 | 5 | 6.6 | CCCCCCCCc1csc(Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)n1 | 10.1016/s0960-894x(99)00277-2 | |||
| CHEMBL53679 | 387225 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 443 | 12 | 2 | 5 | 6.6 | CCCCCCCCc1csc(Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)n1 | 10.1016/s0960-894x(99)00277-2 | |||
| 44301804 | 332905 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 557 | 11 | 3 | 8 | 4.9 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccccn3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
| CHEMBL433248 | 332905 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 557 | 11 | 3 | 8 | 4.9 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccccn3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
| 44313161 | 213498 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 644 | 13 | 6 | 7 | 6.5 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(OCC4NCCc5cc(O)c(O)cc54)cc3)c2)cc1 | 10.1016/s0960-894x(00)00459-5 | |||
| CHEMBL308860 | 213498 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 644 | 13 | 6 | 7 | 6.5 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(OCC4NCCc5cc(O)c(O)cc54)cc3)c2)cc1 | 10.1016/s0960-894x(00)00459-5 | |||
| 12017017 | 255435 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 606 | 13 | 3 | 8 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(COc3ccc(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
| CHEMBL36609 | 255435 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 606 | 13 | 3 | 8 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(COc3ccc(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
| 12017013 | 273728 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 588 | 13 | 3 | 8 | 5.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(COc3ccc(F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
| CHEMBL37335 | 273728 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 588 | 13 | 3 | 8 | 5.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(COc3ccc(F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
| 12017002 | 278900 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 558 | 11 | 3 | 7 | 5.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(-c3ccc(F)cc3)o2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
| CHEMBL38562 | 278900 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 558 | 11 | 3 | 7 | 5.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(-c3ccc(F)cc3)o2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
| 44281470 | 232614 | 0 | None | None | None | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 589 | 12 | 4 | 9 | 4.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(C(O)c3ccc(F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
| CHEMBL33224 | 232614 | 0 | None | None | None | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 589 | 12 | 4 | 9 | 4.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(C(O)c3ccc(F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
| 13864381 | 475169 | 1 | None | None | None | Guinea pig | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 195 | 1 | 3 | 4 | 0.7 | NCC1OCCc2c1ccc(O)c2O | 10.1021/jm00073a006 | |||
| CHEMBL99361 | 475169 | 1 | None | None | None | Guinea pig | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 195 | 1 | 3 | 4 | 0.7 | NCC1OCCc2c1ccc(O)c2O | 10.1021/jm00073a006 | |||
| 13864389 | 19405 | 0 | None | None | None | Guinea pig | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 195 | 1 | 3 | 4 | 0.7 | NCC1OCCc2cc(O)c(O)cc21 | 10.1021/jm00073a006 | |||
| CHEMBL105383 | 19405 | 0 | None | None | None | Guinea pig | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 195 | 1 | 3 | 4 | 0.7 | NCC1OCCc2cc(O)c(O)cc21 | 10.1021/jm00073a006 | |||
| 15123375 | 120287 | 1 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 295 | 4 | 2 | 3 | 1.9 | O=C(NCC1CN(c2ccccc2)CCN1)c1ccccc1 | 10.1021/jm00082a016 | |||
| CHEMBL165901 | 120287 | 1 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 295 | 4 | 2 | 3 | 1.9 | O=C(NCC1CN(c2ccccc2)CCN1)c1ccccc1 | 10.1021/jm00082a016 | |||
| 16049087 | 136415 | 0 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 448 | 13 | 4 | 7 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSCCCOCCc3ccccc3)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
| CHEMBL1807817 | 136415 | 0 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 448 | 13 | 4 | 7 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSCCCOCCc3ccccc3)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
| 16049088 | 136416 | 0 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 448 | 13 | 4 | 7 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCSCCOCCc3ccccc3)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
| CHEMBL1807818 | 136416 | 0 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 448 | 13 | 4 | 7 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCSCCOCCc3ccccc3)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
| 16049024 | 136418 | 0 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 498 | 13 | 4 | 7 | 4.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCSCCOCCc3cccc4ccccc34)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
| CHEMBL1807820 | 136418 | 0 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 498 | 13 | 4 | 7 | 4.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCSCCOCCc3cccc4ccccc34)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
| 24901284 | 142630 | 0 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 545 | 12 | 5 | 6 | 5.2 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCc3cccc(CNCCc4c(Cl)cccc4Cl)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1945296 | 142630 | 0 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 545 | 12 | 5 | 6 | 5.2 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCc3cccc(CNCCc4c(Cl)cccc4Cl)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
| 46881872 | 22066 | 1 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 411 | 10 | 4 | 7 | 2.6 | CNc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cs1 | 10.1016/j.bmcl.2010.01.130 | |||
| CHEMBL1089052 | 22066 | 1 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 411 | 10 | 4 | 7 | 2.6 | CNc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cs1 | 10.1016/j.bmcl.2010.01.130 | |||
| 44298849 | 393286 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 434 | 9 | 1 | 3 | 6.3 | CCCCCCc1cccc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)c1 | 10.1016/s0960-894x(99)00277-2 | |||
| CHEMBL56308 | 393286 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 434 | 9 | 1 | 3 | 6.3 | CCCCCCc1cccc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)c1 | 10.1016/s0960-894x(99)00277-2 | |||
| 44335663 | 19130 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 560 | 13 | 4 | 7 | 4.5 | O=C(Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1)OCCc1ccccc1 | 10.1016/s0960-894x(98)00571-x | |||
| CHEMBL104076 | 19130 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 560 | 13 | 4 | 7 | 4.5 | O=C(Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1)OCCc1ccccc1 | 10.1016/s0960-894x(98)00571-x | |||
| 44335496 | 19140 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 335 | 8 | 3 | 5 | 1.3 | CS(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(98)00571-x | |||
| CHEMBL104127 | 19140 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 335 | 8 | 3 | 5 | 1.3 | CS(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(98)00571-x | |||
| 44301831 | 201103 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 590 | 14 | 3 | 7 | 6.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(CCCC3CCCC3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
| CHEMBL294172 | 201103 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 590 | 14 | 3 | 7 | 6.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(CCCC3CCCC3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
| 44301805 | 201154 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 557 | 11 | 3 | 8 | 4.9 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cccnc3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
| CHEMBL294492 | 201154 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 557 | 11 | 3 | 8 | 4.9 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cccnc3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
| 44281407 | 200473 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 666 | 14 | 4 | 10 | 3.6 | CS(=O)(=O)NC(c1ccc(F)cc1)c1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00268-7 | |||
| CHEMBL289248 | 200473 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 666 | 14 | 4 | 10 | 3.6 | CS(=O)(=O)NC(c1ccc(F)cc1)c1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00268-7 | |||
| 44461706 | 470724 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 579 | 15 | 3 | 7 | 4.1 | CCCCCCN1C(=O)CN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00073-6 | |||
| CHEMBL84117 | 470724 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 579 | 15 | 3 | 7 | 4.1 | CCCCCCN1C(=O)CN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00073-6 | |||
| 44285685 | 200385 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 478 | 10 | 3 | 7 | 3.7 | Cc1ncc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)o1 | 10.1016/s0960-894x(00)00277-8 | |||
| CHEMBL288418 | 200385 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 478 | 10 | 3 | 7 | 3.7 | Cc1ncc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)o1 | 10.1016/s0960-894x(00)00277-8 | |||
| 12043159 | 200192 | 0 | None | None | None | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 549 | 14 | 3 | 9 | 3.7 | CC(=O)CCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | |||
| CHEMBL286800 | 200192 | 0 | None | None | None | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 549 | 14 | 3 | 9 | 3.7 | CC(=O)CCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | |||
| 44281396 | 200139 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 589 | 13 | 3 | 9 | 4.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(COc3ccc(F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
| CHEMBL286435 | 200139 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 589 | 13 | 3 | 9 | 4.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(COc3ccc(F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
| 10119061 | 41822 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 526 | 8 | 4 | 5 | 3.7 | N#CN/C(=N\c1ccc(I)cc1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | |||
| CHEMBL126055 | 41822 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 526 | 8 | 4 | 5 | 3.7 | N#CN/C(=N\c1ccc(I)cc1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | |||
| 44268539 | 44277 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 527 | 13 | 5 | 7 | 3.4 | CC(C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
| CHEMBL13068 | 44277 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 527 | 13 | 5 | 7 | 3.4 | CC(C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
| 14739891 | 474604 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 408 | 12 | 3 | 6 | 1.8 | COCCc1ccc(OCC(O)CNCc2ccc(NS(C)(=O)=O)cc2)cc1 | 10.1021/jm00172a033 | |||
| CHEMBL95727 | 474604 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 408 | 12 | 3 | 6 | 1.8 | COCCc1ccc(OCC(O)CNCc2ccc(NS(C)(=O)=O)cc2)cc1 | 10.1021/jm00172a033 | |||
| 1978 | 515 | 40 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 336 | 10 | 3 | 5 | 3.0 | CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O | nan | |||
| 40 | 515 | 40 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 336 | 10 | 3 | 5 | 3.0 | CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O | nan | |||
| 7107 | 515 | 40 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 336 | 10 | 3 | 5 | 3.0 | CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O | nan | |||
| CHEMBL642 | 515 | 40 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 336 | 10 | 3 | 5 | 3.0 | CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O | nan | |||
| DB01193 | 515 | 40 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 336 | 10 | 3 | 5 | 3.0 | CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O | nan | |||
| 44349646 | 40751 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 636 | 16 | 4 | 8 | 7.2 | CCCCCCCCc1csc(N2CCc3ccc(N/C(=N/c4ccc(CCNC[C@H](O)c5cccnc5)cc4)NC#N)cc32)n1 | 10.1016/s0960-894x(00)00669-7 | |||
| CHEMBL124929 | 40751 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 636 | 16 | 4 | 8 | 7.2 | CCCCCCCCc1csc(N2CCc3ccc(N/C(=N/c4ccc(CCNC[C@H](O)c5cccnc5)cc4)NC#N)cc32)n1 | 10.1016/s0960-894x(00)00669-7 | |||
| 44349629 | 42385 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 450 | 8 | 4 | 5 | 4.3 | N#CN/C(=N\c1ccc2ccccc2c1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | |||
| CHEMBL127422 | 42385 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 450 | 8 | 4 | 5 | 4.3 | N#CN/C(=N\c1ccc2ccccc2c1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | |||
| 44268569 | 198481 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 598 | 17 | 5 | 7 | 4.5 | CCCCCCNC(=O)N(C)c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
| CHEMBL274143 | 198481 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 598 | 17 | 5 | 7 | 4.5 | CCCCCCNC(=O)N(C)c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
| 12017004 | 200328 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 590 | 12 | 3 | 7 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(Cc3ccc(F)c(F)c3)o2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
| CHEMBL287880 | 200328 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 590 | 12 | 3 | 7 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(Cc3ccc(F)c(F)c3)o2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
| 46881575 | 22103 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 416 | 9 | 3 | 7 | 2.3 | O=C(Cn1nc2ccccc2n1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | |||
| CHEMBL1089387 | 22103 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 416 | 9 | 3 | 7 | 2.3 | O=C(Cn1nc2ccccc2n1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | |||
| 9958539 | 203155 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 527 | 3 | 2 | 5 | 3.4 | COc1c(I)cc(CC2NCCc3nc(N)sc32)cc1I | 10.1016/s0960-894x(00)00459-5 | |||
| CHEMBL307647 | 203155 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 527 | 3 | 2 | 5 | 3.4 | COc1c(I)cc(CC2NCCc3nc(N)sc32)cc1I | 10.1016/s0960-894x(00)00459-5 | |||
| 145947596 | 332468 | 0 | None | None | None | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 355 | 5 | 2 | 5 | 3.4 | Cc1cccc2c(=O)c3ccc(OCC(O)CNC(C)(C)C)cc3oc12 | 10.1016/j.bmc.2018.04.038 | |||
| CHEMBL4302343 | 332468 | 0 | None | None | None | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 355 | 5 | 2 | 5 | 3.4 | Cc1cccc2c(=O)c3ccc(OCC(O)CNC(C)(C)C)cc3oc12 | 10.1016/j.bmc.2018.04.038 | |||
| 16049448 | 136427 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 515 | 13 | 5 | 7 | 4.2 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSCCCNCCc3cccc(Cl)c3Cl)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
| CHEMBL1807829 | 136427 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 515 | 13 | 5 | 7 | 4.2 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSCCCNCCc3cccc(Cl)c3Cl)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
| 16049376 | 136433 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 515 | 13 | 5 | 7 | 4.2 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCSCCNCCc3cccc(Cl)c3Cl)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
| CHEMBL1807871 | 136433 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 515 | 13 | 5 | 7 | 4.2 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCSCCNCCc3cccc(Cl)c3Cl)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
| 24901209 | 142599 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 516 | 11 | 6 | 6 | 4.3 | Cc1cccc2c(CCNCc3cccc(CCNC[C@H](O)c4ccc(O)c5[nH]c(=O)sc45)c3)c[nH]c12 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1945031 | 142599 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 516 | 11 | 6 | 6 | 4.3 | Cc1cccc2c(CCNCc3cccc(CCNC[C@H](O)c4ccc(O)c5[nH]c(=O)sc45)c3)c[nH]c12 | 10.1016/j.bmcl.2011.10.049 | |||
| 24900812 | 142611 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 450 | 10 | 5 | 7 | 2.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCc4ccccn4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1945043 | 142611 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 450 | 10 | 5 | 7 | 2.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCc4ccccn4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
| 44349379 | 42389 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 462 | 12 | 5 | 8 | 2.6 | NC(=O)c1cccc(N/C(=C/[N+](=O)[O-])Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1 | 10.1016/s0960-894x(00)00669-7 | |||
| CHEMBL127451 | 42389 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 462 | 12 | 5 | 8 | 2.6 | NC(=O)c1cccc(N/C(=C/[N+](=O)[O-])Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1 | 10.1016/s0960-894x(00)00669-7 | |||
| 56673674 | 136429 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 513 | 13 | 5 | 8 | 2.2 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCS(=O)(=O)CCCNCCc3cccc(Cl)c3)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
| CHEMBL1807831 | 136429 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 513 | 13 | 5 | 8 | 2.2 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCS(=O)(=O)CCCNCCc3cccc(Cl)c3)c2s1 | 10.1016/j.bmcl.2011.05.097 | |||
| 24900874 | 142627 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 417 | 11 | 5 | 7 | 1.9 | COCCNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1945293 | 142627 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 417 | 11 | 5 | 7 | 1.9 | COCCNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2011.10.049 | |||
| 44307113 | 333968 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 552 | 11 | 3 | 5 | 3.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1)c1ccc(I)cc1 | 10.1016/s0960-894x(98)00381-3 | |||
| CHEMBL442172 | 333968 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 552 | 11 | 3 | 5 | 3.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1)c1ccc(I)cc1 | 10.1016/s0960-894x(98)00381-3 | |||
| 44268570 | 198482 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 598 | 17 | 5 | 7 | 4.8 | CCCCCCN(C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
| CHEMBL274144 | 198482 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 598 | 17 | 5 | 7 | 4.8 | CCCCCCN(C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
| 14739892 | 475082 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 337 | 8 | 2 | 5 | 2.7 | Cc1ccccc1OCC(O)CNCc1ccc(-n2ccnc2)cc1 | 10.1021/jm00172a033 | |||
| CHEMBL98773 | 475082 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 337 | 8 | 2 | 5 | 2.7 | Cc1ccccc1OCC(O)CNCc1ccc(-n2ccnc2)cc1 | 10.1021/jm00172a033 | |||
| 44335603 | 217051 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 538 | 16 | 4 | 6 | 5.0 | CCCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | |||
| CHEMBL318165 | 217051 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 538 | 16 | 4 | 6 | 5.0 | CCCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | |||
| 9915238 | 405756 | 2 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 539 | 15 | 5 | 6 | 4.5 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | |||
| CHEMBL57486 | 405756 | 2 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 539 | 15 | 5 | 6 | 4.5 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | |||
| 81430 | 445269 | 63 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 192 | 2 | 1 | 3 | 1.1 | COc1cccc(N2CCNCC2)c1 | 10.1021/jm00082a016 | |||
| CHEMBL59597 | 445269 | 63 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 192 | 2 | 1 | 3 | 1.1 | COc1cccc(N2CCNCC2)c1 | 10.1021/jm00082a016 | |||
| 15483879 | 199971 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 573 | 12 | 3 | 8 | 4.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(Cc3ccc(F)cc3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
| CHEMBL285240 | 199971 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 573 | 12 | 3 | 8 | 4.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(Cc3ccc(F)cc3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
| 44281395 | 200110 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 587 | 13 | 4 | 10 | 4.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(COc3ccccc3O)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
| CHEMBL286231 | 200110 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 587 | 13 | 4 | 10 | 4.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(COc3ccccc3O)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
| 12017015 | 241652 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 546 | 12 | 3 | 7 | 5.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(CC3CCCC3)o2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
| CHEMBL36101 | 241652 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 546 | 12 | 3 | 7 | 5.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(CC3CCCC3)o2)cc1 | 10.1016/s0960-894x(00)00277-8 | |||
| 9915238 | 405756 | 2 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 539 | 15 | 5 | 6 | 4.5 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00277-2 | |||
| CHEMBL57486 | 405756 | 2 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 539 | 15 | 5 | 6 | 4.5 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00277-2 | |||
| 9896742 | 469811 | 0 | None | None | None | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 618 | 12 | 6 | 7 | 6.0 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3cc(OCC4NCCc5cc(O)c(O)cc54)ccc3c2)cc1 | 10.1016/s0960-894x(00)00459-5 | |||
| CHEMBL76403 | 469811 | 0 | None | None | None | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 618 | 12 | 6 | 7 | 6.0 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3cc(OCC4NCCc5cc(O)c(O)cc54)ccc3c2)cc1 | 10.1016/s0960-894x(00)00459-5 | |||
| 44268266 | 41873 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 317 | 8 | 4 | 5 | 2.1 | C[C@@H](Cc1ccc(O)cc1)NC[C@H](O)COc1ccc(O)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
| CHEMBL12633 | 41873 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 317 | 8 | 4 | 5 | 2.1 | C[C@@H](Cc1ccc(O)cc1)NC[C@H](O)COc1ccc(O)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
| 44349357 | 315724 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 469 | 11 | 4 | 7 | 4.7 | O=[N+]([O-])/C=C(\Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)Nc1ccc2ccccc2c1 | 10.1016/s0960-894x(00)00669-7 | |||
| CHEMBL410702 | 315724 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 469 | 11 | 4 | 7 | 4.7 | O=[N+]([O-])/C=C(\Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)Nc1ccc2ccccc2c1 | 10.1016/s0960-894x(00)00669-7 | |||
| 44338578 | 220100 | 0 | None | None | None | Guinea pig | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 378 | 6 | 2 | 5 | 3.4 | COC12CCCCC1c1ccc(F)cc1/C2=N/OCC(O)CNC(C)(C)C | 10.1021/jm00122a008 | |||
| CHEMBL325371 | 220100 | 0 | None | None | None | Guinea pig | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 378 | 6 | 2 | 5 | 3.4 | COC12CCCCC1c1ccc(F)cc1/C2=N/OCC(O)CNC(C)(C)C | 10.1021/jm00122a008 | |||
| 44349237 | 328414 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 511 | 13 | 4 | 8 | 5.3 | O=[N+]([O-])/C=C(\Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)Nc1cccc(Oc2ccccc2)c1 | 10.1016/s0960-894x(00)00669-7 | |||
| CHEMBL419787 | 328414 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 511 | 13 | 4 | 8 | 5.3 | O=[N+]([O-])/C=C(\Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)Nc1cccc(Oc2ccccc2)c1 | 10.1016/s0960-894x(00)00669-7 | |||
| 44268352 | 39432 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 380 | 10 | 4 | 6 | 1.3 | CS(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
| CHEMBL12188 | 39432 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 380 | 10 | 4 | 6 | 1.3 | CS(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
| 46881617 | 22260 | 1 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 397 | 9 | 4 | 7 | 2.2 | Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cs1 | 10.1016/j.bmcl.2010.01.130 | |||
| CHEMBL1090425 | 22260 | 1 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 397 | 9 | 4 | 7 | 2.2 | Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cs1 | 10.1016/j.bmcl.2010.01.130 | |||
| 46901383 | 39328 | 27 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 380 | 5 | 3 | 6 | 2.4 | NC(=O)c1cc(-c2ccnc(NC3CCCCC3)c2)nc(N2CCNCC2)c1 | 10.1021/jm100076w | |||
| CHEMBL1214999 | 39328 | 27 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 380 | 5 | 3 | 6 | 2.4 | NC(=O)c1cc(-c2ccnc(NC3CCCCC3)c2)nc(N2CCNCC2)c1 | 10.1021/jm100076w | |||
| 10012704 | 25501 | 0 | None | None | None | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 188 | 5 | 2 | 4 | 0.8 | CCO/N=C/C(O)CNC(C)(C)C | 10.1021/acs.jmedchem.1c01215 | |||
| CHEMBL1178768 | 25501 | 0 | None | None | None | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 188 | 5 | 2 | 4 | 0.8 | CCO/N=C/C(O)CNC(C)(C)C | 10.1021/acs.jmedchem.1c01215 | |||
| 10442852 | 25494 | 0 | None | None | None | Guinea pig | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 202 | 6 | 2 | 4 | 1.1 | CCCO/N=C/C(O)CNC(C)(C)C | 10.1021/jm00036a018 | |||
| CHEMBL1178755 | 25494 | 0 | None | None | None | Guinea pig | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 202 | 6 | 2 | 4 | 1.1 | CCCO/N=C/C(O)CNC(C)(C)C | 10.1021/jm00036a018 | |||
| 10076885 | 199972 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 577 | 14 | 3 | 9 | 4.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(CCOC3CCCC3)n2)cc1 | 10.1016/s0960-894x(00)00267-5 | |||
| CHEMBL285242 | 199972 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 577 | 14 | 3 | 9 | 4.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(CCOC3CCCC3)n2)cc1 | 10.1016/s0960-894x(00)00267-5 | |||
| 46881752 | 21584 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 431 | 9 | 4 | 6 | 3.6 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)OCc1nc2ccccc2[nH]1 | 10.1016/j.bmcl.2010.01.130 | |||
| CHEMBL1085928 | 21584 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 431 | 9 | 4 | 6 | 3.6 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)OCc1nc2ccccc2[nH]1 | 10.1016/j.bmcl.2010.01.130 | |||
| 10101116 | 38440 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 684 | 11 | 4 | 9 | 6.8 | N#CN/C(=N\c1cccc2c1CCN2c1nc(-c2ccc(OC(F)(F)F)cc2)cs1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | |||
| CHEMBL120238 | 38440 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 684 | 11 | 4 | 9 | 6.8 | N#CN/C(=N\c1cccc2c1CCN2c1nc(-c2ccc(OC(F)(F)F)cc2)cs1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | |||
| 10722793 | 232396 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 640 | 12 | 3 | 8 | 6.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(OC(F)(F)F)cc3)cs2)cc1 | 10.1021/jm000286i | |||
| CHEMBL331744 | 232396 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 640 | 12 | 3 | 8 | 6.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(OC(F)(F)F)cc3)cs2)cc1 | 10.1021/jm000286i | |||
| 44338127 | 21980 | 0 | None | None | None | Guinea pig | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 390 | 8 | 3 | 6 | 2.6 | CC(C)(C)NCC(O)CO/N=C1/c2ccccc2C2CCCCC12OCCO | 10.1021/jm00122a008 | |||
| CHEMBL108843 | 21980 | 0 | None | None | None | Guinea pig | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 390 | 8 | 3 | 6 | 2.6 | CC(C)(C)NCC(O)CO/N=C1/c2ccccc2C2CCCCC12OCCO | 10.1021/jm00122a008 | |||
| 44301866 | 200726 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 606 | 18 | 3 | 7 | 6.7 | CCCCCCCCc1csc(Cc2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)n1 | 10.1016/s0960-894x(00)00390-5 | |||
| CHEMBL291593 | 200726 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 606 | 18 | 3 | 7 | 6.7 | CCCCCCCCc1csc(Cc2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)n1 | 10.1016/s0960-894x(00)00390-5 | |||
| 44377514 | 119313 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 592 | 17 | 3 | 9 | 4.5 | CCCCCCCCn1cnn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | |||
| CHEMBL163579 | 119313 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 592 | 17 | 3 | 9 | 4.5 | CCCCCCCCn1cnn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | |||
| 44461486 | 470213 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 564 | 15 | 3 | 9 | 3.7 | CCCCCCn1cnn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | |||
| CHEMBL79806 | 470213 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 564 | 15 | 3 | 9 | 3.7 | CCCCCCn1cnn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | |||
| 44280795 | 222057 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 507 | 12 | 3 | 8 | 3.8 | CCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | |||
| CHEMBL33013 | 222057 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 507 | 12 | 3 | 8 | 3.8 | CCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | |||
| 15523860 | 238847 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 593 | 15 | 3 | 6 | 5.2 | CCCCC(C)(C)CN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00072-4 | |||
| CHEMBL351596 | 238847 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 593 | 15 | 3 | 6 | 5.2 | CCCCC(C)(C)CN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00072-4 | |||
| 44307396 | 468739 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 582 | 12 | 3 | 6 | 3.7 | COc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(I)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | |||
| CHEMBL67886 | 468739 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 582 | 12 | 3 | 6 | 3.7 | COc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(I)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | |||
| 46881750 | 21544 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 401 | 8 | 4 | 5 | 3.1 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1nc2ccccc2[nH]1 | 10.1016/j.bmcl.2010.01.130 | |||
| CHEMBL1085693 | 21544 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 401 | 8 | 4 | 5 | 3.1 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1nc2ccccc2[nH]1 | 10.1016/j.bmcl.2010.01.130 | |||
| 12049914 | 468597 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 558 | 11 | 3 | 8 | 4.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(-c3cccc(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | |||
| CHEMBL66908 | 468597 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 558 | 11 | 3 | 8 | 4.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(-c3cccc(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | |||
| 44268509 | 43273 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 513 | 13 | 5 | 7 | 3.1 | CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
| CHEMBL12943 | 43273 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 513 | 13 | 5 | 7 | 3.1 | CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | |||
| 44338133 | 23537 | 0 | None | None | None | Guinea pig | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 346 | 6 | 3 | 5 | 2.6 | CC(C)NCC(O)CO/N=C1/c2ccccc2C2CCCCCC12O | 10.1021/jm00122a008 | |||
| CHEMBL110659 | 23537 | 0 | None | None | None | Guinea pig | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 346 | 6 | 3 | 5 | 2.6 | CC(C)NCC(O)CO/N=C1/c2ccccc2C2CCCCCC12O | 10.1021/jm00122a008 | |||
| 2464 | 7398 | 37 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 10.1021/jm00172a033 | |||
| 5253 | 7398 | 37 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 10.1021/jm00172a033 | |||
| 7297 | 7398 | 37 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 10.1021/jm00172a033 | |||
| CHEMBL471 | 7398 | 37 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 10.1021/jm00172a033 | |||
| DB00489 | 7398 | 37 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 10.1021/jm00172a033 | |||
| 44307205 | 468798 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 584 | 17 | 6 | 8 | 3.7 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(N)nc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | |||
| CHEMBL68408 | 468798 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 584 | 17 | 6 | 8 | 3.7 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(N)nc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | |||
| 44298852 | 201855 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 435 | 9 | 1 | 4 | 5.7 | CCCCCCc1cccc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1 | 10.1016/s0960-894x(99)00277-2 | |||
| CHEMBL299719 | 201855 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 435 | 9 | 1 | 4 | 5.7 | CCCCCCc1cccc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1 | 10.1016/s0960-894x(99)00277-2 | |||
| 44268322 | 42829 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 303 | 8 | 4 | 5 | 1.7 | Oc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
| CHEMBL12876 | 42829 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 303 | 8 | 4 | 5 | 1.7 | Oc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | |||
| 44301843 | 432371 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 584 | 13 | 3 | 7 | 5.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(CCc3ccccc3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
| CHEMBL59270 | 432371 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 584 | 13 | 3 | 7 | 5.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(CCc3ccccc3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
| 2464 | 7398 | 37 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 10.1021/jm00082a016 | |||
| 5253 | 7398 | 37 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 10.1021/jm00082a016 | |||
| 7297 | 7398 | 37 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 10.1021/jm00082a016 | |||
| CHEMBL471 | 7398 | 37 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 10.1021/jm00082a016 | |||
| DB00489 | 7398 | 37 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 10.1021/jm00082a016 | |||
| 44281343 | 219904 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 639 | 14 | 3 | 13 | 5.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(COc3ccc(C4N=NN=N4)cc3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
| CHEMBL32418 | 219904 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 639 | 14 | 3 | 13 | 5.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(COc3ccc(C4N=NN=N4)cc3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | |||
| 44280858 | 200001 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 577 | 17 | 3 | 8 | 5.7 | CCCCCCCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | |||
| CHEMBL285458 | 200001 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 577 | 17 | 3 | 8 | 5.7 | CCCCCCCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | |||
| 2464 | 7398 | 37 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 10.1021/jm00166a002 | |||
| 5253 | 7398 | 37 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 10.1021/jm00166a002 | |||
| 7297 | 7398 | 37 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 10.1021/jm00166a002 | |||
| CHEMBL471 | 7398 | 37 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 10.1021/jm00166a002 | |||
| DB00489 | 7398 | 37 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 10.1021/jm00166a002 | |||
| 44298700 | 202051 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 345 | 3 | 1 | 3 | 2.5 | CN(C)C(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | |||
| CHEMBL301202 | 202051 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 345 | 3 | 1 | 3 | 2.5 | CN(C)C(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | |||
| 44268341 | 46586 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 492 | 11 | 4 | 6 | 3.9 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccc2ccccc2c1 | 10.1016/s0960-894x(98)00169-3 | |||
| CHEMBL13278 | 46586 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 492 | 11 | 4 | 6 | 3.9 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccc2ccccc2c1 | 10.1016/s0960-894x(98)00169-3 | |||
| 44301880 | 409916 | 0 | None | None | None | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 596 | 11 | 3 | 8 | 6.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cc4ccccc4o3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
| CHEMBL57908 | 409916 | 0 | None | None | None | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 596 | 11 | 3 | 8 | 6.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cc4ccccc4o3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
| 44307166 | 202781 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 570 | 11 | 3 | 5 | 3.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(F)cc2)cc1)c1ccc(I)cc1 | 10.1016/s0960-894x(98)00381-3 | |||
| CHEMBL304878 | 202781 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 570 | 11 | 3 | 5 | 3.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(F)cc2)cc1)c1ccc(I)cc1 | 10.1016/s0960-894x(98)00381-3 | |||
| 12049925 | 198947 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 638 | 13 | 3 | 9 | 4.9 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(COc3ccc(C(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | |||
| CHEMBL277613 | 198947 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 638 | 13 | 3 | 9 | 4.9 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(COc3ccc(C(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | |||
| 12049924 | 468780 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 606 | 13 | 3 | 9 | 4.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(COc3ccc(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | |||
| CHEMBL68301 | 468780 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 606 | 13 | 3 | 9 | 4.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(COc3ccc(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | |||
| 44301867 | 200727 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 613 | 12 | 4 | 8 | 5.5 | CC(=O)Nc1ccc(-c2csc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)n2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
| CHEMBL291594 | 200727 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 613 | 12 | 4 | 8 | 5.5 | CC(=O)Nc1ccc(-c2csc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)n2)cc1 | 10.1016/s0960-894x(00)00390-5 | |||
| 46881531 | 21318 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 415 | 9 | 4 | 5 | 3.0 | O=C(Cc1n[nH]c2ccccc12)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | |||
| CHEMBL1084667 | 21318 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 415 | 9 | 4 | 5 | 3.0 | O=C(Cc1n[nH]c2ccccc12)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | |||
| 56645363 | 240095 | 21 | None | None | None | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 311 | 3 | 1 | 4 | 3.8 | CC(C)(O)c1cncc(-c2nc3ccc(F)cc3n2C2CC2)c1 | 10.6019/CHEMBL4507294 | |||
| CHEMBL3582478 | 240095 | 21 | None | None | None | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 311 | 3 | 1 | 4 | 3.8 | CC(C)(O)c1cncc(-c2nc3ccc(F)cc3n2C2CC2)c1 | 10.6019/CHEMBL4507294 | |||
| 56645363 | 240095 | 21 | None | None | None | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 311 | 3 | 1 | 4 | 3.8 | CC(C)(O)c1cncc(-c2nc3ccc(F)cc3n2C2CC2)c1 | 10.6019/CHEMBL4507294 | |||
| CHEMBL3582478 | 240095 | 21 | None | None | None | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 311 | 3 | 1 | 4 | 3.8 | CC(C)(O)c1cncc(-c2nc3ccc(F)cc3n2C2CC2)c1 | 10.6019/CHEMBL4507294 | |||
| 56645363 | 240095 | 21 | None | None | None | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 311 | 3 | 1 | 4 | 3.8 | CC(C)(O)c1cncc(-c2nc3ccc(F)cc3n2C2CC2)c1 | 10.6019/CHEMBL5212743 | |||
| CHEMBL3582478 | 240095 | 21 | None | None | None | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 311 | 3 | 1 | 4 | 3.8 | CC(C)(O)c1cncc(-c2nc3ccc(F)cc3n2C2CC2)c1 | 10.6019/CHEMBL5212743 | |||
| 44335548 | 219324 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 567 | 17 | 5 | 6 | 5.2 | CCCCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | |||
| CHEMBL323113 | 219324 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 567 | 17 | 5 | 6 | 5.2 | CCCCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | |||
| 44298781 | 200841 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 443 | 10 | 1 | 3 | 5.3 | CCCCCCCCN(C)C(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | |||
| CHEMBL292407 | 200841 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 443 | 10 | 1 | 3 | 5.3 | CCCCCCCCN(C)C(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | |||
| 10160636 | 232542 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 443 | 9 | 5 | 6 | 2.2 | N#CN/C(=N\c1ccc(CCNC[C@H](O)c2cccnc2)cc1)Nc1cccc(C(N)=O)c1 | 10.1016/s0960-894x(00)00669-7 | |||
| CHEMBL332010 | 232542 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 443 | 9 | 5 | 6 | 2.2 | N#CN/C(=N\c1ccc(CCNC[C@H](O)c2cccnc2)cc1)Nc1cccc(C(N)=O)c1 | 10.1016/s0960-894x(00)00669-7 | |||
| 46882028 | 20090 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 467 | 11 | 3 | 5 | 4.8 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1COc1ccccc1 | 10.1016/j.bmcl.2010.01.130 | |||
| CHEMBL1078495 | 20090 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 467 | 11 | 3 | 5 | 4.8 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1COc1ccccc1 | 10.1016/j.bmcl.2010.01.130 | |||
| 164612037 | 368668 | 0 | None | -1 | 14 | Human | 10.1 | pKd | = | 10.1 | Binding | ChEMBL | 326 | 8 | 4 | 4 | 1.8 | CCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL4860528 | 368668 | 0 | None | -1 | 14 | Human | 10.1 | pKd | = | 10.1 | Binding | ChEMBL | 326 | 8 | 4 | 4 | 1.8 | CCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/acs.jmedchem.1c00692 | |||
| 168290235 | 385513 | 0 | None | -5 | 20 | Human | 10.1 | pKd | = | 10.1 | Binding | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5222491 | 385513 | 0 | None | -5 | 20 | Human | 10.1 | pKd | = | 10.1 | Binding | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | |||
| 168294767 | 385564 | 0 | None | -5 | 20 | Human | 10.1 | pKd | = | 10.1 | Binding | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5222802 | 385564 | 0 | None | -5 | 20 | Human | 10.1 | pKd | = | 10.1 | Binding | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| 168295528 | 385575 | 0 | None | -5 | 20 | Human | 10.1 | pKd | = | 10.1 | Binding | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5222872 | 385575 | 0 | None | -5 | 20 | Human | 10.1 | pKd | = | 10.1 | Binding | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| 21595418 | 202699 | 0 | None | -2 | 2 | Guinea pig | 9.8 | pKd | = | 9.8 | Binding | ChEMBL | 271 | 4 | 2 | 3 | 2.7 | O[C@H](COc1cccc2ccccc12)[C@@H]1CCCCN1 | 10.1021/jm00119a011 | |||
| CHEMBL304344 | 202699 | 0 | None | -2 | 2 | Guinea pig | 9.8 | pKd | = | 9.8 | Binding | ChEMBL | 271 | 4 | 2 | 3 | 2.7 | O[C@H](COc1cccc2ccccc12)[C@@H]1CCCCN1 | 10.1021/jm00119a011 | |||
| 33624 | 8322 | 24 | None | -2 | 2 | Guinea pig | 9.4 | pKd | = | 9.4 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm00361a004 | |||
| 4061 | 8322 | 24 | None | -2 | 2 | Guinea pig | 9.4 | pKd | = | 9.4 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm00361a004 | |||
| 565 | 8322 | 24 | None | -2 | 2 | Guinea pig | 9.4 | pKd | = | 9.4 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm00361a004 | |||
| CHEMBL499 | 8322 | 24 | None | -2 | 2 | Guinea pig | 9.4 | pKd | = | 9.4 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm00361a004 | |||
| DB00373 | 8322 | 24 | None | -2 | 2 | Guinea pig | 9.4 | pKd | = | 9.4 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm00361a004 | |||
| 33624 | 8322 | 24 | None | -2 | 2 | Guinea pig | 9.4 | pKd | = | 9.4 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm00156a028 | |||
| 4061 | 8322 | 24 | None | -2 | 2 | Guinea pig | 9.4 | pKd | = | 9.4 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm00156a028 | |||
| 565 | 8322 | 24 | None | -2 | 2 | Guinea pig | 9.4 | pKd | = | 9.4 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm00156a028 | |||
| CHEMBL499 | 8322 | 24 | None | -2 | 2 | Guinea pig | 9.4 | pKd | = | 9.4 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm00156a028 | |||
| DB00373 | 8322 | 24 | None | -2 | 2 | Guinea pig | 9.4 | pKd | = | 9.4 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm00156a028 | |||
| 12179890 | 195034 | 0 | None | 3 | 2 | Human | 9.4 | pKd | = | 9.4 | Binding | ChEMBL | 223 | 6 | 2 | 3 | 1.7 | Cc1cccc(OC[C@@H](O)CNC(C)C)c1 | 10.1021/jm800227h | |||
| CHEMBL252319 | 195034 | 0 | None | 3 | 2 | Human | 9.4 | pKd | = | 9.4 | Binding | ChEMBL | 223 | 6 | 2 | 3 | 1.7 | Cc1cccc(OC[C@@H](O)CNC(C)C)c1 | 10.1021/jm800227h | |||
| 13157386 | 116578 | 3 | None | 138 | 2 | Guinea pig | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 479 | 12 | 3 | 7 | 4.4 | COc1ccc(CCNC[C@H](O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cc2)cc1OC | 10.1021/jm00361a004 | |||
| CHEMBL1789879 | 116578 | 3 | None | 138 | 2 | Guinea pig | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 479 | 12 | 3 | 7 | 4.4 | COc1ccc(CCNC[C@H](O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cc2)cc1OC | 10.1021/jm00361a004 | |||
| 12878481 | 122765 | 0 | None | 169 | 2 | Guinea pig | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 341 | 7 | 3 | 4 | 2.6 | OC(CNC1CC1)COc1ccc(-c2nc(C(F)(F)F)c[nH]2)cc1 | 10.1021/jm00361a004 | |||
| CHEMBL173424 | 122765 | 0 | None | 169 | 2 | Guinea pig | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 341 | 7 | 3 | 4 | 2.6 | OC(CNC1CC1)COc1ccc(-c2nc(C(F)(F)F)c[nH]2)cc1 | 10.1021/jm00361a004 | |||
| 135079 | 24789 | 0 | None | 9772 | 2 | Guinea pig | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 479 | 12 | 3 | 7 | 4.4 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
| CHEMBL11671 | 24789 | 0 | None | 9772 | 2 | Guinea pig | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 479 | 12 | 3 | 7 | 4.4 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
| 12878477 | 213263 | 0 | None | 10 | 2 | Guinea pig | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 357 | 6 | 3 | 4 | 3.2 | CC(C)(C)NC[C@H](O)COc1ccc(-c2nc(C(F)(F)F)c[nH]2)cc1 | 10.1021/jm00361a004 | |||
| CHEMBL3085291 | 213263 | 0 | None | 10 | 2 | Guinea pig | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 357 | 6 | 3 | 4 | 3.2 | CC(C)(C)NC[C@H](O)COc1ccc(-c2nc(C(F)(F)F)c[nH]2)cc1 | 10.1021/jm00361a004 | |||
| 123686 | 4050 | 42 | None | -1 | 5 | Guinea pig | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 354 | 9 | 4 | 5 | 1.7 | C1=CC=C(C=C1)NC(=O)NCCNCC(COC2=CC=CC=C2C#N)O | 10.1021/jm00156a028 | |||
| 12581 | 4050 | 42 | None | -1 | 5 | Guinea pig | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 354 | 9 | 4 | 5 | 1.7 | C1=CC=C(C=C1)NC(=O)NCCNCC(COC2=CC=CC=C2C#N)O | 10.1021/jm00156a028 | |||
| CHEMBL11268 | 4050 | 42 | None | -1 | 5 | Guinea pig | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 354 | 9 | 4 | 5 | 1.7 | C1=CC=C(C=C1)NC(=O)NCCNCC(COC2=CC=CC=C2C#N)O | 10.1021/jm00156a028 | |||
| 25271869 | 308816 | 3 | None | -38 | 2 | Human | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 299 | 6 | 2 | 3 | 3.5 | CC(C)(C)NC[C@@H](O)COc1ccccc1-c1ccccc1 | 10.1021/acsmedchemlett.6b00363 | |||
| CHEMBL4092412 | 308816 | 3 | None | -38 | 2 | Human | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 299 | 6 | 2 | 3 | 3.5 | CC(C)(C)NC[C@@H](O)COc1ccccc1-c1ccccc1 | 10.1021/acsmedchemlett.6b00363 | |||
| 2685 | 1837 | 22 | None | 724 | 3 | Human | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/acsmedchemlett.6b00363 | |||
| 541 | 1837 | 22 | None | 724 | 3 | Human | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/acsmedchemlett.6b00363 | |||
| CHEMBL280822 | 1837 | 22 | None | 724 | 3 | Human | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/acsmedchemlett.6b00363 | |||
| 13157406 | 23734 | 0 | None | 144 | 2 | Guinea pig | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 357 | 8 | 3 | 5 | 3.5 | CC(C)NCC(O)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00361a004 | |||
| CHEMBL11171 | 23734 | 0 | None | 144 | 2 | Guinea pig | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 357 | 8 | 3 | 5 | 3.5 | CC(C)NCC(O)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00361a004 | |||
| 13157406 | 23734 | 0 | None | 144 | 2 | Guinea pig | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 357 | 8 | 3 | 5 | 3.5 | CC(C)NCC(O)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00156a028 | |||
| CHEMBL11171 | 23734 | 0 | None | 144 | 2 | Guinea pig | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 357 | 8 | 3 | 5 | 3.5 | CC(C)NCC(O)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00156a028 | |||
| 13157406 | 23734 | 0 | None | 144 | 2 | Guinea pig | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 357 | 8 | 3 | 5 | 3.5 | CC(C)NCC(O)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00103a004 | |||
| CHEMBL11171 | 23734 | 0 | None | 144 | 2 | Guinea pig | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 357 | 8 | 3 | 5 | 3.5 | CC(C)NCC(O)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00103a004 | |||
| 13621703 | 23687 | 0 | None | None | None | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 439 | 12 | 3 | 6 | 3.8 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(C(C)C)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
| CHEMBL11145 | 23687 | 0 | None | None | None | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 439 | 12 | 3 | 6 | 3.8 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(C(C)C)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
| 13040879 | 47675 | 0 | None | -1 | 2 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 281 | 6 | 2 | 5 | 1.6 | COC(=O)c1ccccc1OCC(O)CNC(C)(C)C | 10.1021/jm00354a003 | |||
| CHEMBL13365 | 47675 | 0 | None | -1 | 2 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 281 | 6 | 2 | 5 | 1.6 | COC(=O)c1ccccc1OCC(O)CNC(C)(C)C | 10.1021/jm00354a003 | |||
| 2369 | 1284 | 48 | None | 1 | 5 | Human | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/acs.jmedchem.5b00201 | |||
| 356 | 1284 | 48 | None | 1 | 5 | Human | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/acs.jmedchem.5b00201 | |||
| 549 | 1284 | 48 | None | 1 | 5 | Human | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/acs.jmedchem.5b00201 | |||
| CHEMBL423 | 1284 | 48 | None | 1 | 5 | Human | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/acs.jmedchem.5b00201 | |||
| DB00195 | 1284 | 48 | None | 1 | 5 | Human | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/acs.jmedchem.5b00201 | |||
| 12521601 | 256582 | 0 | None | 20 | 2 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 371 | 7 | 3 | 5 | 3.9 | CC(C)(C)NCC(O)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00361a004 | |||
| CHEMBL366769 | 256582 | 0 | None | 20 | 2 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 371 | 7 | 3 | 5 | 3.9 | CC(C)(C)NCC(O)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00361a004 | |||
| 2685 | 1837 | 22 | None | 724 | 3 | Human | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/jm400348g | |||
| 541 | 1837 | 22 | None | 724 | 3 | Human | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/jm400348g | |||
| CHEMBL280822 | 1837 | 22 | None | 724 | 3 | Human | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/jm400348g | |||
| 3123920 | 5765 | 59 | None | 8 | 3 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 209 | 6 | 2 | 3 | 1.4 | OC(COc1ccccc1)CNC(C)C | 10.1021/jm00119a011 | |||
| 546 | 5765 | 59 | None | 8 | 3 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 209 | 6 | 2 | 3 | 1.4 | OC(COc1ccccc1)CNC(C)C | 10.1021/jm00119a011 | |||
| CHEMBL7154 | 5765 | 59 | None | 8 | 3 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 209 | 6 | 2 | 3 | 1.4 | OC(COc1ccccc1)CNC(C)C | 10.1021/jm00119a011 | |||
| 2369 | 1284 | 48 | None | -10 | 5 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00361a004 | |||
| 356 | 1284 | 48 | None | -10 | 5 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00361a004 | |||
| 549 | 1284 | 48 | None | -10 | 5 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00361a004 | |||
| CHEMBL423 | 1284 | 48 | None | -10 | 5 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00361a004 | |||
| DB00195 | 1284 | 48 | None | -10 | 5 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00361a004 | |||
| 2303 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00361a004 | |||
| 4946 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00361a004 | |||
| 564 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00361a004 | |||
| 63 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00361a004 | |||
| 91536 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00361a004 | |||
| CHEMBL27 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00361a004 | |||
| CHEMBL452861 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00361a004 | |||
| DB00571 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00361a004 | |||
| 2369 | 1284 | 48 | None | -10 | 5 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00156a028 | |||
| 356 | 1284 | 48 | None | -10 | 5 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00156a028 | |||
| 549 | 1284 | 48 | None | -10 | 5 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00156a028 | |||
| CHEMBL423 | 1284 | 48 | None | -10 | 5 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00156a028 | |||
| DB00195 | 1284 | 48 | None | -10 | 5 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00156a028 | |||
| 2303 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00156a028 | |||
| 4946 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00156a028 | |||
| 564 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00156a028 | |||
| 63 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00156a028 | |||
| 91536 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00156a028 | |||
| CHEMBL27 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00156a028 | |||
| CHEMBL452861 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00156a028 | |||
| DB00571 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00156a028 | |||
| 18047 | 461728 | 19 | None | 2 | 5 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 223 | 6 | 2 | 3 | 1.7 | Cc1cccc(OCC(O)CNC(C)C)c1 | 10.1021/jm00119a011 | |||
| 3616 | 461728 | 19 | None | 2 | 5 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 223 | 6 | 2 | 3 | 1.7 | Cc1cccc(OCC(O)CNC(C)C)c1 | 10.1021/jm00119a011 | |||
| CHEMBL67096 | 461728 | 19 | None | 2 | 5 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 223 | 6 | 2 | 3 | 1.7 | Cc1cccc(OCC(O)CNC(C)C)c1 | 10.1021/jm00119a011 | |||
| 13267804 | 461767 | 0 | None | -1 | 2 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 271 | 4 | 2 | 3 | 2.7 | O[C@H](COc1cccc2ccccc12)[C@H]1CCCCN1 | 10.1021/jm00119a011 | |||
| CHEMBL69635 | 461767 | 0 | None | -1 | 2 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 271 | 4 | 2 | 3 | 2.7 | O[C@H](COc1cccc2ccccc12)[C@H]1CCCCN1 | 10.1021/jm00119a011 | |||
| 123686 | 4050 | 42 | None | 1 | 5 | Human | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 354 | 9 | 4 | 5 | 1.7 | C1=CC=C(C=C1)NC(=O)NCCNCC(COC2=CC=CC=C2C#N)O | 10.1021/jm400348g | |||
| 12581 | 4050 | 42 | None | 1 | 5 | Human | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 354 | 9 | 4 | 5 | 1.7 | C1=CC=C(C=C1)NC(=O)NCCNCC(COC2=CC=CC=C2C#N)O | 10.1021/jm400348g | |||
| CHEMBL11268 | 4050 | 42 | None | 1 | 5 | Human | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 354 | 9 | 4 | 5 | 1.7 | C1=CC=C(C=C1)NC(=O)NCCNCC(COC2=CC=CC=C2C#N)O | 10.1021/jm400348g | |||
| 13157364 | 155093 | 0 | None | 30 | 2 | Guinea pig | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 341 | 7 | 3 | 4 | 2.6 | O[C@@H](CNC1CC1)COc1ccc(-c2nc(C(F)(F)F)c[nH]2)cc1 | 10.1021/jm00361a004 | |||
| CHEMBL2096752 | 155093 | 0 | None | 30 | 2 | Guinea pig | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 341 | 7 | 3 | 4 | 2.6 | O[C@@H](CNC1CC1)COc1ccc(-c2nc(C(F)(F)F)c[nH]2)cc1 | 10.1021/jm00361a004 | |||
| 13621676 | 23522 | 0 | None | 1122 | 2 | Guinea pig | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 475 | 11 | 3 | 6 | 3.4 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(Br)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
| CHEMBL11051 | 23522 | 0 | None | 1122 | 2 | Guinea pig | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 475 | 11 | 3 | 6 | 3.4 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(Br)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
| 2303 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00354a003 | |||
| 4946 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00354a003 | |||
| 564 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00354a003 | |||
| 63 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00354a003 | |||
| 91536 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00354a003 | |||
| CHEMBL27 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00354a003 | |||
| CHEMBL452861 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00354a003 | |||
| DB00571 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00354a003 | |||
| 2303 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00208a015 | |||
| 4946 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00208a015 | |||
| 564 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00208a015 | |||
| 63 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00208a015 | |||
| 91536 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00208a015 | |||
| CHEMBL27 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00208a015 | |||
| CHEMBL452861 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00208a015 | |||
| DB00571 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00208a015 | |||
| 105110 | 200305 | 3 | None | -1 | 2 | Guinea pig | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 273 | 7 | 2 | 3 | 2.8 | CC(C)CNCC(O)COc1cccc2ccccc12 | 10.1021/jm00354a002 | |||
| 62882 | 200305 | 3 | None | -1 | 2 | Guinea pig | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 273 | 7 | 2 | 3 | 2.8 | CC(C)CNCC(O)COc1cccc2ccccc12 | 10.1021/jm00354a002 | |||
| CHEMBL287651 | 200305 | 3 | None | -1 | 2 | Guinea pig | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 273 | 7 | 2 | 3 | 2.8 | CC(C)CNCC(O)COc1cccc2ccccc12 | 10.1021/jm00354a002 | |||
| 13040919 | 215751 | 0 | None | -19 | 2 | Guinea pig | 8.0 | pKd | = | 8 | Binding | ChEMBL | 339 | 9 | 2 | 7 | 1.1 | CCOC(=O)C(C)(C)NCC(O)COc1ccccc1C(=O)OC | 10.1021/jm00354a003 | |||
| CHEMBL31335 | 215751 | 0 | None | -19 | 2 | Guinea pig | 8.0 | pKd | = | 8 | Binding | ChEMBL | 339 | 9 | 2 | 7 | 1.1 | CCOC(=O)C(C)(C)NCC(O)COc1ccccc1C(=O)OC | 10.1021/jm00354a003 | |||
| 12462222 | 222119 | 0 | None | 39 | 2 | Guinea pig | 8.0 | pKd | = | 8 | Binding | ChEMBL | 223 | 5 | 2 | 3 | 2.0 | COc1cc(C)ccc1C(O)CNC(C)C | 10.1021/jm00208a015 | |||
| CHEMBL3302868 | 222119 | 0 | None | 39 | 2 | Guinea pig | 8.0 | pKd | = | 8 | Binding | ChEMBL | 223 | 5 | 2 | 3 | 2.0 | COc1cc(C)ccc1C(O)CNC(C)C | 10.1021/jm00208a015 | |||
| 235055 | 217044 | 3 | None | 3 | 2 | Guinea pig | 8.0 | pKd | = | 8 | Binding | ChEMBL | 223 | 7 | 2 | 3 | 1.7 | CC(C)CNCC(O)COc1ccccc1 | 10.1021/jm00354a002 | |||
| CHEMBL31811 | 217044 | 3 | None | 3 | 2 | Guinea pig | 8.0 | pKd | = | 8 | Binding | ChEMBL | 223 | 7 | 2 | 3 | 1.7 | CC(C)CNCC(O)COc1ccccc1 | 10.1021/jm00354a002 | |||
| 13621706 | 23365 | 0 | None | 154 | 2 | Guinea pig | 8.0 | pKd | = | 8 | Binding | ChEMBL | 317 | 8 | 3 | 4 | 2.9 | CC(C)NCC(O)COc1ccc(-c2nc(C(C)C)c[nH]2)cc1 | 10.1021/jm00156a028 | |||
| CHEMBL10988 | 23365 | 0 | None | 154 | 2 | Guinea pig | 8.0 | pKd | = | 8 | Binding | ChEMBL | 317 | 8 | 3 | 4 | 2.9 | CC(C)NCC(O)COc1ccc(-c2nc(C(C)C)c[nH]2)cc1 | 10.1021/jm00156a028 | |||
| 5464103 | 174425 | 19 | None | 1 | 2 | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 228 | 6 | 2 | 4 | 1.5 | C/C(=N/OCC(O)CNC(C)(C)C)C1CC1 | 10.1021/jm00376a011 | |||
| CHEMBL24045 | 174425 | 19 | None | 1 | 2 | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 228 | 6 | 2 | 4 | 1.5 | C/C(=N/OCC(O)CNC(C)(C)C)C1CC1 | 10.1021/jm00376a011 | |||
| 6917762 | 23629 | 5 | None | -1 | 2 | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 228 | 6 | 2 | 4 | 1.5 | C/C(=N\OCC(O)CNC(C)(C)C)C1CC1 | 10.1021/jm00145a008 | |||
| CHEMBL111103 | 23629 | 5 | None | -1 | 2 | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 228 | 6 | 2 | 4 | 1.5 | C/C(=N\OCC(O)CNC(C)(C)C)C1CC1 | 10.1021/jm00145a008 | |||
| 6917762 | 23629 | 5 | None | -1 | 2 | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 228 | 6 | 2 | 4 | 1.5 | C/C(=N\OCC(O)CNC(C)(C)C)C1CC1 | 10.1021/jm00115a008 | |||
| CHEMBL111103 | 23629 | 5 | None | -1 | 2 | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 228 | 6 | 2 | 4 | 1.5 | C/C(=N\OCC(O)CNC(C)(C)C)C1CC1 | 10.1021/jm00115a008 | |||
| 6917762 | 23629 | 5 | None | -1 | 2 | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 228 | 6 | 2 | 4 | 1.5 | C/C(=N\OCC(O)CNC(C)(C)C)C1CC1 | 10.1021/jm00115a008 | |||
| CHEMBL111103 | 23629 | 5 | None | -1 | 2 | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 228 | 6 | 2 | 4 | 1.5 | C/C(=N\OCC(O)CNC(C)(C)C)C1CC1 | 10.1021/jm00115a008 | |||
| 13157371 | 122817 | 0 | None | 3235 | 2 | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 397 | 11 | 3 | 6 | 2.7 | COc1ccc(CCNCC(O)COc2ccc(-c3ncc[nH]3)cc2)cc1OC | 10.1021/jm00361a004 | |||
| CHEMBL173629 | 122817 | 0 | None | 3235 | 2 | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 397 | 11 | 3 | 6 | 2.7 | COc1ccc(CCNCC(O)COc2ccc(-c3ncc[nH]3)cc2)cc1OC | 10.1021/jm00361a004 | |||
| 13621757 | 468454 | 0 | None | None | None | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 453 | 13 | 3 | 7 | 2.8 | COc1ccc(CCNC[C@H](O)COc2ccc(Cc3nc(C(C)=O)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
| CHEMBL65774 | 468454 | 0 | None | None | None | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 453 | 13 | 3 | 7 | 2.8 | COc1ccc(CCNC[C@H](O)COc2ccc(Cc3nc(C(C)=O)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
| 13621651 | 23444 | 0 | None | None | None | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 441 | 13 | 3 | 7 | 2.8 | COCc1c[nH]c(-c2ccc(OCC(O)CNCCc3ccc(OC)c(OC)c3)cc2)n1 | 10.1021/jm00156a028 | |||
| CHEMBL10998 | 23444 | 0 | None | None | None | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 441 | 13 | 3 | 7 | 2.8 | COCc1c[nH]c(-c2ccc(OCC(O)CNCCc3ccc(OC)c(OC)c3)cc2)n1 | 10.1021/jm00156a028 | |||
| 1054 | 3263 | 41 | None | 6 | 2 | Guinea pig | 7.0 | pKd | = | 7 | Binding | ChEMBL | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00354a003 | |||
| 59768 | 3263 | 41 | None | 6 | 2 | Guinea pig | 7.0 | pKd | = | 7 | Binding | ChEMBL | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00354a003 | |||
| 7178 | 3263 | 41 | None | 6 | 2 | Guinea pig | 7.0 | pKd | = | 7 | Binding | ChEMBL | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00354a003 | |||
| CHEMBL768 | 3263 | 41 | None | 6 | 2 | Guinea pig | 7.0 | pKd | = | 7 | Binding | ChEMBL | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00354a003 | |||
| DB00187 | 3263 | 41 | None | 6 | 2 | Guinea pig | 7.0 | pKd | = | 7 | Binding | ChEMBL | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00354a003 | |||
| 1054 | 3263 | 41 | None | 6 | 2 | Guinea pig | 7.0 | pKd | = | 7 | Binding | ChEMBL | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00103a004 | |||
| 59768 | 3263 | 41 | None | 6 | 2 | Guinea pig | 7.0 | pKd | = | 7 | Binding | ChEMBL | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00103a004 | |||
| 7178 | 3263 | 41 | None | 6 | 2 | Guinea pig | 7.0 | pKd | = | 7 | Binding | ChEMBL | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00103a004 | |||
| CHEMBL768 | 3263 | 41 | None | 6 | 2 | Guinea pig | 7.0 | pKd | = | 7 | Binding | ChEMBL | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00103a004 | |||
| DB00187 | 3263 | 41 | None | 6 | 2 | Guinea pig | 7.0 | pKd | = | 7 | Binding | ChEMBL | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00103a004 | |||
| 44307782 | 468566 | 2 | None | 2 | 2 | Guinea pig | 7.0 | pKd | = | 7 | Binding | ChEMBL | 223 | 6 | 1 | 3 | 1.8 | CC(C)N(C)CC(O)COc1ccccc1 | 10.1021/jm00119a011 | |||
| CHEMBL66662 | 468566 | 2 | None | 2 | 2 | Guinea pig | 7.0 | pKd | = | 7 | Binding | ChEMBL | 223 | 6 | 1 | 3 | 1.8 | CC(C)N(C)CC(O)COc1ccccc1 | 10.1021/jm00119a011 | |||
| 44279341 | 200275 | 0 | None | None | None | Guinea pig | 7.0 | pKd | = | 7 | Binding | ChEMBL | 403 | 13 | 2 | 7 | 2.2 | COc1ccc(CCOC(=O)CCNCC(O)COc2ccccc2)cc1OC | 10.1021/jm00354a002 | |||
| CHEMBL287452 | 200275 | 0 | None | None | None | Guinea pig | 7.0 | pKd | = | 7 | Binding | ChEMBL | 403 | 13 | 2 | 7 | 2.2 | COc1ccc(CCOC(=O)CCNCC(O)COc2ccccc2)cc1OC | 10.1021/jm00354a002 | |||
| 3486 | 6418 | 47 | None | -6 | 6 | Guinea pig | 6.0 | pKd | = | 6 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00103a004 | |||
| 4883 | 6418 | 47 | None | -6 | 6 | Guinea pig | 6.0 | pKd | = | 6 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00103a004 | |||
| 555 | 6418 | 47 | None | -6 | 6 | Guinea pig | 6.0 | pKd | = | 6 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00103a004 | |||
| CHEMBL6995 | 6418 | 47 | None | -6 | 6 | Guinea pig | 6.0 | pKd | = | 6 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00103a004 | |||
| DB01297 | 6418 | 47 | None | -6 | 6 | Guinea pig | 6.0 | pKd | = | 6 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00103a004 | |||
| 12484287 | 219276 | 0 | None | -2 | 2 | Guinea pig | 6.0 | pKd | = | 6 | Binding | ChEMBL | 249 | 6 | 3 | 4 | 1.3 | CC(C)NCC(O)COc1ccc2[nH]cnc2c1 | 10.1021/jm00188a019 | |||
| CHEMBL3228930 | 219276 | 0 | None | -2 | 2 | Guinea pig | 6.0 | pKd | = | 6 | Binding | ChEMBL | 249 | 6 | 3 | 4 | 1.3 | CC(C)NCC(O)COc1ccc2[nH]cnc2c1 | 10.1021/jm00188a019 | |||
| 214809 | 220001 | 2 | None | 1 | 2 | Rat | 5.0 | pKd | = | 5 | Binding | ChEMBL | 252 | 7 | 3 | 4 | 0.5 | CC(C)NCC(O)COc1ccc(C(N)=O)cc1 | 10.1021/jm00207a025 | |||
| CHEMBL3247302 | 220001 | 2 | None | 1 | 2 | Rat | 5.0 | pKd | = | 5 | Binding | ChEMBL | 252 | 7 | 3 | 4 | 0.5 | CC(C)NCC(O)COc1ccc(C(N)=O)cc1 | 10.1021/jm00207a025 | |||
| 44383643 | 330508 | 0 | None | -15 | 2 | Guinea pig | 4.0 | pKd | = | 4 | Binding | ChEMBL | 238 | 7 | 1 | 3 | 3.0 | CC(C)(C)NCCCON=C(C1CC1)C1CC1 | 10.1021/jm00145a008 | |||
| CHEMBL424369 | 330508 | 0 | None | -15 | 2 | Guinea pig | 4.0 | pKd | = | 4 | Binding | ChEMBL | 238 | 7 | 1 | 3 | 3.0 | CC(C)(C)NCCCON=C(C1CC1)C1CC1 | 10.1021/jm00145a008 | |||
| 56597178 | 179121 | 0 | None | 10 | 2 | Human | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 473 | 14 | 5 | 7 | 2.9 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccccc1O | 10.1021/jm400348g | |||
| CHEMBL2348209 | 179121 | 0 | None | 10 | 2 | Human | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 473 | 14 | 5 | 7 | 2.9 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccccc1O | 10.1021/jm400348g | |||
| 13974078 | 23728 | 0 | None | None | None | Guinea pig | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 388 | 7 | 4 | 6 | 2.5 | CC(C)(C)NCC(O)COCC1CN=C(Nc2c(Cl)cccc2Cl)N1 | 10.1021/jm00115a008 | |||
| CHEMBL111697 | 23728 | 0 | None | None | None | Guinea pig | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 388 | 7 | 4 | 6 | 2.5 | CC(C)(C)NCC(O)COCC1CN=C(Nc2c(Cl)cccc2Cl)N1 | 10.1021/jm00115a008 | |||
| 3486 | 6418 | 47 | None | -6 | 6 | Guinea pig | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00361a004 | |||
| 4883 | 6418 | 47 | None | -6 | 6 | Guinea pig | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00361a004 | |||
| 555 | 6418 | 47 | None | -6 | 6 | Guinea pig | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00361a004 | |||
| CHEMBL6995 | 6418 | 47 | None | -6 | 6 | Guinea pig | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00361a004 | |||
| DB01297 | 6418 | 47 | None | -6 | 6 | Guinea pig | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00361a004 | |||
| 551640 | 468528 | 19 | None | 1 | 2 | Guinea pig | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 223 | 7 | 2 | 3 | 1.6 | CC(C)NCC(O)COCc1ccccc1 | 10.1021/jm00119a011 | |||
| CHEMBL66331 | 468528 | 19 | None | 1 | 2 | Guinea pig | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 223 | 7 | 2 | 3 | 1.6 | CC(C)NCC(O)COCc1ccccc1 | 10.1021/jm00119a011 | |||
| 137 | 765 | 35 | None | -15 | 3 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm2008562 | |||
| 2119 | 765 | 35 | None | -15 | 3 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm2008562 | |||
| 563 | 765 | 35 | None | -15 | 3 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm2008562 | |||
| 66368 | 765 | 35 | None | -15 | 3 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm2008562 | |||
| CHEMBL266195 | 765 | 35 | None | -15 | 3 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm2008562 | |||
| DB00866 | 765 | 35 | None | -15 | 3 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm2008562 | |||
| 71662249 | 179114 | 0 | None | 109 | 2 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 491 | 14 | 4 | 6 | 3.8 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccc(Cl)cc1 | 10.1021/jm400348g | |||
| CHEMBL2348202 | 179114 | 0 | None | 109 | 2 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 491 | 14 | 4 | 6 | 3.8 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccc(Cl)cc1 | 10.1021/jm400348g | |||
| 13621642 | 20535 | 1 | None | 2754 | 2 | Guinea pig | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 453 | 12 | 3 | 7 | 3.2 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(C(C)=O)c(C)[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
| CHEMBL10813 | 20535 | 1 | None | 2754 | 2 | Guinea pig | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 453 | 12 | 3 | 7 | 3.2 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(C(C)=O)c(C)[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
| 13590033 | 24140 | 0 | None | 19 | 2 | Guinea pig | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 398 | 11 | 2 | 7 | 2.9 | COc1ccc(CCNCC(O)COc2ccc(-c3ncco3)cc2)cc1OC | 10.1021/jm00156a028 | |||
| CHEMBL11401 | 24140 | 0 | None | 19 | 2 | Guinea pig | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 398 | 11 | 2 | 7 | 2.9 | COc1ccc(CCNCC(O)COc2ccc(-c3ncco3)cc2)cc1OC | 10.1021/jm00156a028 | |||
| 71662410 | 179118 | 0 | None | 12 | 2 | Human | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 525 | 14 | 4 | 6 | 4.2 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccccc1C(F)(F)F | 10.1021/jm400348g | |||
| CHEMBL2348206 | 179118 | 0 | None | 12 | 2 | Human | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 525 | 14 | 4 | 6 | 4.2 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccccc1C(F)(F)F | 10.1021/jm400348g | |||
| 13621767 | 23634 | 0 | None | None | None | Guinea pig | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 503 | 13 | 3 | 6 | 3.5 | COc1ccc(CCNCC(O)COc2ccc(CCc3nc(Br)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
| CHEMBL11112 | 23634 | 0 | None | None | None | Guinea pig | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 503 | 13 | 3 | 6 | 3.5 | COc1ccc(CCNCC(O)COc2ccc(CCc3nc(Br)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
| 71662409 | 179116 | 0 | None | 85 | 2 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 535 | 14 | 4 | 6 | 3.9 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1cccc(Br)c1 | 10.1021/jm400348g | |||
| CHEMBL2348204 | 179116 | 0 | None | 85 | 2 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 535 | 14 | 4 | 6 | 3.9 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1cccc(Br)c1 | 10.1021/jm400348g | |||
| 70695511 | 155080 | 0 | None | 1 | 2 | Guinea pig | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 254 | 7 | 2 | 4 | 1.9 | CC(C)(C)NC[C@H](O)CON=C(C1CC1)C1CC1 | 10.1021/jm00145a008 | |||
| CHEMBL2093060 | 155080 | 0 | None | 1 | 2 | Guinea pig | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 254 | 7 | 2 | 4 | 1.9 | CC(C)(C)NC[C@H](O)CON=C(C1CC1)C1CC1 | 10.1021/jm00145a008 | |||
| 56598967 | 179123 | 0 | None | 275 | 2 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 457 | 14 | 4 | 6 | 3.2 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccccc1 | 10.1021/jm400348g | |||
| CHEMBL2348211 | 179123 | 0 | None | 275 | 2 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 457 | 14 | 4 | 6 | 3.2 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccccc1 | 10.1021/jm400348g | |||
| 13040886 | 199924 | 0 | None | -1 | 2 | Guinea pig | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 279 | 8 | 2 | 5 | 1.7 | C=COC(=O)c1ccccc1OCC(O)CNC(C)C | 10.1021/jm00354a003 | |||
| CHEMBL284909 | 199924 | 0 | None | -1 | 2 | Guinea pig | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 279 | 8 | 2 | 5 | 1.7 | C=COC(=O)c1ccccc1OCC(O)CNC(C)C | 10.1021/jm00354a003 | |||
| 66653395 | 179122 | 0 | None | 109 | 2 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 473 | 14 | 5 | 7 | 2.9 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1cccc(O)c1 | 10.1021/jm400348g | |||
| CHEMBL2348210 | 179122 | 0 | None | 109 | 2 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 473 | 14 | 5 | 7 | 2.9 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1cccc(O)c1 | 10.1021/jm400348g | |||
| 13621715 | 19473 | 1 | None | 436 | 2 | Guinea pig | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 387 | 11 | 3 | 6 | 3.2 | CCOCCNCC(O)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00156a028 | |||
| CHEMBL10574 | 19473 | 1 | None | 436 | 2 | Guinea pig | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 387 | 11 | 3 | 6 | 3.2 | CCOCCNCC(O)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00156a028 | |||
| 13621721 | 317625 | 1 | None | 2630 | 2 | Guinea pig | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 420 | 10 | 3 | 6 | 3.8 | OC(CNCCc1ccncc1)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00156a028 | |||
| CHEMBL416151 | 317625 | 1 | None | 2630 | 2 | Guinea pig | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 420 | 10 | 3 | 6 | 3.8 | OC(CNCCc1ccncc1)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00156a028 | |||
| 9816183 | 200700 | 5 | None | -2 | 2 | Human | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 240 | 3 | 4 | 6 | 1.0 | CNCC(O)c1ccc(O)c2nc(O)sc12 | 10.1016/s0960-894x(99)00205-x | |||
| CHEMBL29141 | 200700 | 5 | None | -2 | 2 | Human | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 240 | 3 | 4 | 6 | 1.0 | CNCC(O)c1ccc(O)c2nc(O)sc12 | 10.1016/s0960-894x(99)00205-x | |||
| 44459582 | 193975 | 0 | None | -13 | 2 | Guinea pig | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 312 | 8 | 2 | 5 | 2.5 | CC(C)(C)NCC(O)CO/N=C(/CC(=O)C(C)(C)C)C1CC1 | 10.1021/jm00376a011 | |||
| CHEMBL24644 | 193975 | 0 | None | -13 | 2 | Guinea pig | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 312 | 8 | 2 | 5 | 2.5 | CC(C)(C)NCC(O)CO/N=C(/CC(=O)C(C)(C)C)C1CC1 | 10.1021/jm00376a011 | |||
| 192962 | 219977 | 7 | None | 2 | 2 | Guinea pig | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 193 | 4 | 2 | 2 | 2.0 | Cc1ccc(C(O)CNC(C)C)cc1 | 10.1021/jm00208a015 | |||
| CHEMBL3246231 | 219977 | 7 | None | 2 | 2 | Guinea pig | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 193 | 4 | 2 | 2 | 2.0 | Cc1ccc(C(O)CNC(C)C)cc1 | 10.1021/jm00208a015 | |||
| 2725073 | 199368 | 44 | None | 10 | 2 | Guinea pig | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 167 | 4 | 2 | 3 | 0.4 | NCC(O)COc1ccccc1 | 10.1021/jm00354a002 | |||
| CHEMBL281109 | 199368 | 44 | None | 10 | 2 | Guinea pig | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 167 | 4 | 2 | 3 | 0.4 | NCC(O)COc1ccccc1 | 10.1021/jm00354a002 | |||
| 15569840 | 328284 | 0 | None | None | None | Guinea pig | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 329 | 8 | 2 | 5 | 2.3 | COC(=O)c1ccc(CNCC(O)COc2ccccc2C)cc1 | 10.1021/jm00354a002 | |||
| CHEMBL418770 | 328284 | 0 | None | None | None | Guinea pig | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 329 | 8 | 2 | 5 | 2.3 | COC(=O)c1ccc(CNCC(O)COc2ccccc2C)cc1 | 10.1021/jm00354a002 | |||
| 13040888 | 216527 | 0 | None | -1 | 2 | Guinea pig | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 279 | 8 | 2 | 5 | 1.7 | C=COC(=O)c1cccc(OCC(O)CNC(C)C)c1 | 10.1021/jm00354a003 | |||
| CHEMBL31450 | 216527 | 0 | None | -1 | 2 | Guinea pig | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 279 | 8 | 2 | 5 | 1.7 | C=COC(=O)c1cccc(OCC(O)CNC(C)C)c1 | 10.1021/jm00354a003 | |||
| 13040905 | 216218 | 0 | None | 10 | 2 | Guinea pig | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 343 | 10 | 2 | 5 | 2.3 | COC(=O)CCc1ccc(OCC(O)CNCc2ccccc2)cc1 | 10.1021/jm00354a003 | |||
| CHEMBL31416 | 216218 | 0 | None | 10 | 2 | Guinea pig | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 343 | 10 | 2 | 5 | 2.3 | COC(=O)CCc1ccc(OCC(O)CNCc2ccccc2)cc1 | 10.1021/jm00354a003 | |||
| 13040911 | 216871 | 0 | None | None | None | Guinea pig | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 353 | 12 | 2 | 7 | 1.1 | CCOC(=O)CCNCC(O)COc1ccc(CCC(=O)OC)cc1 | 10.1021/jm00354a003 | |||
| CHEMBL31677 | 216871 | 0 | None | None | None | Guinea pig | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 353 | 12 | 2 | 7 | 1.1 | CCOC(=O)CCNCC(O)COc1ccc(CCC(=O)OC)cc1 | 10.1021/jm00354a003 | |||
| 15578602 | 199578 | 1 | None | -1 | 2 | Guinea pig | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 267 | 8 | 2 | 5 | 0.9 | CCOC(=O)CNCC(O)COc1ccccc1C | 10.1021/jm00354a002 | |||
| CHEMBL282537 | 199578 | 1 | None | -1 | 2 | Guinea pig | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 267 | 8 | 2 | 5 | 0.9 | CCOC(=O)CNCC(O)COc1ccccc1C | 10.1021/jm00354a002 | |||
| 15578567 | 216627 | 0 | None | None | None | Guinea pig | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 339 | 10 | 2 | 7 | 0.8 | CCOC(=O)C(NCC(O)COc1ccccc1C)C(=O)OCC | 10.1021/jm00354a002 | |||
| CHEMBL31508 | 216627 | 0 | None | None | None | Guinea pig | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 339 | 10 | 2 | 7 | 0.8 | CCOC(=O)C(NCC(O)COc1ccccc1C)C(=O)OCC | 10.1021/jm00354a002 | |||
| 15578620 | 216740 | 0 | None | None | None | Guinea pig | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 343 | 9 | 2 | 5 | 2.7 | CCOC(=O)c1ccc(CNCC(O)COc2ccccc2C)cc1 | 10.1021/jm00354a002 | |||
| CHEMBL31591 | 216740 | 0 | None | None | None | Guinea pig | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 343 | 9 | 2 | 5 | 2.7 | CCOC(=O)c1ccc(CNCC(O)COc2ccccc2C)cc1 | 10.1021/jm00354a002 | |||
| 44459632 | 196794 | 0 | None | -2 | 2 | Guinea pig | 4.9 | pKd | = | 4.9 | Binding | ChEMBL | 230 | 7 | 3 | 4 | 1.1 | CC(NOCC(O)CNC(C)(C)C)C1CC1 | 10.1021/jm00376a011 | |||
| CHEMBL26224 | 196794 | 0 | None | -2 | 2 | Guinea pig | 4.9 | pKd | = | 4.9 | Binding | ChEMBL | 230 | 7 | 3 | 4 | 1.1 | CC(NOCC(O)CNC(C)(C)C)C1CC1 | 10.1021/jm00376a011 | |||
| 13621656 | 23597 | 0 | None | 1348 | 2 | Guinea pig | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 455 | 14 | 3 | 7 | 3.2 | CCOCc1c[nH]c(-c2ccc(OCC(O)CNCCc3ccc(OC)c(OC)c3)cc2)n1 | 10.1021/jm00156a028 | |||
| CHEMBL11093 | 23597 | 0 | None | 1348 | 2 | Guinea pig | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 455 | 14 | 3 | 7 | 3.2 | CCOCc1c[nH]c(-c2ccc(OCC(O)CNCCc3ccc(OC)c(OC)c3)cc2)n1 | 10.1021/jm00156a028 | |||
| 5487795 | 184070 | 0 | None | -79 | 2 | Guinea pig | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 284 | 5 | 2 | 4 | 3.0 | CC1C/C(=N/OCC(O)CNC(C)(C)C)CC(C)(C)C1 | 10.1021/jm00376a011 | |||
| CHEMBL24500 | 184070 | 0 | None | -79 | 2 | Guinea pig | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 284 | 5 | 2 | 4 | 3.0 | CC1C/C(=N/OCC(O)CNC(C)(C)C)CC(C)(C)C1 | 10.1021/jm00376a011 | |||
| 12606686 | 183668 | 0 | None | -31 | 2 | Guinea pig | 4.9 | pKd | = | 4.9 | Binding | ChEMBL | 189 | 5 | 2 | 3 | 1.2 | CC(C)OCC(O)CNC(C)(C)C | 10.1021/jm00376a011 | |||
| CHEMBL24391 | 183668 | 0 | None | -31 | 2 | Guinea pig | 4.9 | pKd | = | 4.9 | Binding | ChEMBL | 189 | 5 | 2 | 3 | 1.2 | CC(C)OCC(O)CNC(C)(C)C | 10.1021/jm00376a011 | |||
| 5473526 | 314218 | 0 | None | -2 | 2 | Human | 4.9 | pKd | = | 4.9 | Binding | ChEMBL | 286 | 2 | 0 | 1 | 4.6 | C[n+]1c(/C=C/c2ccccc2Cl)sc2ccccc21 | 10.1021/acsmedchemlett.6b00363 | |||
| CHEMBL4089434 | 314218 | 0 | None | -2 | 2 | Human | 4.9 | pKd | = | 4.9 | Binding | ChEMBL | 286 | 2 | 0 | 1 | 4.6 | C[n+]1c(/C=C/c2ccccc2Cl)sc2ccccc21 | 10.1021/acsmedchemlett.6b00363 | |||
| 2303 | 6476 | 48 | None | -6 | 8 | Guinea pig | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00188a019 | |||
| 4946 | 6476 | 48 | None | -6 | 8 | Guinea pig | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00188a019 | |||
| 564 | 6476 | 48 | None | -6 | 8 | Guinea pig | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00188a019 | |||
| 63 | 6476 | 48 | None | -6 | 8 | Guinea pig | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00188a019 | |||
| 91536 | 6476 | 48 | None | -6 | 8 | Guinea pig | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00188a019 | |||
| CHEMBL27 | 6476 | 48 | None | -6 | 8 | Guinea pig | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00188a019 | |||
| CHEMBL452861 | 6476 | 48 | None | -6 | 8 | Guinea pig | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00188a019 | |||
| DB00571 | 6476 | 48 | None | -6 | 8 | Guinea pig | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00188a019 | |||
| 1786 | 5120 | 49 | None | -2 | 5 | Guinea pig | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00361a004 | |||
| 4171 | 5120 | 49 | None | -2 | 5 | Guinea pig | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00361a004 | |||
| 553 | 5120 | 49 | None | -2 | 5 | Guinea pig | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00361a004 | |||
| CHEMBL13 | 5120 | 49 | None | -2 | 5 | Guinea pig | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00361a004 | |||
| DB00264 | 5120 | 49 | None | -2 | 5 | Guinea pig | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00361a004 | |||
| 1786 | 5120 | 49 | None | -2 | 5 | Guinea pig | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00156a028 | |||
| 4171 | 5120 | 49 | None | -2 | 5 | Guinea pig | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00156a028 | |||
| 553 | 5120 | 49 | None | -2 | 5 | Guinea pig | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00156a028 | |||
| CHEMBL13 | 5120 | 49 | None | -2 | 5 | Guinea pig | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00156a028 | |||
| DB00264 | 5120 | 49 | None | -2 | 5 | Guinea pig | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00156a028 | |||
| 13621620 | 23297 | 0 | None | 1174 | 2 | Guinea pig | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 425 | 11 | 3 | 6 | 3.3 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(C)c(C)[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
| CHEMBL10983 | 23297 | 0 | None | 1174 | 2 | Guinea pig | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 425 | 11 | 3 | 6 | 3.3 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(C)c(C)[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
| 15112598 | 23626 | 0 | None | 2 | 3 | Guinea pig | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 444 | 9 | 3 | 7 | 3.3 | C/C(=N\OCC(O)CNC(C)(C)C)c1cc(Cl)c(OC(C)C2=NCCN2)c(Cl)c1 | 10.1021/jm00115a008 | |||
| CHEMBL111090 | 23626 | 0 | None | 2 | 3 | Guinea pig | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 444 | 9 | 3 | 7 | 3.3 | C/C(=N\OCC(O)CNC(C)(C)C)c1cc(Cl)c(OC(C)C2=NCCN2)c(Cl)c1 | 10.1021/jm00115a008 | |||
| 12462220 | 222093 | 1 | None | -1 | 2 | Guinea pig | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 287 | 5 | 2 | 3 | 2.5 | COc1ccc(Br)cc1C(O)CNC(C)C | 10.1021/jm00208a015 | |||
| CHEMBL3302368 | 222093 | 1 | None | -1 | 2 | Guinea pig | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 287 | 5 | 2 | 3 | 2.5 | COc1ccc(Br)cc1C(O)CNC(C)C | 10.1021/jm00208a015 | |||
| 15112598 | 23626 | 0 | None | 2 | 3 | Guinea pig | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 444 | 9 | 3 | 7 | 3.3 | C/C(=N\OCC(O)CNC(C)(C)C)c1cc(Cl)c(OC(C)C2=NCCN2)c(Cl)c1 | 10.1021/jm00115a008 | |||
| CHEMBL111090 | 23626 | 0 | None | 2 | 3 | Guinea pig | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 444 | 9 | 3 | 7 | 3.3 | C/C(=N\OCC(O)CNC(C)(C)C)c1cc(Cl)c(OC(C)C2=NCCN2)c(Cl)c1 | 10.1021/jm00115a008 | |||
| 71662248 | 179109 | 0 | None | 75 | 2 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 475 | 14 | 4 | 6 | 3.3 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccccc1F | 10.1021/jm400348g | |||
| CHEMBL2348197 | 179109 | 0 | None | 75 | 2 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 475 | 14 | 4 | 6 | 3.3 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccccc1F | 10.1021/jm400348g | |||
| 1786 | 5120 | 49 | None | 1 | 5 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/acs.jmedchem.5b00201 | |||
| 4171 | 5120 | 49 | None | 1 | 5 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/acs.jmedchem.5b00201 | |||
| 553 | 5120 | 49 | None | 1 | 5 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/acs.jmedchem.5b00201 | |||
| CHEMBL13 | 5120 | 49 | None | 1 | 5 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/acs.jmedchem.5b00201 | |||
| DB00264 | 5120 | 49 | None | 1 | 5 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/acs.jmedchem.5b00201 | |||
| 56599097 | 179108 | 0 | None | 87 | 2 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 487 | 15 | 4 | 7 | 3.2 | COc1ccc(NC(=O)NCCNCC(O)COc2ccc(OCCOC3CCCC3)cc2)cc1 | 10.1021/jm400348g | |||
| CHEMBL2348196 | 179108 | 0 | None | 87 | 2 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 487 | 15 | 4 | 7 | 3.2 | COc1ccc(NC(=O)NCCNCC(O)COc2ccc(OCCOC3CCCC3)cc2)cc1 | 10.1021/jm400348g | |||
| 15578610 | 221641 | 0 | None | 2 | 2 | Guinea pig | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 309 | 11 | 2 | 5 | 2.1 | CCOC(=O)CCCCNCC(O)COc1ccccc1C | 10.1021/jm00354a002 | |||
| CHEMBL32902 | 221641 | 0 | None | 2 | 2 | Guinea pig | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 309 | 11 | 2 | 5 | 2.1 | CCOC(=O)CCCCNCC(O)COc1ccccc1C | 10.1021/jm00354a002 | |||
| 13621720 | 198584 | 1 | None | 407 | 2 | Guinea pig | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 357 | 9 | 3 | 5 | 3.5 | CCCNCC(O)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00156a028 | |||
| CHEMBL274830 | 198584 | 1 | None | 407 | 2 | Guinea pig | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 357 | 9 | 3 | 5 | 3.5 | CCCNCC(O)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00156a028 | |||
| 2892936 | 196277 | 5 | None | -15 | 2 | Guinea pig | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 271 | 5 | 2 | 3 | 3.0 | CC1CC(OCC(O)CNC(C)(C)C)CC(C)(C)C1 | 10.1021/jm00376a011 | |||
| CHEMBL25929 | 196277 | 5 | None | -15 | 2 | Guinea pig | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 271 | 5 | 2 | 3 | 3.0 | CC1CC(OCC(O)CNC(C)(C)C)CC(C)(C)C1 | 10.1021/jm00376a011 | |||
| 12238214 | 59162 | 14 | None | 19 | 2 | Guinea pig | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 267 | 7 | 2 | 5 | 1.2 | COC(=O)c1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00354a003 | |||
| CHEMBL13504 | 59162 | 14 | None | 19 | 2 | Guinea pig | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 267 | 7 | 2 | 5 | 1.2 | COC(=O)c1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00354a003 | |||
| 13040900 | 216984 | 16 | None | None | None | Guinea pig | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 322 | 10 | 3 | 4 | 1.9 | CC(C)NCC(O)COc1ccc(CCC(=O)NC(C)C)cc1 | 10.1021/jm00354a003 | |||
| CHEMBL31768 | 216984 | 16 | None | None | None | Guinea pig | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 322 | 10 | 3 | 4 | 1.9 | CC(C)NCC(O)COc1ccc(CCC(=O)NC(C)C)cc1 | 10.1021/jm00354a003 | |||
| 2249 | 1058 | 67 | None | 3 | 3 | Guinea pig | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm00103a004 | |||
| 255 | 1058 | 67 | None | 3 | 3 | Guinea pig | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm00103a004 | |||
| 548 | 1058 | 67 | None | 3 | 3 | Guinea pig | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm00103a004 | |||
| CHEMBL24 | 1058 | 67 | None | 3 | 3 | Guinea pig | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm00103a004 | |||
| DB00335 | 1058 | 67 | None | 3 | 3 | Guinea pig | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm00103a004 | |||
| 62773144 | 219975 | 2 | None | 1 | 2 | Guinea pig | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 257 | 4 | 2 | 2 | 2.5 | CC(C)NCC(O)c1ccc(Br)cc1 | 10.1021/jm00208a015 | |||
| CHEMBL3246227 | 219975 | 2 | None | 1 | 2 | Guinea pig | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 257 | 4 | 2 | 2 | 2.5 | CC(C)NCC(O)c1ccc(Br)cc1 | 10.1021/jm00208a015 | |||
| 14201557 | 468573 | 0 | None | -1 | 2 | Guinea pig | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 235 | 4 | 1 | 3 | 1.9 | CN1CCCC[C@@H]1[C@H](O)COc1ccccc1 | 10.1021/jm00119a011 | |||
| CHEMBL66724 | 468573 | 0 | None | -1 | 2 | Guinea pig | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 235 | 4 | 1 | 3 | 1.9 | CN1CCCC[C@@H]1[C@H](O)COc1ccccc1 | 10.1021/jm00119a011 | |||
| 15578598 | 200400 | 1 | None | 7 | 2 | Guinea pig | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 297 | 10 | 2 | 6 | 1.0 | CCOC(=O)CCNCC(O)COc1ccc(OC)cc1 | 10.1021/jm00354a002 | |||
| CHEMBL288546 | 200400 | 1 | None | 7 | 2 | Guinea pig | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 297 | 10 | 2 | 6 | 1.0 | CCOC(=O)CCNCC(O)COc1ccc(OC)cc1 | 10.1021/jm00354a002 | |||
| 3025067 | 199589 | 36 | None | None | None | Human | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 220 | 1 | 1 | 4 | 0.9 | c1cc2c(c(N3CCNCC3)c1)OCCO2 | 10.1021/jm400140q | |||
| 65853 | 199589 | 36 | None | None | None | Human | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 220 | 1 | 1 | 4 | 0.9 | c1cc2c(c(N3CCNCC3)c1)OCCO2 | 10.1021/jm400140q | |||
| CHEMBL282614 | 199589 | 36 | None | None | None | Human | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 220 | 1 | 1 | 4 | 0.9 | c1cc2c(c(N3CCNCC3)c1)OCCO2 | 10.1021/jm400140q | |||
| DB12883 | 199589 | 36 | None | None | None | Human | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 220 | 1 | 1 | 4 | 0.9 | c1cc2c(c(N3CCNCC3)c1)OCCO2 | 10.1021/jm400140q | |||
| 13621774 | 198746 | 0 | None | 208 | 2 | Guinea pig | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 427 | 13 | 3 | 7 | 2.6 | COc1ccc(CCNCC(O)COc2ccc(OCc3ncc[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
| CHEMBL275934 | 198746 | 0 | None | 208 | 2 | Guinea pig | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 427 | 13 | 3 | 7 | 2.6 | COc1ccc(CCNCC(O)COc2ccc(OCc3ncc[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
| 56599231 | 179117 | 0 | None | 81 | 2 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 535 | 14 | 4 | 6 | 3.9 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccc(Br)cc1 | 10.1021/jm400348g | |||
| CHEMBL2348205 | 179117 | 0 | None | 81 | 2 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 535 | 14 | 4 | 6 | 3.9 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccc(Br)cc1 | 10.1021/jm400348g | |||
| 56599232 | 179119 | 0 | None | 81 | 2 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 525 | 14 | 4 | 6 | 4.2 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1cccc(C(F)(F)F)c1 | 10.1021/jm400348g | |||
| CHEMBL2348207 | 179119 | 0 | None | 81 | 2 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 525 | 14 | 4 | 6 | 4.2 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1cccc(C(F)(F)F)c1 | 10.1021/jm400348g | |||
| 13621653 | 155030 | 1 | None | 2238 | 2 | Guinea pig | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 441 | 13 | 3 | 7 | 2.8 | COCc1c[nH]c(-c2ccc(OC[C@@H](O)CNCCc3ccc(OC)c(OC)c3)cc2)n1 | 10.1021/jm00156a028 | |||
| CHEMBL2052004 | 155030 | 1 | None | 2238 | 2 | Guinea pig | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 441 | 13 | 3 | 7 | 2.8 | COCc1c[nH]c(-c2ccc(OC[C@@H](O)CNCCc3ccc(OC)c(OC)c3)cc2)n1 | 10.1021/jm00156a028 | |||
| 3025067 | 199589 | 36 | None | None | None | Human | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 220 | 1 | 1 | 4 | 0.9 | c1cc2c(c(N3CCNCC3)c1)OCCO2 | 10.1021/jm400140q | |||
| 65853 | 199589 | 36 | None | None | None | Human | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 220 | 1 | 1 | 4 | 0.9 | c1cc2c(c(N3CCNCC3)c1)OCCO2 | 10.1021/jm400140q | |||
| CHEMBL282614 | 199589 | 36 | None | None | None | Human | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 220 | 1 | 1 | 4 | 0.9 | c1cc2c(c(N3CCNCC3)c1)OCCO2 | 10.1021/jm400140q | |||
| DB12883 | 199589 | 36 | None | None | None | Human | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 220 | 1 | 1 | 4 | 0.9 | c1cc2c(c(N3CCNCC3)c1)OCCO2 | 10.1021/jm400140q | |||
| 54669764 | 137792 | 0 | None | -37 | 3 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 893 | 26 | 4 | 10 | 6.8 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCOCCOCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | |||
| CHEMBL1830491 | 137792 | 0 | None | -37 | 3 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 893 | 26 | 4 | 10 | 6.8 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCOCCOCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | |||
| 56599099 | 179126 | 0 | None | 91 | 2 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 471 | 14 | 4 | 6 | 3.5 | Cc1ccc(NC(=O)NCCNCC(O)COc2ccc(OCCOC3CCCC3)cc2)cc1 | 10.1021/jm400348g | |||
| CHEMBL2348214 | 179126 | 0 | None | 91 | 2 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 471 | 14 | 4 | 6 | 3.5 | Cc1ccc(NC(=O)NCCNCC(O)COc2ccc(OCCOC3CCCC3)cc2)cc1 | 10.1021/jm400348g | |||
| 71662247 | 179128 | 0 | None | 51 | 2 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 487 | 15 | 4 | 7 | 3.2 | COc1cccc(NC(=O)NCCNCC(O)COc2ccc(OCCOC3CCCC3)cc2)c1 | 10.1021/jm400348g | |||
| CHEMBL2348216 | 179128 | 0 | None | 51 | 2 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 487 | 15 | 4 | 7 | 3.2 | COc1cccc(NC(=O)NCCNCC(O)COc2ccc(OCCOC3CCCC3)cc2)c1 | 10.1021/jm400348g | |||
| 13621700 | 468089 | 0 | None | 3630 | 2 | Guinea pig | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 439 | 12 | 3 | 7 | 2.9 | COc1ccc(CCNC[C@H](O)COc2ccc(-c3nc(C(C)=O)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
| CHEMBL63421 | 468089 | 0 | None | 3630 | 2 | Guinea pig | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 439 | 12 | 3 | 7 | 2.9 | COc1ccc(CCNC[C@H](O)COc2ccc(-c3nc(C(C)=O)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
| 12398051 | 220064 | 0 | None | -43 | 2 | Guinea pig | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 245 | 2 | 2 | 2 | 2.8 | CC1(C)NC1C(O)c1ccc(Cl)c(Cl)c1 | 10.1021/jm00199a012 | |||
| CHEMBL3251299 | 220064 | 0 | None | -43 | 2 | Guinea pig | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 245 | 2 | 2 | 2 | 2.8 | CC1(C)NC1C(O)c1ccc(Cl)c(Cl)c1 | 10.1021/jm00199a012 | |||
| 13621671 | 334007 | 0 | None | 234 | 2 | Guinea pig | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 496 | 13 | 3 | 8 | 2.5 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(CN4CCOCC4)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
| CHEMBL442522 | 334007 | 0 | None | 234 | 2 | Guinea pig | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 496 | 13 | 3 | 8 | 2.5 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(CN4CCOCC4)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
| 44459891 | 196517 | 0 | None | -7 | 2 | Guinea pig | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 217 | 5 | 2 | 3 | 1.8 | CC(C)(C)COCC(O)CNC(C)(C)C | 10.1021/jm00376a011 | |||
| CHEMBL26059 | 196517 | 0 | None | -7 | 2 | Guinea pig | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 217 | 5 | 2 | 3 | 1.8 | CC(C)(C)COCC(O)CNC(C)(C)C | 10.1021/jm00376a011 | |||
| 5484725 | 135902 | 13 | None | -741 | 2 | Human | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OC[C@H](O)[C@H](C)NC(C)C)c2c1CCC2 | 10.1021/acsmedchemlett.6b00363 | |||
| CHEMBL198059 | 135902 | 13 | None | -741 | 2 | Human | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OC[C@H](O)[C@H](C)NC(C)C)c2c1CCC2 | 10.1021/acsmedchemlett.6b00363 | |||
| 90672832 | 220003 | 0 | None | 2 | 2 | Rat | 4.7 | pKd | = | 4.7 | Binding | ChEMBL | 294 | 6 | 3 | 5 | 0.5 | CC(C)NCC(O)COc1ccc2c(c1)OCCNC2=O | 10.1021/jm00207a025 | |||
| CHEMBL3247304 | 220003 | 0 | None | 2 | 2 | Rat | 4.7 | pKd | = | 4.7 | Binding | ChEMBL | 294 | 6 | 3 | 5 | 0.5 | CC(C)NCC(O)COc1ccc2c(c1)OCCNC2=O | 10.1021/jm00207a025 | |||
| 54756928 | 137788 | 0 | None | -57 | 3 | Human | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 889 | 26 | 4 | 8 | 9.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCCCCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | |||
| CHEMBL1830487 | 137788 | 0 | None | -57 | 3 | Human | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 889 | 26 | 4 | 8 | 9.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCCCCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | |||
| 13157407 | 123057 | 0 | None | 245 | 2 | Guinea pig | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 419 | 10 | 3 | 5 | 4.4 | OC(CNCCc1ccccc1)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00361a004 | |||
| CHEMBL174259 | 123057 | 0 | None | 245 | 2 | Guinea pig | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 419 | 10 | 3 | 5 | 4.4 | OC(CNCCc1ccccc1)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00361a004 | |||
| 13621761 | 23672 | 0 | None | 10 | 2 | Guinea pig | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 385 | 8 | 3 | 5 | 3.9 | CC(C)(C)NCC(O)COc1ccc(Cc2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00156a028 | |||
| CHEMBL11135 | 23672 | 0 | None | 10 | 2 | Guinea pig | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 385 | 8 | 3 | 5 | 3.9 | CC(C)(C)NCC(O)COc1ccc(Cc2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00156a028 | |||
| 2769826 | 468801 | 37 | None | -1 | 2 | Guinea pig | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | CC(C)NCC(O)COc1ccc2ccccc2c1 | 10.1021/jm00119a011 | |||
| CHEMBL68419 | 468801 | 37 | None | -1 | 2 | Guinea pig | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | CC(C)NCC(O)COc1ccc2ccccc2c1 | 10.1021/jm00119a011 | |||
| 56599102 | 179111 | 0 | None | 60 | 2 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 475 | 14 | 4 | 6 | 3.3 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccc(F)cc1 | 10.1021/jm400348g | |||
| CHEMBL2348199 | 179111 | 0 | None | 60 | 2 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 475 | 14 | 4 | 6 | 3.3 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccc(F)cc1 | 10.1021/jm400348g | |||
| 56599233 | 179120 | 0 | None | 87 | 2 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 525 | 14 | 4 | 6 | 4.2 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccc(C(F)(F)F)cc1 | 10.1021/jm400348g | |||
| CHEMBL2348208 | 179120 | 0 | None | 87 | 2 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 525 | 14 | 4 | 6 | 4.2 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccc(C(F)(F)F)cc1 | 10.1021/jm400348g | |||
| 13621712 | 155032 | 0 | None | 1288 | 2 | Guinea pig | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 453 | 11 | 3 | 6 | 4.0 | COc1ccc(CCNC[C@H](O)COc2ccc(-c3nc(C(C)(C)C)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
| CHEMBL2052006 | 155032 | 0 | None | 1288 | 2 | Guinea pig | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 453 | 11 | 3 | 6 | 4.0 | COc1ccc(CCNC[C@H](O)COc2ccc(-c3nc(C(C)(C)C)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
| 54757027 | 137791 | 0 | None | -53 | 3 | Human | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 889 | 26 | 4 | 8 | 9.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCCCCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | |||
| CHEMBL1830490 | 137791 | 0 | None | -53 | 3 | Human | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 889 | 26 | 4 | 8 | 9.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCCCCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | |||
| 157736 | 199201 | 5 | None | 31 | 2 | Guinea pig | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 309 | 10 | 2 | 5 | 1.9 | CCOC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00354a003 | |||
| CHEMBL279777 | 199201 | 5 | None | 31 | 2 | Guinea pig | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 309 | 10 | 2 | 5 | 1.9 | CCOC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00354a003 | |||
| 90672835 | 220005 | 0 | None | -10 | 2 | Rat | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 279 | 8 | 2 | 4 | 2.5 | C/C=C\c1ccc(OCC(O)CNC(C)C)c(OC)c1 | 10.1021/jm00207a025 | |||
| CHEMBL3247309 | 220005 | 0 | None | -10 | 2 | Rat | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 279 | 8 | 2 | 4 | 2.5 | C/C=C\c1ccc(OCC(O)CNC(C)C)c(OC)c1 | 10.1021/jm00207a025 | |||
| 15578594 | 216712 | 1 | None | 1 | 2 | Guinea pig | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 281 | 9 | 2 | 5 | 1.3 | CCOC(=O)CCNCC(O)COc1cccc(C)c1 | 10.1021/jm00354a002 | |||
| CHEMBL31568 | 216712 | 1 | None | 1 | 2 | Guinea pig | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 281 | 9 | 2 | 5 | 1.3 | CCOC(=O)CCNCC(O)COc1cccc(C)c1 | 10.1021/jm00354a002 | |||
| 15569840 | 328284 | 0 | None | None | None | Guinea pig | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 329 | 8 | 2 | 5 | 2.3 | COC(=O)c1ccc(CNCC(O)COc2ccccc2C)cc1 | 10.1021/jm00354a002 | |||
| CHEMBL418770 | 328284 | 0 | None | None | None | Guinea pig | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 329 | 8 | 2 | 5 | 2.3 | COC(=O)c1ccc(CNCC(O)COc2ccccc2C)cc1 | 10.1021/jm00354a002 | |||
| 15578618 | 202869 | 0 | None | None | None | Guinea pig | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 321 | 9 | 2 | 5 | 1.5 | O=C(CCNCC(O)COc1ccccc1)OCC(F)(F)F | 10.1021/jm00354a002 | |||
| CHEMBL30538 | 202869 | 0 | None | None | None | Guinea pig | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 321 | 9 | 2 | 5 | 1.5 | O=C(CCNCC(O)COc1ccccc1)OCC(F)(F)F | 10.1021/jm00354a002 | |||
| 15578555 | 216024 | 2 | None | 1 | 2 | Guinea pig | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 253 | 8 | 2 | 5 | 0.6 | CCOC(=O)CNCC(O)COc1ccccc1 | 10.1021/jm00354a002 | |||
| CHEMBL31392 | 216024 | 2 | None | 1 | 2 | Guinea pig | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 253 | 8 | 2 | 5 | 0.6 | CCOC(=O)CNCC(O)COc1ccccc1 | 10.1021/jm00354a002 | |||
| 15578616 | 214311 | 0 | None | None | None | Guinea pig | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 333 | 9 | 2 | 5 | 2.2 | O=C(CCNCC(O)COc1ccccc1)Oc1ccc(F)cc1 | 10.1021/jm00354a002 | |||
| CHEMBL31047 | 214311 | 0 | None | None | None | Guinea pig | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 333 | 9 | 2 | 5 | 2.2 | O=C(CCNCC(O)COc1ccccc1)Oc1ccc(F)cc1 | 10.1021/jm00354a002 | |||
| 133620 | 469860 | 21 | None | None | None | Guinea pig | 4.7 | pKd | = | 4.7 | Binding | ChEMBL | 281 | 9 | 3 | 4 | 1.4 | CC(C)NCC(O)COc1ccc(CCC(=O)O)cc1 | 10.1021/jm00354a003 | |||
| CHEMBL767 | 469860 | 21 | None | None | None | Guinea pig | 4.7 | pKd | = | 4.7 | Binding | ChEMBL | 281 | 9 | 3 | 4 | 1.4 | CC(C)NCC(O)COc1ccc(CCC(=O)O)cc1 | 10.1021/jm00354a003 | |||
| 13621680 | 317620 | 1 | None | 446 | 2 | Guinea pig | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 431 | 11 | 3 | 6 | 3.3 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(Cl)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
| CHEMBL416150 | 317620 | 1 | None | 446 | 2 | Guinea pig | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 431 | 11 | 3 | 6 | 3.3 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(Cl)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
| 2303 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00376a011 | |||
| 4946 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00376a011 | |||
| 564 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00376a011 | |||
| 63 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00376a011 | |||
| 91536 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00376a011 | |||
| CHEMBL27 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00376a011 | |||
| CHEMBL452861 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00376a011 | |||
| DB00571 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00376a011 | |||
| 2303 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00145a008 | |||
| 4946 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00145a008 | |||
| 564 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00145a008 | |||
| 63 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00145a008 | |||
| 91536 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00145a008 | |||
| CHEMBL27 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00145a008 | |||
| CHEMBL452861 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00145a008 | |||
| DB00571 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00145a008 | |||
| 9904228 | 199501 | 2 | None | -1 | 2 | Guinea pig | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccccc1OCC(O)CNC(C)C | 10.1021/jm00354a003 | |||
| CHEMBL281967 | 199501 | 2 | None | -1 | 2 | Guinea pig | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccccc1OCC(O)CNC(C)C | 10.1021/jm00354a003 | |||
| 2303 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00119a011 | |||
| 4946 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00119a011 | |||
| 564 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00119a011 | |||
| 63 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00119a011 | |||
| 91536 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00119a011 | |||
| CHEMBL27 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00119a011 | |||
| CHEMBL452861 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00119a011 | |||
| DB00571 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00119a011 | |||
| 44279657 | 214094 | 1 | None | 2 | 2 | Guinea pig | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 237 | 7 | 2 | 3 | 2.0 | Cc1ccccc1OCC(O)CNCC(C)C | 10.1021/jm00354a002 | |||
| CHEMBL31021 | 214094 | 1 | None | 2 | 2 | Guinea pig | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 237 | 7 | 2 | 3 | 2.0 | Cc1ccccc1OCC(O)CNCC(C)C | 10.1021/jm00354a002 | |||
| 2176 | 6361 | 47 | None | -4 | 4 | Human | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 10.1021/jm2008562 | |||
| 4828 | 6361 | 47 | None | -4 | 4 | Human | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 10.1021/jm2008562 | |||
| 91 | 6361 | 47 | None | -4 | 4 | Human | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 10.1021/jm2008562 | |||
| CHEMBL500 | 6361 | 47 | None | -4 | 4 | Human | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 10.1021/jm2008562 | |||
| DB00960 | 6361 | 47 | None | -4 | 4 | Human | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 10.1021/jm2008562 | |||
| 13621767 | 23634 | 0 | None | None | None | Guinea pig | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 503 | 13 | 3 | 6 | 3.5 | COc1ccc(CCNCC(O)COc2ccc(CCc3nc(Br)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
| CHEMBL11112 | 23634 | 0 | None | None | None | Guinea pig | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 503 | 13 | 3 | 6 | 3.5 | COc1ccc(CCNCC(O)COc2ccc(CCc3nc(Br)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
| 13621749 | 23800 | 0 | None | None | None | Guinea pig | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 493 | 13 | 3 | 7 | 4.3 | COc1ccc(CCNCC(O)COc2ccc(Cc3nc(-c4cccs4)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
| CHEMBL11205 | 23800 | 0 | None | None | None | Guinea pig | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 493 | 13 | 3 | 7 | 4.3 | COc1ccc(CCNCC(O)COc2ccc(Cc3nc(-c4cccs4)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
| 2369 | 1284 | 48 | None | -3 | 5 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/acs.jmedchem.6b00472 | |||
| 356 | 1284 | 48 | None | -3 | 5 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/acs.jmedchem.6b00472 | |||
| 549 | 1284 | 48 | None | -3 | 5 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/acs.jmedchem.6b00472 | |||
| CHEMBL423 | 1284 | 48 | None | -3 | 5 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/acs.jmedchem.6b00472 | |||
| DB00195 | 1284 | 48 | None | -3 | 5 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/acs.jmedchem.6b00472 | |||
| 13157374 | 155092 | 0 | None | 1412 | 2 | Guinea pig | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 397 | 11 | 3 | 6 | 2.7 | COc1ccc(CCNC[C@H](O)COc2ccc(-c3ncc[nH]3)cc2)cc1OC | 10.1021/jm00361a004 | |||
| CHEMBL2096751 | 155092 | 0 | None | 1412 | 2 | Guinea pig | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 397 | 11 | 3 | 6 | 2.7 | COc1ccc(CCNC[C@H](O)COc2ccc(-c3ncc[nH]3)cc2)cc1OC | 10.1021/jm00361a004 | |||
| 13621752 | 197661 | 0 | None | 144 | 2 | Guinea pig | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 425 | 12 | 3 | 6 | 2.9 | COc1ccc(CCNCC(O)COc2ccc(Cc3nc(C)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
| CHEMBL269467 | 197661 | 0 | None | 144 | 2 | Guinea pig | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 425 | 12 | 3 | 6 | 2.9 | COc1ccc(CCNCC(O)COc2ccc(Cc3nc(C)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
| 3486 | 6418 | 47 | None | -6 | 6 | Guinea pig | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00208a015 | |||
| 4883 | 6418 | 47 | None | -6 | 6 | Guinea pig | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00208a015 | |||
| 555 | 6418 | 47 | None | -6 | 6 | Guinea pig | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00208a015 | |||
| CHEMBL6995 | 6418 | 47 | None | -6 | 6 | Guinea pig | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00208a015 | |||
| DB01297 | 6418 | 47 | None | -6 | 6 | Guinea pig | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00208a015 | |||
| 54757232 | 137816 | 0 | None | -30 | 3 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 883 | 28 | 4 | 10 | 6.3 | C=CCc1ccccc1OC[C@@H](O)CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | |||
| CHEMBL1830618 | 137816 | 0 | None | -30 | 3 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 883 | 28 | 4 | 10 | 6.3 | C=CCc1ccccc1OC[C@@H](O)CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | |||
| 13621710 | 23604 | 0 | None | 478 | 2 | Guinea pig | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 453 | 11 | 3 | 6 | 4.0 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(C(C)(C)C)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
| CHEMBL11097 | 23604 | 0 | None | 478 | 2 | Guinea pig | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 453 | 11 | 3 | 6 | 4.0 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(C(C)(C)C)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
| 1786 | 5120 | 49 | None | -1 | 5 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/acs.jmedchem.6b00472 | |||
| 4171 | 5120 | 49 | None | -1 | 5 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/acs.jmedchem.6b00472 | |||
| 553 | 5120 | 49 | None | -1 | 5 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/acs.jmedchem.6b00472 | |||
| CHEMBL13 | 5120 | 49 | None | -1 | 5 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/acs.jmedchem.6b00472 | |||
| DB00264 | 5120 | 49 | None | -1 | 5 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/acs.jmedchem.6b00472 | |||
| 2030 | 7460 | 11 | None | -316 | 10 | Human | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 464 | 4 | 0 | 6 | 3.0 | COc1cccc2c1C[C@H]1C[C@H](CN([C@@H]1C2)C)C(=O)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-] | 10.1016/j.bmcl.2007.04.086 | |||
| 5311377 | 7460 | 11 | None | -316 | 10 | Human | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 464 | 4 | 0 | 6 | 3.0 | COc1cccc2c1C[C@H]1C[C@H](CN([C@@H]1C2)C)C(=O)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-] | 10.1016/j.bmcl.2007.04.086 | |||
| CHEMBL251541 | 7460 | 11 | None | -316 | 10 | Human | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 464 | 4 | 0 | 6 | 3.0 | COc1cccc2c1C[C@H]1C[C@H](CN([C@@H]1C2)C)C(=O)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-] | 10.1016/j.bmcl.2007.04.086 | |||
| 6917762 | 23629 | 5 | None | -1 | 2 | Guinea pig | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 228 | 6 | 2 | 4 | 1.5 | C/C(=N\OCC(O)CNC(C)(C)C)C1CC1 | 10.1021/jm00145a008 | |||
| CHEMBL111103 | 23629 | 5 | None | -1 | 2 | Guinea pig | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 228 | 6 | 2 | 4 | 1.5 | C/C(=N\OCC(O)CNC(C)(C)C)C1CC1 | 10.1021/jm00145a008 | |||
| 13621722 | 197631 | 2 | None | 229 | 2 | Guinea pig | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 275 | 7 | 3 | 4 | 1.8 | CC(C)NCC(O)COc1ccc(-c2ncc[nH]2)cc1 | 10.1021/jm00156a028 | |||
| CHEMBL269219 | 197631 | 2 | None | 229 | 2 | Guinea pig | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 275 | 7 | 3 | 4 | 1.8 | CC(C)NCC(O)COc1ccc(-c2ncc[nH]2)cc1 | 10.1021/jm00156a028 | |||
| 2249 | 1058 | 67 | None | 3 | 3 | Guinea pig | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm00361a004 | |||
| 255 | 1058 | 67 | None | 3 | 3 | Guinea pig | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm00361a004 | |||
| 548 | 1058 | 67 | None | 3 | 3 | Guinea pig | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm00361a004 | |||
| CHEMBL24 | 1058 | 67 | None | 3 | 3 | Guinea pig | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm00361a004 | |||
| DB00335 | 1058 | 67 | None | 3 | 3 | Guinea pig | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm00361a004 | |||
| 13157412 | 123018 | 0 | None | None | None | Guinea pig | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 411 | 11 | 3 | 6 | 3.0 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(C)c[nH]3)cc2)cc1OC | 10.1021/jm00361a004 | |||
| CHEMBL174106 | 123018 | 0 | None | None | None | Guinea pig | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 411 | 11 | 3 | 6 | 3.0 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(C)c[nH]3)cc2)cc1OC | 10.1021/jm00361a004 | |||
| 2249 | 1058 | 67 | None | 3 | 3 | Guinea pig | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm00156a028 | |||
| 255 | 1058 | 67 | None | 3 | 3 | Guinea pig | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm00156a028 | |||
| 548 | 1058 | 67 | None | 3 | 3 | Guinea pig | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm00156a028 | |||
| CHEMBL24 | 1058 | 67 | None | 3 | 3 | Guinea pig | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm00156a028 | |||
| DB00335 | 1058 | 67 | None | 3 | 3 | Guinea pig | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm00156a028 | |||
| 3682 | 365954 | 13 | None | -316 | 4 | Human | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | 10.1021/jm400348g | |||
| CHEMBL513389 | 365954 | 13 | None | -316 | 4 | Human | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | 10.1021/jm400348g | |||
| 13621638 | 24167 | 0 | None | 2137 | 2 | Guinea pig | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 455 | 13 | 3 | 7 | 3.1 | COCc1[nH]c(-c2ccc(OCC(O)CNCCc3ccc(OC)c(OC)c3)cc2)nc1C | 10.1021/jm00156a028 | |||
| CHEMBL11414 | 24167 | 0 | None | 2137 | 2 | Guinea pig | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 455 | 13 | 3 | 7 | 3.1 | COCc1[nH]c(-c2ccc(OCC(O)CNCCc3ccc(OC)c(OC)c3)cc2)nc1C | 10.1021/jm00156a028 | |||
| 13621722 | 197631 | 2 | None | 229 | 2 | Guinea pig | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 275 | 7 | 3 | 4 | 1.8 | CC(C)NCC(O)COc1ccc(-c2ncc[nH]2)cc1 | 10.1021/jm00103a004 | |||
| CHEMBL269219 | 197631 | 2 | None | 229 | 2 | Guinea pig | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 275 | 7 | 3 | 4 | 1.8 | CC(C)NCC(O)COc1ccc(-c2ncc[nH]2)cc1 | 10.1021/jm00103a004 | |||
| 2834366 | 222137 | 5 | None | 6 | 2 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 251 | 8 | 2 | 3 | 2.4 | CCCc1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00207a025 | |||
| CHEMBL3303501 | 222137 | 5 | None | 6 | 2 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 251 | 8 | 2 | 3 | 2.4 | CCCc1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00207a025 | |||
| 3486 | 6418 | 47 | None | -6 | 6 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00354a003 | |||
| 4883 | 6418 | 47 | None | -6 | 6 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00354a003 | |||
| 555 | 6418 | 47 | None | -6 | 6 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00354a003 | |||
| CHEMBL6995 | 6418 | 47 | None | -6 | 6 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00354a003 | |||
| DB01297 | 6418 | 47 | None | -6 | 6 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00354a003 | |||
| 13040894 | 200208 | 0 | None | 12 | 2 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 309 | 10 | 2 | 5 | 1.9 | COC(=O)CCCc1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00354a003 | |||
| CHEMBL286894 | 200208 | 0 | None | 12 | 2 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 309 | 10 | 2 | 5 | 1.9 | COC(=O)CCCc1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00354a003 | |||
| 13040915 | 202982 | 0 | None | 50 | 2 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 325 | 10 | 2 | 7 | 0.8 | CCOC(=O)CCNCC(O)COc1ccccc1C(=O)OC | 10.1021/jm00354a003 | |||
| CHEMBL30622 | 202982 | 0 | None | 50 | 2 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 325 | 10 | 2 | 7 | 0.8 | CCOC(=O)CCNCC(O)COc1ccccc1C(=O)OC | 10.1021/jm00354a003 | |||
| 12797747 | 468544 | 2 | None | -2 | 2 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 251 | 9 | 2 | 3 | 2.0 | CC(C)NCC(O)COCCCc1ccccc1 | 10.1021/jm00119a011 | |||
| CHEMBL66449 | 468544 | 2 | None | -2 | 2 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 251 | 9 | 2 | 3 | 2.0 | CC(C)NCC(O)COCCCc1ccccc1 | 10.1021/jm00119a011 | |||
| 15578575 | 199911 | 1 | None | 3 | 2 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 281 | 10 | 2 | 5 | 1.4 | CCOC(=O)CCCNCC(O)COc1ccccc1 | 10.1021/jm00354a002 | |||
| CHEMBL284808 | 199911 | 1 | None | 3 | 2 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 281 | 10 | 2 | 5 | 1.4 | CCOC(=O)CCCNCC(O)COc1ccccc1 | 10.1021/jm00354a002 | |||
| 15578620 | 216740 | 0 | None | None | None | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 343 | 9 | 2 | 5 | 2.7 | CCOC(=O)c1ccc(CNCC(O)COc2ccccc2C)cc1 | 10.1021/jm00354a002 | |||
| CHEMBL31591 | 216740 | 0 | None | None | None | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 343 | 9 | 2 | 5 | 2.7 | CCOC(=O)c1ccc(CNCC(O)COc2ccccc2C)cc1 | 10.1021/jm00354a002 | |||
| 44279341 | 200275 | 0 | None | None | None | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 403 | 13 | 2 | 7 | 2.2 | COc1ccc(CCOC(=O)CCNCC(O)COc2ccccc2)cc1OC | 10.1021/jm00354a002 | |||
| CHEMBL287452 | 200275 | 0 | None | None | None | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 403 | 13 | 2 | 7 | 2.2 | COc1ccc(CCOC(=O)CCNCC(O)COc2ccccc2)cc1OC | 10.1021/jm00354a002 | |||
| 12462226 | 222117 | 0 | None | -1 | 2 | Guinea pig | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 223 | 5 | 2 | 3 | 2.0 | COc1ccc(C)cc1C(O)CNC(C)C | 10.1021/jm00208a015 | |||
| CHEMBL3302805 | 222117 | 0 | None | -1 | 2 | Guinea pig | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 223 | 5 | 2 | 3 | 2.0 | COc1ccc(C)cc1C(O)CNC(C)C | 10.1021/jm00208a015 | |||
| 14348818 | 219332 | 0 | None | -5 | 3 | Guinea pig | 4.6 | pKd | = | 4.6 | Binding | ChEMBL | 415 | 7 | 4 | 7 | 2.9 | C/C(=N\OCC(O)CNC(C)(C)C)c1cc(Cl)c(NC2=NCCN2)c(Cl)c1 | 10.1021/jm00115a008 | |||
| CHEMBL323176 | 219332 | 0 | None | -5 | 3 | Guinea pig | 4.6 | pKd | = | 4.6 | Binding | ChEMBL | 415 | 7 | 4 | 7 | 2.9 | C/C(=N\OCC(O)CNC(C)(C)C)c1cc(Cl)c(NC2=NCCN2)c(Cl)c1 | 10.1021/jm00115a008 | |||
| 2303 | 6476 | 48 | None | -6 | 8 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00199a012 | |||
| 4946 | 6476 | 48 | None | -6 | 8 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00199a012 | |||
| 564 | 6476 | 48 | None | -6 | 8 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00199a012 | |||
| 63 | 6476 | 48 | None | -6 | 8 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00199a012 | |||
| 91536 | 6476 | 48 | None | -6 | 8 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00199a012 | |||
| CHEMBL27 | 6476 | 48 | None | -6 | 8 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00199a012 | |||
| CHEMBL452861 | 6476 | 48 | None | -6 | 8 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00199a012 | |||
| DB00571 | 6476 | 48 | None | -6 | 8 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00199a012 | |||
| 29057685 | 314696 | 11 | None | -1 | 2 | Human | 4.6 | pKd | = | 4.6 | Binding | ChEMBL | 394 | 4 | 1 | 6 | 3.1 | COc1cccc(/C=C2\Oc3c(CN4CCN(C)CC4)c(O)cc(C)c3C2=O)c1 | 10.1021/acsmedchemlett.6b00363 | |||
| 8056725 | 314696 | 11 | None | -1 | 2 | Human | 4.6 | pKd | = | 4.6 | Binding | ChEMBL | 394 | 4 | 1 | 6 | 3.1 | COc1cccc(/C=C2\Oc3c(CN4CCN(C)CC4)c(O)cc(C)c3C2=O)c1 | 10.1021/acsmedchemlett.6b00363 | |||
| CHEMBL4094678 | 314696 | 11 | None | -1 | 2 | Human | 4.6 | pKd | = | 4.6 | Binding | ChEMBL | 394 | 4 | 1 | 6 | 3.1 | COc1cccc(/C=C2\Oc3c(CN4CCN(C)CC4)c(O)cc(C)c3C2=O)c1 | 10.1021/acsmedchemlett.6b00363 | |||
| 44383465 | 232250 | 2 | None | -2 | 2 | Guinea pig | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 228 | 6 | 2 | 4 | 1.5 | C/C(=N\OC[C@@H](O)CNC(C)(C)C)C1CC1 | 10.1021/jm00145a008 | |||
| CHEMBL355100 | 232250 | 2 | None | -2 | 2 | Guinea pig | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 228 | 6 | 2 | 4 | 1.5 | C/C(=N\OC[C@@H](O)CNC(C)(C)C)C1CC1 | 10.1021/jm00145a008 | |||
| 21595423 | 461717 | 0 | None | -10 | 2 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 263 | 7 | 2 | 3 | 2.1 | O[C@H](COCCCc1ccccc1)[C@@H]1CCCCN1 | 10.1021/jm00119a011 | |||
| CHEMBL66324 | 461717 | 0 | None | -10 | 2 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 263 | 7 | 2 | 3 | 2.1 | O[C@H](COCCCc1ccccc1)[C@@H]1CCCCN1 | 10.1021/jm00119a011 | |||
| 2297435 | 118428 | 4 | None | -10 | 2 | Human | 4.6 | pKd | = | 4.6 | Binding | ChEMBL | 253 | 7 | 1 | 2 | 3.5 | C=CCNCCOc1ccccc1-c1ccccc1 | 10.1021/acsmedchemlett.6b00363 | |||
| CHEMBL1621144 | 118428 | 4 | None | -10 | 2 | Human | 4.6 | pKd | = | 4.6 | Binding | ChEMBL | 253 | 7 | 1 | 2 | 3.5 | C=CCNCCOc1ccccc1-c1ccccc1 | 10.1021/acsmedchemlett.6b00363 | |||
| 13157386 | 116578 | 3 | None | 138 | 2 | Guinea pig | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 479 | 12 | 3 | 7 | 4.4 | COc1ccc(CCNC[C@H](O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
| CHEMBL1789879 | 116578 | 3 | None | 138 | 2 | Guinea pig | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 479 | 12 | 3 | 7 | 4.4 | COc1ccc(CCNC[C@H](O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
| 13621764 | 317520 | 0 | None | 1288 | 2 | Guinea pig | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 507 | 14 | 3 | 7 | 4.5 | COc1ccc(CCNCC(O)COc2ccc(CCc3nc(-c4cccs4)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
| CHEMBL415970 | 317520 | 0 | None | 1288 | 2 | Guinea pig | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 507 | 14 | 3 | 7 | 4.5 | COc1ccc(CCNCC(O)COc2ccc(CCc3nc(-c4cccs4)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
| 13040881 | 199395 | 0 | None | -1 | 2 | Guinea pig | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 295 | 7 | 2 | 5 | 2.0 | CCOC(=O)c1ccccc1OCC(O)CNC(C)(C)C | 10.1021/jm00354a003 | |||
| CHEMBL281294 | 199395 | 0 | None | -1 | 2 | Guinea pig | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 295 | 7 | 2 | 5 | 2.0 | CCOC(=O)c1ccccc1OCC(O)CNC(C)(C)C | 10.1021/jm00354a003 | |||
| 56598832 | 179130 | 0 | None | 588 | 3 | Human | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 527 | 16 | 5 | 7 | 3.3 | O=C(NCCNCC(O)COc1ccc(OCCOCCc2ccc(F)cc2)cc1)Nc1ccc(O)cc1 | 10.1021/jm400348g | |||
| CHEMBL2348218 | 179130 | 0 | None | 588 | 3 | Human | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 527 | 16 | 5 | 7 | 3.3 | O=C(NCCNCC(O)COc1ccc(OCCOCCc2ccc(F)cc2)cc1)Nc1ccc(O)cc1 | 10.1021/jm400348g | |||
| 15578565 | 216654 | 0 | None | 2 | 2 | Guinea pig | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 309 | 9 | 2 | 5 | 2.1 | CCOC(=O)CC(C)(C)NCC(O)COc1ccccc1C | 10.1021/jm00354a002 | |||
| CHEMBL31529 | 216654 | 0 | None | 2 | 2 | Guinea pig | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 309 | 9 | 2 | 5 | 2.1 | CCOC(=O)CC(C)(C)NCC(O)COc1ccccc1C | 10.1021/jm00354a002 | |||
| 13621770 | 23654 | 0 | None | 7 | 2 | Guinea pig | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 367 | 8 | 3 | 4 | 2.5 | CC(C)NCC(O)COc1ccc(Cc2nc(Br)c[nH]2)cc1 | 10.1021/jm00156a028 | |||
| CHEMBL11125 | 23654 | 0 | None | 7 | 2 | Guinea pig | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 367 | 8 | 3 | 4 | 2.5 | CC(C)NCC(O)COc1ccc(Cc2nc(Br)c[nH]2)cc1 | 10.1021/jm00156a028 | |||
| 13621602 | 24132 | 0 | None | 1096 | 2 | Guinea pig | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 493 | 12 | 3 | 7 | 4.7 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cc2C)cc1OC | 10.1021/jm00156a028 | |||
| CHEMBL11396 | 24132 | 0 | None | 1096 | 2 | Guinea pig | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 493 | 12 | 3 | 7 | 4.7 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cc2C)cc1OC | 10.1021/jm00156a028 | |||
| 2840793 | 468629 | 27 | None | 1 | 2 | Guinea pig | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 223 | 6 | 2 | 3 | 1.7 | Cc1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00119a011 | |||
| CHEMBL67151 | 468629 | 27 | None | 1 | 2 | Guinea pig | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 223 | 6 | 2 | 3 | 1.7 | Cc1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00119a011 | |||
| 12484297 | 219277 | 0 | None | -15 | 2 | Guinea pig | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 249 | 6 | 3 | 4 | 1.3 | CC(C)NCC(O)COc1cccc2[nH]cnc12 | 10.1021/jm00188a019 | |||
| CHEMBL3228931 | 219277 | 0 | None | -15 | 2 | Guinea pig | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 249 | 6 | 3 | 4 | 1.3 | CC(C)NCC(O)COc1cccc2[nH]cnc12 | 10.1021/jm00188a019 | |||
| 13621690 | 24188 | 0 | None | 1318 | 2 | Guinea pig | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 440 | 12 | 4 | 7 | 1.8 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(C(N)=O)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
| CHEMBL11427 | 24188 | 0 | None | 1318 | 2 | Guinea pig | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 440 | 12 | 4 | 7 | 1.8 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(C(N)=O)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
| 13621631 | 23995 | 0 | None | 169 | 2 | Guinea pig | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 489 | 11 | 3 | 6 | 3.7 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(Br)c(C)[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
| CHEMBL11307 | 23995 | 0 | None | 169 | 2 | Guinea pig | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 489 | 11 | 3 | 6 | 3.7 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(Br)c(C)[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
| 12606706 | 184036 | 0 | None | -13 | 2 | Guinea pig | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 202 | 5 | 2 | 4 | 1.1 | CC(C)=NOCC(O)CNC(C)(C)C | 10.1021/jm00376a011 | |||
| CHEMBL24480 | 184036 | 0 | None | -13 | 2 | Guinea pig | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 202 | 5 | 2 | 4 | 1.1 | CC(C)=NOCC(O)CNC(C)(C)C | 10.1021/jm00376a011 | |||
| 3869259 | 313353 | 1 | None | -3 | 2 | Human | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 419 | 4 | 0 | 5 | 5.5 | CCOC(=O)c1cc(/C=C/c2sc3ccccc3[n+]2C)c2sc3ccccc3n12 | 10.1021/acsmedchemlett.6b00363 | |||
| 45052940 | 313353 | 1 | None | -3 | 2 | Human | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 419 | 4 | 0 | 5 | 5.5 | CCOC(=O)c1cc(/C=C/c2sc3ccccc3[n+]2C)c2sc3ccccc3n12 | 10.1021/acsmedchemlett.6b00363 | |||
| 5942882 | 313353 | 1 | None | -3 | 2 | Human | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 419 | 4 | 0 | 5 | 5.5 | CCOC(=O)c1cc(/C=C/c2sc3ccccc3[n+]2C)c2sc3ccccc3n12 | 10.1021/acsmedchemlett.6b00363 | |||
| CHEMBL4079127 | 313353 | 1 | None | -3 | 2 | Human | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 419 | 4 | 0 | 5 | 5.5 | CCOC(=O)c1cc(/C=C/c2sc3ccccc3[n+]2C)c2sc3ccccc3n12 | 10.1021/acsmedchemlett.6b00363 | |||
| 21296271 | 197259 | 3 | None | -1 | 2 | Guinea pig | 4.5 | pKd | = | 4.5 | Binding | ChEMBL | 241 | 7 | 2 | 3 | 1.9 | CC(C)(C)NCC(O)COC(C1CC1)C1CC1 | 10.1021/jm00376a011 | |||
| CHEMBL26607 | 197259 | 3 | None | -1 | 2 | Guinea pig | 4.5 | pKd | = | 4.5 | Binding | ChEMBL | 241 | 7 | 2 | 3 | 1.9 | CC(C)(C)NCC(O)COC(C1CC1)C1CC1 | 10.1021/jm00376a011 | |||
| 54757331 | 137817 | 0 | None | -39 | 3 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 883 | 28 | 4 | 10 | 6.3 | C=CCc1ccccc1OCC(O)CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | |||
| CHEMBL1830619 | 137817 | 0 | None | -39 | 3 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 883 | 28 | 4 | 10 | 6.3 | C=CCc1ccccc1OCC(O)CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | |||
| 15578592 | 199701 | 1 | None | 1 | 2 | Guinea pig | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 281 | 9 | 2 | 5 | 1.3 | CCOC(=O)CCNCC(O)COc1ccccc1C | 10.1021/jm00354a002 | |||
| CHEMBL283289 | 199701 | 1 | None | 1 | 2 | Guinea pig | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 281 | 9 | 2 | 5 | 1.3 | CCOC(=O)CCNCC(O)COc1ccccc1C | 10.1021/jm00354a002 | |||
| 15578606 | 217590 | 1 | None | 3 | 2 | Guinea pig | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 267 | 8 | 2 | 5 | 0.9 | COC(=O)CCNCC(O)COc1ccccc1C | 10.1021/jm00354a002 | |||
| CHEMBL31938 | 217590 | 1 | None | 3 | 2 | Guinea pig | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 267 | 8 | 2 | 5 | 0.9 | COC(=O)CCNCC(O)COc1ccccc1C | 10.1021/jm00354a002 | |||
| 559935 | 213519 | 5 | None | 12 | 2 | Guinea pig | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 281 | 6 | 2 | 5 | 1.6 | COC(=O)c1ccc(OCC(O)CNC(C)(C)C)cc1 | 10.1021/jm00354a003 | |||
| CHEMBL30899 | 213519 | 5 | None | 12 | 2 | Guinea pig | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 281 | 6 | 2 | 5 | 1.6 | COC(=O)c1ccc(OCC(O)CNC(C)(C)C)cc1 | 10.1021/jm00354a003 | |||
| 11722868 | 214097 | 0 | None | 7 | 2 | Guinea pig | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 309 | 8 | 2 | 5 | 1.9 | COC(=O)CCc1ccc(OCC(O)CNC(C)(C)C)cc1 | 10.1021/jm00354a003 | |||
| CHEMBL31025 | 214097 | 0 | None | 7 | 2 | Guinea pig | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 309 | 8 | 2 | 5 | 1.9 | COC(=O)CCc1ccc(OCC(O)CNC(C)(C)C)cc1 | 10.1021/jm00354a003 | |||
| 12238216 | 216766 | 0 | None | 2 | 2 | Guinea pig | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 281 | 8 | 2 | 5 | 1.6 | CCOC(=O)c1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00354a003 | |||
| CHEMBL31608 | 216766 | 0 | None | 2 | 2 | Guinea pig | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 281 | 8 | 2 | 5 | 1.6 | CCOC(=O)c1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00354a003 | |||
| 13040909 | 216813 | 0 | None | 19 | 2 | Guinea pig | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 417 | 13 | 2 | 7 | 2.4 | COC(=O)CCc1ccc(OCC(O)CNCCc2ccc(OC)c(OC)c2)cc1 | 10.1021/jm00354a003 | |||
| CHEMBL31638 | 216813 | 0 | None | 19 | 2 | Guinea pig | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 417 | 13 | 2 | 7 | 2.4 | COC(=O)CCc1ccc(OCC(O)CNCCc2ccc(OC)c(OC)c2)cc1 | 10.1021/jm00354a003 | |||
| 12238216 | 216766 | 0 | None | 2 | 2 | Guinea pig | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 281 | 8 | 2 | 5 | 1.6 | CCOC(=O)c1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00103a004 | |||
| CHEMBL31608 | 216766 | 0 | None | 2 | 2 | Guinea pig | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 281 | 8 | 2 | 5 | 1.6 | CCOC(=O)c1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00103a004 | |||
| 159899 | 217190 | 31 | None | 1 | 2 | Guinea pig | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 217 | 4 | 2 | 3 | 1.5 | NCC(O)COc1cccc2ccccc12 | 10.1021/jm00354a002 | |||
| CHEMBL31888 | 217190 | 31 | None | 1 | 2 | Guinea pig | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 217 | 4 | 2 | 3 | 1.5 | NCC(O)COc1cccc2ccccc12 | 10.1021/jm00354a002 | |||
| 13040917 | 199969 | 0 | None | None | None | Guinea pig | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 383 | 11 | 2 | 9 | 0.3 | CCOC(=O)C(NCC(O)COc1ccccc1C(=O)OC)C(=O)OCC | 10.1021/jm00354a003 | |||
| CHEMBL285233 | 199969 | 0 | None | None | None | Guinea pig | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 383 | 11 | 2 | 9 | 0.3 | CCOC(=O)C(NCC(O)COc1ccccc1C(=O)OC)C(=O)OCC | 10.1021/jm00354a003 | |||
| 15578604 | 216748 | 1 | None | -1 | 2 | Guinea pig | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 253 | 7 | 2 | 5 | 0.5 | COC(=O)CNCC(O)COc1ccccc1C | 10.1021/jm00354a002 | |||
| CHEMBL31598 | 216748 | 1 | None | -1 | 2 | Guinea pig | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 253 | 7 | 2 | 5 | 0.5 | COC(=O)CNCC(O)COc1ccccc1C | 10.1021/jm00354a002 | |||
| 56598831 | 180000 | 0 | None | 295 | 2 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 459 | 15 | 5 | 7 | 2.3 | O=C(NCCNCC(O)COc1ccc(OCCOCC2CC2)cc1)Nc1ccc(O)cc1 | 10.1021/jm400348g | |||
| CHEMBL2365796 | 180000 | 0 | None | 295 | 2 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 459 | 15 | 5 | 7 | 2.3 | O=C(NCCNCC(O)COc1ccc(OCCOCC2CC2)cc1)Nc1ccc(O)cc1 | 10.1021/jm400348g | |||
| 54756927 | 137787 | 0 | None | -97 | 3 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 833 | 22 | 4 | 8 | 7.5 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | |||
| CHEMBL1830486 | 137787 | 0 | None | -97 | 3 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 833 | 22 | 4 | 8 | 7.5 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | |||
| 54579961 | 125782 | 0 | None | -3 | 2 | Guinea pig | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 254 | 7 | 2 | 4 | 1.9 | CC(C)(C)NC[C@@H](O)CON=C(C1CC1)C1CC1 | 10.1021/jm00145a008 | |||
| CHEMBL1788274 | 125782 | 0 | None | -3 | 2 | Guinea pig | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 254 | 7 | 2 | 4 | 1.9 | CC(C)(C)NC[C@@H](O)CON=C(C1CC1)C1CC1 | 10.1021/jm00145a008 | |||
| 3486 | 6418 | 47 | None | 3 | 6 | Rat | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00207a025 | |||
| 4883 | 6418 | 47 | None | 3 | 6 | Rat | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00207a025 | |||
| 555 | 6418 | 47 | None | 3 | 6 | Rat | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00207a025 | |||
| CHEMBL6995 | 6418 | 47 | None | 3 | 6 | Rat | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00207a025 | |||
| DB01297 | 6418 | 47 | None | 3 | 6 | Rat | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00207a025 | |||
| 44274622 | 199980 | 0 | None | -3 | 2 | Guinea pig | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 215 | 6 | 2 | 3 | 1.6 | CC(OCC(O)CNC(C)(C)C)C1CC1 | 10.1021/jm00376a011 | |||
| CHEMBL285309 | 199980 | 0 | None | -3 | 2 | Guinea pig | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 215 | 6 | 2 | 3 | 1.6 | CC(OCC(O)CNC(C)(C)C)C1CC1 | 10.1021/jm00376a011 | |||
| 29072430 | 315312 | 11 | None | -6 | 2 | Human | 4.5 | pKd | = | 4.5 | Binding | ChEMBL | 365 | 4 | 1 | 5 | 3.9 | COc1cccc(/C=C2\Oc3c(CN4CCCC4)c(O)cc(C)c3C2=O)c1 | 10.1021/acsmedchemlett.6b00363 | |||
| 8071397 | 315312 | 11 | None | -6 | 2 | Human | 4.5 | pKd | = | 4.5 | Binding | ChEMBL | 365 | 4 | 1 | 5 | 3.9 | COc1cccc(/C=C2\Oc3c(CN4CCCC4)c(O)cc(C)c3C2=O)c1 | 10.1021/acsmedchemlett.6b00363 | |||
| CHEMBL4101524 | 315312 | 11 | None | -6 | 2 | Human | 4.5 | pKd | = | 4.5 | Binding | ChEMBL | 365 | 4 | 1 | 5 | 3.9 | COc1cccc(/C=C2\Oc3c(CN4CCCC4)c(O)cc(C)c3C2=O)c1 | 10.1021/acsmedchemlett.6b00363 | |||
| 54758417 | 137786 | 0 | None | -38 | 3 | Human | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 805 | 20 | 4 | 8 | 6.7 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | |||
| CHEMBL1830485 | 137786 | 0 | None | -38 | 3 | Human | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 805 | 20 | 4 | 8 | 6.7 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | |||
| 214004 | 220000 | 2 | None | None | None | Rat | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 0.8 | CNC(=O)c1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00207a025 | |||
| CHEMBL3247301 | 220000 | 2 | None | None | None | Rat | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 0.8 | CNC(=O)c1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00207a025 | |||
| 3067050 | 193838 | 0 | None | -3 | 2 | Guinea pig | 4.4 | pKd | = | 4.4 | Binding | ChEMBL | 215 | 6 | 2 | 3 | 1.7 | C=CC(C)(C)OCC(O)CNC(C)(C)C | 10.1021/jm00376a011 | |||
| CHEMBL24586 | 193838 | 0 | None | -3 | 2 | Guinea pig | 4.4 | pKd | = | 4.4 | Binding | ChEMBL | 215 | 6 | 2 | 3 | 1.7 | C=CC(C)(C)OCC(O)CNC(C)(C)C | 10.1021/jm00376a011 | |||
| 14201550 | 202254 | 0 | None | None | None | Guinea pig | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 263 | 7 | 2 | 3 | 2.1 | O[C@H](COCCCc1ccccc1)[C@H]1CCCCN1 | 10.1021/jm00119a011 | |||
| CHEMBL302605 | 202254 | 0 | None | None | None | Guinea pig | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 263 | 7 | 2 | 3 | 2.1 | O[C@H](COCCCc1ccccc1)[C@H]1CCCCN1 | 10.1021/jm00119a011 | |||
| 16415941 | 314918 | 12 | None | -2 | 2 | Human | 4.4 | pKd | = | 4.4 | Binding | ChEMBL | 375 | 3 | 1 | 5 | 4.7 | Cc1cc(O)c(CN2CCCC2)c2c1C(=O)/C(=C/c1cc3ccccc3o1)O2 | 10.1021/acsmedchemlett.6b00363 | |||
| 16415942 | 314918 | 12 | None | -2 | 2 | Human | 4.4 | pKd | = | 4.4 | Binding | ChEMBL | 375 | 3 | 1 | 5 | 4.7 | Cc1cc(O)c(CN2CCCC2)c2c1C(=O)/C(=C/c1cc3ccccc3o1)O2 | 10.1021/acsmedchemlett.6b00363 | |||
| CHEMBL4097144 | 314918 | 12 | None | -2 | 2 | Human | 4.4 | pKd | = | 4.4 | Binding | ChEMBL | 375 | 3 | 1 | 5 | 4.7 | Cc1cc(O)c(CN2CCCC2)c2c1C(=O)/C(=C/c1cc3ccccc3o1)O2 | 10.1021/acsmedchemlett.6b00363 | |||
| 12484297 | 219277 | 0 | None | -15 | 2 | Guinea pig | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 249 | 6 | 3 | 4 | 1.3 | CC(C)NCC(O)COc1cccc2[nH]cnc12 | 10.1021/jm00188a019 | |||
| CHEMBL3228931 | 219277 | 0 | None | -15 | 2 | Guinea pig | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 249 | 6 | 3 | 4 | 1.3 | CC(C)NCC(O)COc1cccc2[nH]cnc12 | 10.1021/jm00188a019 | |||
| 2369 | 1284 | 48 | None | -10 | 5 | Guinea pig | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00103a004 | |||
| 356 | 1284 | 48 | None | -10 | 5 | Guinea pig | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00103a004 | |||
| 549 | 1284 | 48 | None | -10 | 5 | Guinea pig | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00103a004 | |||
| CHEMBL423 | 1284 | 48 | None | -10 | 5 | Guinea pig | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00103a004 | |||
| DB00195 | 1284 | 48 | None | -10 | 5 | Guinea pig | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00103a004 | |||
| 15578563 | 200249 | 0 | None | 1 | 2 | Guinea pig | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 317 | 9 | 2 | 5 | 2.1 | CCOC(=O)CCNCC(O)COc1cccc2ccccc12 | 10.1021/jm00354a002 | |||
| CHEMBL287242 | 200249 | 0 | None | 1 | 2 | Guinea pig | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 317 | 9 | 2 | 5 | 2.1 | CCOC(=O)CCNCC(O)COc1cccc2ccccc12 | 10.1021/jm00354a002 | |||
| 15578588 | 213846 | 1 | None | 6 | 2 | Guinea pig | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 301 | 9 | 2 | 5 | 1.6 | CCOC(=O)CCNCC(O)COc1ccccc1Cl | 10.1021/jm00354a002 | |||
| CHEMBL30942 | 213846 | 1 | None | 6 | 2 | Guinea pig | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 301 | 9 | 2 | 5 | 1.6 | CCOC(=O)CCNCC(O)COc1ccccc1Cl | 10.1021/jm00354a002 | |||
| 15578608 | 217128 | 1 | None | 5 | 2 | Guinea pig | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 295 | 10 | 2 | 5 | 1.7 | CCOC(=O)CCCNCC(O)COc1ccccc1C | 10.1021/jm00354a002 | |||
| CHEMBL31857 | 217128 | 1 | None | 5 | 2 | Guinea pig | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 295 | 10 | 2 | 5 | 1.7 | CCOC(=O)CCCNCC(O)COc1ccccc1C | 10.1021/jm00354a002 | |||
| 15578590 | 317549 | 1 | None | 5 | 2 | Guinea pig | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 301 | 9 | 2 | 5 | 1.6 | CCOC(=O)CCNCC(O)COc1cccc(Cl)c1 | 10.1021/jm00354a002 | |||
| CHEMBL416030 | 317549 | 1 | None | 5 | 2 | Guinea pig | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 301 | 9 | 2 | 5 | 1.6 | CCOC(=O)CCNCC(O)COc1cccc(Cl)c1 | 10.1021/jm00354a002 | |||
| 12941056 | 202305 | 1 | None | 10 | 2 | Guinea pig | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 281 | 8 | 2 | 5 | 1.1 | COC(=O)Cc1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00354a003 | |||
| CHEMBL30292 | 202305 | 1 | None | 10 | 2 | Guinea pig | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 281 | 8 | 2 | 5 | 1.1 | COC(=O)Cc1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00354a003 | |||
| 193122 | 3907 | 4 | None | None | None | Guinea pig | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 283 | 10 | 2 | 5 | 1.5 | COCCOc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00103a004 | |||
| 542 | 3907 | 4 | None | None | None | Guinea pig | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 283 | 10 | 2 | 5 | 1.5 | COCCOc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00103a004 | |||
| CHEMBL142773 | 3907 | 4 | None | None | None | Guinea pig | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 283 | 10 | 2 | 5 | 1.5 | COCCOc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00103a004 | |||
| 15569837 | 216212 | 1 | None | 6 | 2 | Guinea pig | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 301 | 9 | 2 | 5 | 1.6 | CCOC(=O)CCNCC(O)COc1ccc(Cl)cc1 | 10.1021/jm00354a002 | |||
| CHEMBL31411 | 216212 | 1 | None | 6 | 2 | Guinea pig | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 301 | 9 | 2 | 5 | 1.6 | CCOC(=O)CCNCC(O)COc1ccc(Cl)cc1 | 10.1021/jm00354a002 | |||
| 15578596 | 220925 | 1 | None | -1 | 2 | Guinea pig | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 297 | 10 | 2 | 6 | 1.0 | CCOC(=O)CCNCC(O)COc1cccc(OC)c1 | 10.1021/jm00354a002 | |||
| CHEMBL32736 | 220925 | 1 | None | -1 | 2 | Guinea pig | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 297 | 10 | 2 | 6 | 1.0 | CCOC(=O)CCNCC(O)COc1cccc(OC)c1 | 10.1021/jm00354a002 | |||
| 15578614 | 202900 | 0 | None | None | None | Guinea pig | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 315 | 9 | 2 | 5 | 2.0 | O=C(CCNCC(O)COc1ccccc1)Oc1ccccc1 | 10.1021/jm00354a002 | |||
| CHEMBL30558 | 202900 | 0 | None | None | None | Guinea pig | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 315 | 9 | 2 | 5 | 2.0 | O=C(CCNCC(O)COc1ccccc1)Oc1ccccc1 | 10.1021/jm00354a002 | |||
| 13040902 | 214589 | 0 | None | 1 | 2 | Guinea pig | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 323 | 11 | 2 | 5 | 2.3 | CCCOC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00354a003 | |||
| CHEMBL31117 | 214589 | 0 | None | 1 | 2 | Guinea pig | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 323 | 11 | 2 | 5 | 2.3 | CCCOC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00354a003 | |||
| 14348818 | 219332 | 0 | None | -5 | 3 | Guinea pig | 4.4 | pKd | = | 4.4 | Binding | ChEMBL | 415 | 7 | 4 | 7 | 2.9 | C/C(=N\OCC(O)CNC(C)(C)C)c1cc(Cl)c(NC2=NCCN2)c(Cl)c1 | 10.1021/jm00115a008 | |||
| CHEMBL323176 | 219332 | 0 | None | -5 | 3 | Guinea pig | 4.4 | pKd | = | 4.4 | Binding | ChEMBL | 415 | 7 | 4 | 7 | 2.9 | C/C(=N\OCC(O)CNC(C)(C)C)c1cc(Cl)c(NC2=NCCN2)c(Cl)c1 | 10.1021/jm00115a008 | |||
| 13162 | 7899 | 43 | None | -31622 | 4 | Guinea pig | 4.4 | pKd | = | 4.4 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | ClC1=CC=CC(=C1NC2=NCCN2)Cl | 10.1021/jm00115a008 | |||
| 2803 | 7899 | 43 | None | -31622 | 4 | Guinea pig | 4.4 | pKd | = | 4.4 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | ClC1=CC=CC(=C1NC2=NCCN2)Cl | 10.1021/jm00115a008 | |||
| CHEMBL134 | 7899 | 43 | None | -31622 | 4 | Guinea pig | 4.4 | pKd | = | 4.4 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | ClC1=CC=CC(=C1NC2=NCCN2)Cl | 10.1021/jm00115a008 | |||
| 14348818 | 219332 | 0 | None | -5 | 3 | Guinea pig | 4.4 | pKd | = | 4.4 | Binding | ChEMBL | 415 | 7 | 4 | 7 | 2.9 | C/C(=N\OCC(O)CNC(C)(C)C)c1cc(Cl)c(NC2=NCCN2)c(Cl)c1 | 10.1021/jm00115a008 | |||
| CHEMBL323176 | 219332 | 0 | None | -5 | 3 | Guinea pig | 4.4 | pKd | = | 4.4 | Binding | ChEMBL | 415 | 7 | 4 | 7 | 2.9 | C/C(=N\OCC(O)CNC(C)(C)C)c1cc(Cl)c(NC2=NCCN2)c(Cl)c1 | 10.1021/jm00115a008 | |||
| 135079 | 24789 | 0 | None | 9772 | 2 | Guinea pig | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 479 | 12 | 3 | 7 | 4.4 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cc2)cc1OC | 10.1021/jm00361a004 | |||
| CHEMBL11671 | 24789 | 0 | None | 9772 | 2 | Guinea pig | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 479 | 12 | 3 | 7 | 4.4 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cc2)cc1OC | 10.1021/jm00361a004 | |||
| 14201539 | 461719 | 0 | None | 1 | 2 | Guinea pig | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 271 | 4 | 2 | 3 | 2.7 | O[C@H](COc1ccc2ccccc2c1)[C@H]1CCCCN1 | 10.1021/jm00119a011 | |||
| CHEMBL66384 | 461719 | 0 | None | 1 | 2 | Guinea pig | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 271 | 4 | 2 | 3 | 2.7 | O[C@H](COc1ccc2ccccc2c1)[C@H]1CCCCN1 | 10.1021/jm00119a011 | |||
| 2249 | 1058 | 67 | None | 3 | 3 | Guinea pig | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm00208a015 | |||
| 255 | 1058 | 67 | None | 3 | 3 | Guinea pig | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm00208a015 | |||
| 548 | 1058 | 67 | None | 3 | 3 | Guinea pig | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm00208a015 | |||
| CHEMBL24 | 1058 | 67 | None | 3 | 3 | Guinea pig | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm00208a015 | |||
| DB00335 | 1058 | 67 | None | 3 | 3 | Guinea pig | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm00208a015 | |||
| 13621723 | 24255 | 0 | None | 1698 | 2 | Guinea pig | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 395 | 10 | 5 | 5 | 2.2 | O=C(NCCNCC(O)COc1ccc(-c2ncc[nH]2)cc1)Nc1ccccc1 | 10.1021/jm00156a028 | |||
| CHEMBL11467 | 24255 | 0 | None | 1698 | 2 | Guinea pig | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 395 | 10 | 5 | 5 | 2.2 | O=C(NCCNCC(O)COc1ccc(-c2ncc[nH]2)cc1)Nc1ccccc1 | 10.1021/jm00156a028 | |||
| 13621665 | 198763 | 0 | None | 1412 | 2 | Guinea pig | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 455 | 14 | 3 | 7 | 2.9 | COCCc1c[nH]c(-c2ccc(OCC(O)CNCCc3ccc(OC)c(OC)c3)cc2)n1 | 10.1021/jm00156a028 | |||
| CHEMBL276029 | 198763 | 0 | None | 1412 | 2 | Guinea pig | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 455 | 14 | 3 | 7 | 2.9 | COCCc1c[nH]c(-c2ccc(OCC(O)CNCCc3ccc(OC)c(OC)c3)cc2)n1 | 10.1021/jm00156a028 | |||
| 328583 | 220063 | 1 | None | -676 | 2 | Guinea pig | 4.4 | pKd | = | 4.4 | Binding | ChEMBL | 177 | 2 | 2 | 2 | 1.5 | CC1(C)NC1C(O)c1ccccc1 | 10.1021/jm00199a012 | |||
| CHEMBL3251298 | 220063 | 1 | None | -676 | 2 | Guinea pig | 4.4 | pKd | = | 4.4 | Binding | ChEMBL | 177 | 2 | 2 | 2 | 1.5 | CC1(C)NC1C(O)c1ccccc1 | 10.1021/jm00199a012 | |||
| 29074692 | 315573 | 10 | None | -2 | 2 | Human | 4.4 | pKd | = | 4.4 | Binding | ChEMBL | 339 | 4 | 1 | 5 | 3.4 | COc1cccc(/C=C2\Oc3c(CN(C)C)c(O)cc(C)c3C2=O)c1 | 10.1021/acsmedchemlett.6b00363 | |||
| 8073977 | 315573 | 10 | None | -2 | 2 | Human | 4.4 | pKd | = | 4.4 | Binding | ChEMBL | 339 | 4 | 1 | 5 | 3.4 | COc1cccc(/C=C2\Oc3c(CN(C)C)c(O)cc(C)c3C2=O)c1 | 10.1021/acsmedchemlett.6b00363 | |||
| CHEMBL4104850 | 315573 | 10 | None | -2 | 2 | Human | 4.4 | pKd | = | 4.4 | Binding | ChEMBL | 339 | 4 | 1 | 5 | 3.4 | COc1cccc(/C=C2\Oc3c(CN(C)C)c(O)cc(C)c3C2=O)c1 | 10.1021/acsmedchemlett.6b00363 | |||
| 2184756 | 118713 | 3 | None | -12 | 2 | Human | 4.3 | pKd | = | 4.3 | Binding | ChEMBL | 285 | 8 | 0 | 3 | 3.3 | CN(C)CCOCCOc1ccccc1-c1ccccc1 | 10.1021/acsmedchemlett.6b00363 | |||
| CHEMBL1623548 | 118713 | 3 | None | -12 | 2 | Human | 4.3 | pKd | = | 4.3 | Binding | ChEMBL | 285 | 8 | 0 | 3 | 3.3 | CN(C)CCOCCOc1ccccc1-c1ccccc1 | 10.1021/acsmedchemlett.6b00363 | |||
| 71662246 | 179124 | 0 | None | 11 | 2 | Human | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 471 | 14 | 4 | 6 | 3.5 | Cc1ccccc1NC(=O)NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1 | 10.1021/jm400348g | |||
| CHEMBL2348212 | 179124 | 0 | None | 11 | 2 | Human | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 471 | 14 | 4 | 6 | 3.5 | Cc1ccccc1NC(=O)NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1 | 10.1021/jm400348g | |||
| 29057664 | 314005 | 11 | None | -1 | 2 | Human | 4.3 | pKd | = | 4.3 | Binding | ChEMBL | 309 | 3 | 1 | 4 | 3.4 | Cc1cc(O)c(CN(C)C)c2c1C(=O)/C(=C/c1ccccc1)O2 | 10.1021/acsmedchemlett.6b00363 | |||
| 8035384 | 314005 | 11 | None | -1 | 2 | Human | 4.3 | pKd | = | 4.3 | Binding | ChEMBL | 309 | 3 | 1 | 4 | 3.4 | Cc1cc(O)c(CN(C)C)c2c1C(=O)/C(=C/c1ccccc1)O2 | 10.1021/acsmedchemlett.6b00363 | |||
| CHEMBL4086982 | 314005 | 11 | None | -1 | 2 | Human | 4.3 | pKd | = | 4.3 | Binding | ChEMBL | 309 | 3 | 1 | 4 | 3.4 | Cc1cc(O)c(CN(C)C)c2c1C(=O)/C(=C/c1ccccc1)O2 | 10.1021/acsmedchemlett.6b00363 | |||
| 44459922 | 197139 | 0 | None | 4 | 2 | Guinea pig | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 230 | 6 | 2 | 4 | 1.8 | C/C(=N/OCC(O)CNC(C)(C)C)C(C)C | 10.1021/jm00376a011 | |||
| CHEMBL26506 | 197139 | 0 | None | 4 | 2 | Guinea pig | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 230 | 6 | 2 | 4 | 1.8 | C/C(=N/OCC(O)CNC(C)(C)C)C(C)C | 10.1021/jm00376a011 | |||
| 13302060 | 27099 | 0 | None | 112 | 2 | Guinea pig | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 411 | 11 | 2 | 7 | 2.7 | COc1ccc(CCNCC(O)COc2ccc(-c3nccn3C)cc2)cc1OC | 10.1021/jm00156a028 | |||
| CHEMBL1188509 | 27099 | 0 | None | 112 | 2 | Guinea pig | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 411 | 11 | 2 | 7 | 2.7 | COc1ccc(CCNCC(O)COc2ccc(-c3nccn3C)cc2)cc1OC | 10.1021/jm00156a028 | |||
| 21595422 | 202307 | 0 | None | 2 | 2 | Guinea pig | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 235 | 5 | 2 | 3 | 1.7 | O[C@H](COCc1ccccc1)[C@@H]1CCCCN1 | 10.1021/jm00119a011 | |||
| CHEMBL302935 | 202307 | 0 | None | 2 | 2 | Guinea pig | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 235 | 5 | 2 | 3 | 1.7 | O[C@H](COCc1ccccc1)[C@@H]1CCCCN1 | 10.1021/jm00119a011 | |||
| 12606684 | 196429 | 0 | None | -15 | 2 | Guinea pig | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 203 | 6 | 2 | 3 | 1.4 | CC(C)COCC(O)CNC(C)(C)C | 10.1021/jm00376a011 | |||
| CHEMBL26003 | 196429 | 0 | None | -15 | 2 | Guinea pig | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 203 | 6 | 2 | 3 | 1.4 | CC(C)COCC(O)CNC(C)(C)C | 10.1021/jm00376a011 | |||
| 12548683 | 46671 | 0 | None | 2 | 2 | Guinea pig | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 267 | 7 | 2 | 5 | 1.2 | COC(=O)c1ccccc1OCC(O)CNC(C)C | 10.1021/jm00354a003 | |||
| CHEMBL13284 | 46671 | 0 | None | 2 | 2 | Guinea pig | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 267 | 7 | 2 | 5 | 1.2 | COC(=O)c1ccccc1OCC(O)CNC(C)C | 10.1021/jm00354a003 | |||
| 10467512 | 193743 | 0 | None | -2 | 2 | Guinea pig | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 254 | 7 | 2 | 4 | 1.9 | CC(C)(C)NCC(O)CON=C(C1CC1)C1CC1 | 10.1021/jm00376a011 | |||
| CHEMBL285972 | 193743 | 0 | None | -2 | 2 | Guinea pig | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 254 | 7 | 2 | 4 | 1.9 | CC(C)(C)NCC(O)CON=C(C1CC1)C1CC1 | 10.1021/jm00376a011 | |||
| 13621599 | 24200 | 0 | None | 3981 | 2 | Guinea pig | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 513 | 12 | 3 | 7 | 5.0 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cc2Cl)cc1OC | 10.1021/jm00156a028 | |||
| CHEMBL11431 | 24200 | 0 | None | 3981 | 2 | Guinea pig | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 513 | 12 | 3 | 7 | 5.0 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cc2Cl)cc1OC | 10.1021/jm00156a028 | |||
| 13040884 | 47602 | 0 | None | 15 | 2 | Guinea pig | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 389 | 11 | 2 | 7 | 2.1 | COC(=O)c1ccccc1OCC(O)CNCCc1ccc(OC)c(OC)c1 | 10.1021/jm00354a003 | |||
| CHEMBL13358 | 47602 | 0 | None | 15 | 2 | Guinea pig | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 389 | 11 | 2 | 7 | 2.1 | COC(=O)c1ccccc1OCC(O)CNCCc1ccc(OC)c(OC)c1 | 10.1021/jm00354a003 | |||
| 13621796 | 23752 | 0 | None | 1659 | 2 | Guinea pig | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 480 | 12 | 3 | 8 | 3.8 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cn2)cc1OC | 10.1021/jm00156a028 | |||
| CHEMBL11178 | 23752 | 0 | None | 1659 | 2 | Guinea pig | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 480 | 12 | 3 | 8 | 3.8 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cn2)cc1OC | 10.1021/jm00156a028 | |||
| 13157365 | 255753 | 0 | None | 239 | 2 | Guinea pig | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 465 | 11 | 3 | 6 | 3.7 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(C(F)(F)F)c[nH]3)cc2)cc1OC | 10.1021/jm00361a004 | |||
| CHEMBL366389 | 255753 | 0 | None | 239 | 2 | Guinea pig | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 465 | 11 | 3 | 6 | 3.7 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(C(F)(F)F)c[nH]3)cc2)cc1OC | 10.1021/jm00361a004 | |||
| 12462216 | 222145 | 0 | None | 2 | 2 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 287 | 5 | 2 | 3 | 2.5 | COc1cc(Br)ccc1C(O)CNC(C)C | 10.1021/jm00208a015 | |||
| CHEMBL3303705 | 222145 | 0 | None | 2 | 2 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 287 | 5 | 2 | 3 | 2.5 | COc1cc(Br)ccc1C(O)CNC(C)C | 10.1021/jm00208a015 | |||
| 13040883 | 199396 | 1 | None | -1 | 2 | Guinea pig | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 297 | 8 | 3 | 6 | 0.6 | COC(=O)c1ccccc1OCC(O)CNC(C)(C)CO | 10.1021/jm00354a003 | |||
| CHEMBL281298 | 199396 | 1 | None | -1 | 2 | Guinea pig | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 297 | 8 | 3 | 6 | 0.6 | COC(=O)c1ccccc1OCC(O)CNC(C)(C)CO | 10.1021/jm00354a003 | |||
| 13040896 | 202297 | 4 | None | 15 | 2 | Guinea pig | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 293 | 8 | 2 | 5 | 1.6 | COC(=O)/C=C/c1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00354a003 | |||
| CHEMBL30289 | 202297 | 4 | None | 15 | 2 | Guinea pig | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 293 | 8 | 2 | 5 | 1.6 | COC(=O)/C=C/c1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00354a003 | |||
| 9970852 | 220004 | 0 | None | 25 | 2 | Rat | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 279 | 8 | 2 | 4 | 2.5 | C/C=C/c1ccc(OCC(O)CNC(C)C)c(OC)c1 | 10.1021/jm00207a025 | |||
| CHEMBL3247308 | 220004 | 0 | None | 25 | 2 | Rat | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 279 | 8 | 2 | 4 | 2.5 | C/C=C/c1ccc(OCC(O)CNC(C)C)c(OC)c1 | 10.1021/jm00207a025 | |||
| 15578573 | 216988 | 1 | None | 25 | 2 | Guinea pig | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 267 | 9 | 2 | 5 | 1.0 | CCOC(=O)CCNCC(O)COc1ccccc1 | 10.1021/jm00354a002 | |||
| CHEMBL31772 | 216988 | 1 | None | 25 | 2 | Guinea pig | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 267 | 9 | 2 | 5 | 1.0 | CCOC(=O)CCNCC(O)COc1ccccc1 | 10.1021/jm00354a002 | |||
| 13621595 | 21914 | 0 | None | 575 | 2 | Guinea pig | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 489 | 11 | 3 | 6 | 3.7 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(C)c[nH]3)cc2Br)cc1OC | 10.1021/jm00156a028 | |||
| CHEMBL10879 | 21914 | 0 | None | 575 | 2 | Guinea pig | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 489 | 11 | 3 | 6 | 3.7 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(C)c[nH]3)cc2Br)cc1OC | 10.1021/jm00156a028 | |||
| 13040890 | 214132 | 0 | None | 3 | 2 | Guinea pig | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 279 | 8 | 2 | 5 | 1.7 | C=COC(=O)c1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00103a004 | |||
| CHEMBL31036 | 214132 | 0 | None | 3 | 2 | Guinea pig | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 279 | 8 | 2 | 5 | 1.7 | C=COC(=O)c1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00103a004 | |||
| 13040890 | 214132 | 0 | None | 3 | 2 | Guinea pig | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 279 | 8 | 2 | 5 | 1.7 | C=COC(=O)c1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00354a003 | |||
| CHEMBL31036 | 214132 | 0 | None | 3 | 2 | Guinea pig | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 279 | 8 | 2 | 5 | 1.7 | C=COC(=O)c1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00354a003 | |||
| 14348818 | 219332 | 0 | None | -5 | 3 | Guinea pig | 4.3 | pKd | = | 4.3 | Binding | ChEMBL | 415 | 7 | 4 | 7 | 2.9 | C/C(=N\OCC(O)CNC(C)(C)C)c1cc(Cl)c(NC2=NCCN2)c(Cl)c1 | 10.1021/jm00115a008 | |||
| CHEMBL323176 | 219332 | 0 | None | -5 | 3 | Guinea pig | 4.3 | pKd | = | 4.3 | Binding | ChEMBL | 415 | 7 | 4 | 7 | 2.9 | C/C(=N\OCC(O)CNC(C)(C)C)c1cc(Cl)c(NC2=NCCN2)c(Cl)c1 | 10.1021/jm00115a008 | |||
| 14348819 | 23727 | 0 | None | None | None | Guinea pig | 4.3 | pKd | = | 4.3 | Binding | ChEMBL | 374 | 6 | 4 | 6 | 2.5 | CC(C)(C)NCC(O)COc1cc(Cl)c(NC2=NCCN2)c(Cl)c1 | 10.1021/jm00115a008 | |||
| CHEMBL111694 | 23727 | 0 | None | None | None | Guinea pig | 4.3 | pKd | = | 4.3 | Binding | ChEMBL | 374 | 6 | 4 | 6 | 2.5 | CC(C)(C)NCC(O)COc1cc(Cl)c(NC2=NCCN2)c(Cl)c1 | 10.1021/jm00115a008 | |||
| 14348818 | 219332 | 0 | None | -5 | 3 | Guinea pig | 4.3 | pKd | = | 4.3 | Binding | ChEMBL | 415 | 7 | 4 | 7 | 2.9 | C/C(=N\OCC(O)CNC(C)(C)C)c1cc(Cl)c(NC2=NCCN2)c(Cl)c1 | 10.1021/jm00115a008 | |||
| CHEMBL323176 | 219332 | 0 | None | -5 | 3 | Guinea pig | 4.3 | pKd | = | 4.3 | Binding | ChEMBL | 415 | 7 | 4 | 7 | 2.9 | C/C(=N\OCC(O)CNC(C)(C)C)c1cc(Cl)c(NC2=NCCN2)c(Cl)c1 | 10.1021/jm00115a008 | |||
| 13157384 | 155102 | 0 | None | None | None | Guinea pig | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 479 | 12 | 3 | 7 | 4.4 | COc1ccc(CCNC[C@@H](O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cc2)cc1OC | 10.1021/jm00361a004 | |||
| CHEMBL2109975 | 155102 | 0 | None | None | None | Guinea pig | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 479 | 12 | 3 | 7 | 4.4 | COc1ccc(CCNC[C@@H](O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cc2)cc1OC | 10.1021/jm00361a004 | |||
| 54757229 | 137815 | 0 | None | -33 | 3 | Human | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 795 | 22 | 4 | 8 | 6.3 | C=CCc1ccccc1OCC(O)CNCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | |||
| CHEMBL1830617 | 137815 | 0 | None | -33 | 3 | Human | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 795 | 22 | 4 | 8 | 6.3 | C=CCc1ccccc1OCC(O)CNCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | |||
| 44307572 | 468104 | 0 | None | 1 | 2 | Guinea pig | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 235 | 4 | 1 | 3 | 1.9 | CN1CCCC[C@H]1[C@H](O)COc1ccccc1 | 10.1021/jm00119a011 | |||
| CHEMBL63582 | 468104 | 0 | None | 1 | 2 | Guinea pig | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 235 | 4 | 1 | 3 | 1.9 | CN1CCCC[C@H]1[C@H](O)COc1ccccc1 | 10.1021/jm00119a011 | |||
| 54757026 | 137790 | 0 | None | -74 | 3 | Human | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 833 | 22 | 4 | 8 | 7.5 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | |||
| CHEMBL1830489 | 137790 | 0 | None | -74 | 3 | Human | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 833 | 22 | 4 | 8 | 7.5 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | |||
| 173 | 6634 | 59 | None | -2 | 2 | Human | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | 10.1021/jm400140q | |||
| 5011 | 6634 | 59 | None | -2 | 2 | Human | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | 10.1021/jm400140q | |||
| CHEMBL18772 | 6634 | 59 | None | -2 | 2 | Human | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | 10.1021/jm400140q | |||
| 173 | 6634 | 59 | None | -2 | 2 | Human | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | 10.1021/jm400140q | |||
| 5011 | 6634 | 59 | None | -2 | 2 | Human | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | 10.1021/jm400140q | |||
| CHEMBL18772 | 6634 | 59 | None | -2 | 2 | Human | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | 10.1021/jm400140q | |||
| 21595420 | 468703 | 0 | None | -1 | 2 | Guinea pig | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 235 | 4 | 2 | 3 | 1.9 | Cc1ccc(OC[C@@H](O)[C@@H]2CCCCN2)cc1 | 10.1021/jm00119a011 | |||
| CHEMBL67631 | 468703 | 0 | None | -1 | 2 | Guinea pig | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 235 | 4 | 2 | 3 | 1.9 | Cc1ccc(OC[C@@H](O)[C@@H]2CCCCN2)cc1 | 10.1021/jm00119a011 | |||
| 13590031 | 23704 | 0 | None | None | None | Guinea pig | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 414 | 11 | 2 | 7 | 3.4 | COc1ccc(CCNCC(O)COc2ccc(-c3nccs3)cc2)cc1OC | 10.1021/jm00156a028 | |||
| CHEMBL11155 | 23704 | 0 | None | None | None | Guinea pig | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 414 | 11 | 2 | 7 | 3.4 | COc1ccc(CCNCC(O)COc2ccc(-c3nccs3)cc2)cc1OC | 10.1021/jm00156a028 | |||
| 2303 | 6476 | 48 | None | -11 | 8 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | |||
| 4946 | 6476 | 48 | None | -11 | 8 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | |||
| 564 | 6476 | 48 | None | -11 | 8 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | |||
| 63 | 6476 | 48 | None | -11 | 8 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | |||
| 91536 | 6476 | 48 | None | -11 | 8 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | |||
| CHEMBL27 | 6476 | 48 | None | -11 | 8 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | |||
| CHEMBL452861 | 6476 | 48 | None | -11 | 8 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | |||
| DB00571 | 6476 | 48 | None | -11 | 8 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | |||
| 13157380 | 124887 | 0 | None | 2041 | 2 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 493 | 12 | 3 | 7 | 4.8 | COc1ccc(CC(C)NCC(O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cc2)cc1OC | 10.1021/jm00361a004 | |||
| CHEMBL177765 | 124887 | 0 | None | 2041 | 2 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 493 | 12 | 3 | 7 | 4.8 | COc1ccc(CC(C)NCC(O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cc2)cc1OC | 10.1021/jm00361a004 | |||
| 13621686 | 24150 | 0 | None | 575 | 2 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 469 | 13 | 3 | 8 | 2.8 | CCOC(=O)c1c[nH]c(-c2ccc(OCC(O)CNCCc3ccc(OC)c(OC)c3)cc2)n1 | 10.1021/jm00156a028 | |||
| CHEMBL11406 | 24150 | 0 | None | 575 | 2 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 469 | 13 | 3 | 8 | 2.8 | CCOC(=O)c1c[nH]c(-c2ccc(OCC(O)CNCCc3ccc(OC)c(OC)c3)cc2)n1 | 10.1021/jm00156a028 | |||
| 66653268 | 179113 | 0 | None | 426 | 3 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 491 | 14 | 4 | 6 | 3.8 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1cccc(Cl)c1 | 10.1021/jm400348g | |||
| CHEMBL2348201 | 179113 | 0 | None | 426 | 3 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 491 | 14 | 4 | 6 | 3.8 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1cccc(Cl)c1 | 10.1021/jm400348g | |||
| 13157405 | 159547 | 0 | None | 141 | 2 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 355 | 8 | 3 | 5 | 3.3 | O[C@@H](CNC1CC1)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00361a004 | |||
| CHEMBL2096750 | 159547 | 0 | None | 141 | 2 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 355 | 8 | 3 | 5 | 3.3 | O[C@@H](CNC1CC1)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00361a004 | |||
| 135817 | 333000 | 12 | None | None | None | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 391 | 13 | 2 | 5 | 3.2 | CC(C)NCC(O)COc1ccc(OCCOCCc2ccc(F)cc2)cc1 | 10.1021/jm00103a004 | |||
| CHEMBL43405 | 333000 | 12 | None | None | None | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 391 | 13 | 2 | 5 | 3.2 | CC(C)NCC(O)COc1ccc(OCCOCCc2ccc(F)cc2)cc1 | 10.1021/jm00103a004 | |||
| 13157402 | 327723 | 0 | None | 398 | 2 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 355 | 8 | 3 | 5 | 3.3 | OC(CNC1CC1)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00361a004 | |||
| CHEMBL434360 | 327723 | 0 | None | 398 | 2 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 355 | 8 | 3 | 5 | 3.3 | OC(CNC1CC1)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00361a004 | |||
| 13621716 | 155031 | 0 | None | 165 | 2 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 387 | 11 | 3 | 6 | 3.2 | CCOCCNC[C@H](O)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00156a028 | |||
| CHEMBL2052005 | 155031 | 0 | None | 165 | 2 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 387 | 11 | 3 | 6 | 3.2 | CCOCCNC[C@H](O)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00156a028 | |||
| 56599101 | 179110 | 0 | None | 42 | 2 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 475 | 14 | 4 | 6 | 3.3 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1cccc(F)c1 | 10.1021/jm400348g | |||
| CHEMBL2348198 | 179110 | 0 | None | 42 | 2 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 475 | 14 | 4 | 6 | 3.3 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1cccc(F)c1 | 10.1021/jm400348g | |||
| 10467512 | 193743 | 0 | None | -2 | 2 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 254 | 7 | 2 | 4 | 1.9 | CC(C)(C)NCC(O)CON=C(C1CC1)C1CC1 | 10.1021/jm00145a008 | |||
| CHEMBL285972 | 193743 | 0 | None | -2 | 2 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 254 | 7 | 2 | 4 | 1.9 | CC(C)(C)NCC(O)CON=C(C1CC1)C1CC1 | 10.1021/jm00145a008 | |||
| 13621772 | 23568 | 0 | None | 301 | 2 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 441 | 14 | 3 | 7 | 2.7 | COc1ccc(CCNCC(O)COc2ccc(COCc3ncc[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
| CHEMBL11080 | 23568 | 0 | None | 301 | 2 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 441 | 14 | 3 | 7 | 2.7 | COc1ccc(CCNCC(O)COc2ccc(COCc3ncc[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
| 12521588 | 123148 | 0 | None | 10 | 2 | Guinea pig | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 289 | 6 | 3 | 4 | 2.2 | CC(C)(C)NCC(O)COc1ccc(-c2ncc[nH]2)cc1 | 10.1021/jm00361a004 | |||
| CHEMBL174783 | 123148 | 0 | None | 10 | 2 | Guinea pig | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 289 | 6 | 3 | 4 | 2.2 | CC(C)(C)NCC(O)COc1ccc(-c2ncc[nH]2)cc1 | 10.1021/jm00361a004 | |||
| 13157410 | 256276 | 0 | None | 446 | 2 | Guinea pig | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 287 | 7 | 3 | 4 | 1.9 | Cc1c[nH]c(-c2ccc(OCC(O)CNC3CC3)cc2)n1 | 10.1021/jm00361a004 | |||
| CHEMBL366573 | 256276 | 0 | None | 446 | 2 | Guinea pig | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 287 | 7 | 3 | 4 | 1.9 | Cc1c[nH]c(-c2ccc(OCC(O)CNC3CC3)cc2)n1 | 10.1021/jm00361a004 | |||
| 12521605 | 331167 | 0 | None | 9 | 2 | Guinea pig | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 303 | 6 | 3 | 4 | 2.5 | Cc1c[nH]c(-c2ccc(OCC(O)CNC(C)(C)C)cc2)n1 | 10.1021/jm00361a004 | |||
| CHEMBL427297 | 331167 | 0 | None | 9 | 2 | Guinea pig | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 303 | 6 | 3 | 4 | 2.5 | Cc1c[nH]c(-c2ccc(OCC(O)CNC(C)(C)C)cc2)n1 | 10.1021/jm00361a004 | |||
| 13621758 | 24087 | 0 | None | 3 | 2 | Guinea pig | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 317 | 7 | 3 | 4 | 2.4 | Cc1c[nH]c(Cc2ccc(OCC(O)CNC(C)(C)C)cc2)n1 | 10.1021/jm00156a028 | |||
| CHEMBL11362 | 24087 | 0 | None | 3 | 2 | Guinea pig | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 317 | 7 | 3 | 4 | 2.4 | Cc1c[nH]c(Cc2ccc(OCC(O)CNC(C)(C)C)cc2)n1 | 10.1021/jm00156a028 | |||
| 24208809 | 219974 | 18 | None | -5 | 2 | Guinea pig | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 209 | 5 | 2 | 3 | 1.7 | COc1ccccc1C(O)CNC(C)C | 10.1021/jm00208a015 | |||
| CHEMBL3246226 | 219974 | 18 | None | -5 | 2 | Guinea pig | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 209 | 5 | 2 | 3 | 1.7 | COc1ccccc1C(O)CNC(C)C | 10.1021/jm00208a015 | |||
| 2834364 | 78632 | 20 | None | -1 | 3 | Guinea pig | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 237 | 7 | 2 | 3 | 2.0 | CCc1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00103a004 | |||
| CHEMBL143467 | 78632 | 20 | None | -1 | 3 | Guinea pig | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 237 | 7 | 2 | 3 | 2.0 | CCc1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00103a004 | |||
| 2834364 | 78632 | 20 | None | -1 | 3 | Rat | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 237 | 7 | 2 | 3 | 2.0 | CCc1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00207a025 | |||
| CHEMBL143467 | 78632 | 20 | None | -1 | 3 | Rat | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 237 | 7 | 2 | 3 | 2.0 | CCc1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00207a025 | |||
| 60903220 | 219976 | 1 | None | 1 | 2 | Guinea pig | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 257 | 4 | 2 | 2 | 2.5 | CC(C)NCC(O)c1cccc(Br)c1 | 10.1021/jm00208a015 | |||
| CHEMBL3246229 | 219976 | 1 | None | 1 | 2 | Guinea pig | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 257 | 4 | 2 | 2 | 2.5 | CC(C)NCC(O)c1cccc(Br)c1 | 10.1021/jm00208a015 | |||
| 15578561 | 214566 | 0 | None | -1 | 2 | Guinea pig | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 274 | 7 | 3 | 4 | 0.7 | NC(=O)CNCC(O)COc1cccc2ccccc12 | 10.1021/jm00354a002 | |||
| CHEMBL31099 | 214566 | 0 | None | -1 | 2 | Guinea pig | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 274 | 7 | 3 | 4 | 0.7 | NC(=O)CNCC(O)COc1cccc2ccccc12 | 10.1021/jm00354a002 | |||
| 15578559 | 216775 | 0 | None | -1 | 2 | Guinea pig | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 303 | 8 | 2 | 5 | 1.7 | CCOC(=O)CNCC(O)COc1cccc2ccccc12 | 10.1021/jm00354a002 | |||
| CHEMBL31611 | 216775 | 0 | None | -1 | 2 | Guinea pig | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 303 | 8 | 2 | 5 | 1.7 | CCOC(=O)CNCC(O)COc1cccc2ccccc12 | 10.1021/jm00354a002 | |||
| 15578570 | 200069 | 0 | None | None | None | Guinea pig | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 329 | 8 | 2 | 5 | 3.0 | CCOC(=O)c1cccc(NCC(O)COc2ccccc2C)c1 | 10.1021/jm00354a002 | |||
| CHEMBL285958 | 200069 | 0 | None | None | None | Guinea pig | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 329 | 8 | 2 | 5 | 3.0 | CCOC(=O)c1cccc(NCC(O)COc2ccccc2C)c1 | 10.1021/jm00354a002 | |||
| 13162 | 7899 | 43 | None | -31622 | 4 | Guinea pig | 4.2 | pKd | = | 4.2 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | ClC1=CC=CC(=C1NC2=NCCN2)Cl | 10.1021/jm00115a008 | |||
| 2803 | 7899 | 43 | None | -31622 | 4 | Guinea pig | 4.2 | pKd | = | 4.2 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | ClC1=CC=CC(=C1NC2=NCCN2)Cl | 10.1021/jm00115a008 | |||
| CHEMBL134 | 7899 | 43 | None | -31622 | 4 | Guinea pig | 4.2 | pKd | = | 4.2 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | ClC1=CC=CC(=C1NC2=NCCN2)Cl | 10.1021/jm00115a008 | |||
| 13157369 | 122509 | 0 | None | None | None | Guinea pig | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 273 | 7 | 3 | 4 | 1.6 | OC(CNC1CC1)COc1ccc(-c2ncc[nH]2)cc1 | 10.1021/jm00361a004 | |||
| CHEMBL172431 | 122509 | 0 | None | None | None | Guinea pig | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 273 | 7 | 3 | 4 | 1.6 | OC(CNC1CC1)COc1ccc(-c2ncc[nH]2)cc1 | 10.1021/jm00361a004 | |||
| 56597179 | 179131 | 0 | None | 501 | 2 | Human | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 473 | 14 | 5 | 7 | 2.9 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccc(O)cc1 | 10.1021/jm400348g | |||
| CHEMBL2348219 | 179131 | 0 | None | 501 | 2 | Human | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 473 | 14 | 5 | 7 | 2.9 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccc(O)cc1 | 10.1021/jm400348g | |||
| 13621593 | 23595 | 0 | None | 204 | 2 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 509 | 11 | 3 | 6 | 4.1 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(Br)c[nH]3)cc2Cl)cc1OC | 10.1021/jm00156a028 | |||
| CHEMBL11092 | 23595 | 0 | None | 204 | 2 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 509 | 11 | 3 | 6 | 4.1 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(Br)c[nH]3)cc2Cl)cc1OC | 10.1021/jm00156a028 | |||
| 13621626 | 23837 | 0 | None | 741 | 2 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 445 | 11 | 3 | 6 | 3.6 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(C)c(Cl)[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
| CHEMBL11224 | 23837 | 0 | None | 741 | 2 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 445 | 11 | 3 | 6 | 3.6 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(C)c(Cl)[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | |||
| 54757126 | 137793 | 0 | None | -57 | 3 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 893 | 26 | 4 | 10 | 6.8 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCOCCOCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | |||
| CHEMBL1830492 | 137793 | 0 | None | -57 | 3 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 893 | 26 | 4 | 10 | 6.8 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCOCCOCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | |||
| 56599229 | 179112 | 0 | None | 37 | 2 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 491 | 14 | 4 | 6 | 3.8 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccccc1Cl | 10.1021/jm400348g | |||
| CHEMBL2348200 | 179112 | 0 | None | 37 | 2 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 491 | 14 | 4 | 6 | 3.8 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccccc1Cl | 10.1021/jm400348g | |||
| 56599230 | 179115 | 0 | None | 10 | 2 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 535 | 14 | 4 | 6 | 3.9 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccccc1Br | 10.1021/jm400348g | |||
| CHEMBL2348203 | 179115 | 0 | None | 10 | 2 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 535 | 14 | 4 | 6 | 3.9 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccccc1Br | 10.1021/jm400348g | |||
| 15578577 | 337087 | 0 | None | 1 | 2 | Guinea pig | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 303 | 8 | 2 | 5 | 1.7 | COC(=O)CCNCC(O)COc1cccc2ccccc12 | 10.1021/jm00354a002 | |||
| CHEMBL448775 | 337087 | 0 | None | 1 | 2 | Guinea pig | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 303 | 8 | 2 | 5 | 1.7 | COC(=O)CCNCC(O)COc1cccc2ccccc12 | 10.1021/jm00354a002 | |||
| 13040907 | 216725 | 0 | None | 19 | 2 | Guinea pig | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 371 | 12 | 2 | 5 | 2.8 | COC(=O)CCc1ccc(OCC(O)CNCCCc2ccccc2)cc1 | 10.1021/jm00354a003 | |||
| CHEMBL31583 | 216725 | 0 | None | 19 | 2 | Guinea pig | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 371 | 12 | 2 | 5 | 2.8 | COC(=O)CCc1ccc(OCC(O)CNCCCc2ccccc2)cc1 | 10.1021/jm00354a003 | |||
| 59373811 | 219978 | 9 | None | 2 | 2 | Guinea pig | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 193 | 4 | 2 | 2 | 2.0 | Cc1cccc(C(O)CNC(C)C)c1 | 10.1021/jm00208a015 | |||
| CHEMBL3246233 | 219978 | 9 | None | 2 | 2 | Guinea pig | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 193 | 4 | 2 | 2 | 2.0 | Cc1cccc(C(O)CNC(C)C)c1 | 10.1021/jm00208a015 | |||
| 44279490 | 214362 | 0 | None | 1 | 2 | Guinea pig | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 297 | 9 | 2 | 5 | 1.8 | CCOC(=O)CCNCC(O)COC1=CC=CCC1(C)C | 10.1021/jm00354a002 | |||
| CHEMBL31050 | 214362 | 0 | None | 1 | 2 | Guinea pig | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 297 | 9 | 2 | 5 | 1.8 | CCOC(=O)CCNCC(O)COC1=CC=CCC1(C)C | 10.1021/jm00354a002 | |||
| 15578569 | 220067 | 0 | None | None | None | Guinea pig | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 329 | 8 | 2 | 5 | 3.0 | CCOC(=O)c1ccc(NCC(O)COc2ccccc2C)cc1 | 10.1021/jm00354a002 | |||
| CHEMBL32514 | 220067 | 0 | None | None | None | Guinea pig | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 329 | 8 | 2 | 5 | 3.0 | CCOC(=O)c1ccc(NCC(O)COc2ccccc2C)cc1 | 10.1021/jm00354a002 | |||
| 9576814 | 116529 | 3 | None | 2 | 2 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 228 | 6 | 2 | 4 | 1.5 | C/C(=N\OC[C@H](O)CNC(C)(C)C)C1CC1 | 10.1021/jm00145a008 | |||
| CHEMBL171059 | 116529 | 3 | None | 2 | 2 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 228 | 6 | 2 | 4 | 1.5 | C/C(=N\OC[C@H](O)CNC(C)(C)C)C1CC1 | 10.1021/jm00145a008 | |||
| 21595419 | 202208 | 0 | None | 1 | 2 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 271 | 4 | 2 | 3 | 2.7 | O[C@H](COc1ccc2ccccc2c1)[C@@H]1CCCCN1 | 10.1021/jm00119a011 | |||
| CHEMBL302339 | 202208 | 0 | None | 1 | 2 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 271 | 4 | 2 | 3 | 2.7 | O[C@H](COc1ccc2ccccc2c1)[C@@H]1CCCCN1 | 10.1021/jm00119a011 | |||
| 14201547 | 461723 | 0 | None | -2 | 2 | Guinea pig | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 235 | 5 | 2 | 3 | 1.7 | O[C@H](COCc1ccccc1)[C@H]1CCCCN1 | 10.1021/jm00119a011 | |||
| CHEMBL66702 | 461723 | 0 | None | -2 | 2 | Guinea pig | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 235 | 5 | 2 | 3 | 1.7 | O[C@H](COCc1ccccc1)[C@H]1CCCCN1 | 10.1021/jm00119a011 | |||
| 44274623 | 197142 | 1 | None | 7 | 2 | Guinea pig | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 201 | 6 | 2 | 3 | 1.2 | CC(C)(C)NCC(O)COCC1CC1 | 10.1021/jm00376a011 | |||
| CHEMBL26507 | 197142 | 1 | None | 7 | 2 | Guinea pig | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 201 | 6 | 2 | 3 | 1.2 | CC(C)(C)NCC(O)COCC1CC1 | 10.1021/jm00376a011 | |||
| 155774 | 8875 | 30 | None | 8 | 3 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10.1021/jm400348g | |||
| 2848 | 8875 | 30 | None | 8 | 3 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10.1021/jm400348g | |||
| 538 | 8875 | 30 | None | 8 | 3 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10.1021/jm400348g | |||
| CHEMBL75753 | 8875 | 30 | None | 8 | 3 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10.1021/jm400348g | |||
| DB13781 | 8875 | 30 | None | 8 | 3 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10.1021/jm400348g | |||
| 44459541 | 196497 | 0 | None | -1 | 2 | Guinea pig | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 242 | 7 | 2 | 4 | 1.9 | C/C(CC1CC1)=N/OCC(O)CNC(C)(C)C | 10.1021/jm00376a011 | |||
| CHEMBL26049 | 196497 | 0 | None | -1 | 2 | Guinea pig | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 242 | 7 | 2 | 4 | 1.9 | C/C(CC1CC1)=N/OCC(O)CNC(C)(C)C | 10.1021/jm00376a011 | |||
| 12484287 | 219276 | 0 | None | -2 | 2 | Guinea pig | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 249 | 6 | 3 | 4 | 1.3 | CC(C)NCC(O)COc1ccc2[nH]cnc2c1 | 10.1021/jm00188a019 | |||
| CHEMBL3228930 | 219276 | 0 | None | -2 | 2 | Guinea pig | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 249 | 6 | 3 | 4 | 1.3 | CC(C)NCC(O)COc1ccc2[nH]cnc2c1 | 10.1021/jm00188a019 | |||
| 54758320 | 137818 | 0 | None | -13 | 3 | Human | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 794 | 20 | 5 | 8 | 6.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCNCC(O)COc1cccc2[nH]ccc12 | 10.1021/jm2008562 | |||
| CHEMBL1830620 | 137818 | 0 | None | -13 | 3 | Human | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 794 | 20 | 5 | 8 | 6.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCNCC(O)COc1cccc2[nH]ccc12 | 10.1021/jm2008562 | |||
| 54756929 | 137789 | 0 | None | -50 | 3 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 805 | 20 | 4 | 8 | 6.7 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | |||
| CHEMBL1830488 | 137789 | 0 | None | -50 | 3 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 805 | 20 | 4 | 8 | 6.7 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | |||
| 5311116 | 4758 | 10 | None | 954 | 2 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10.1021/jm400348g | |||
| 544 | 4758 | 10 | None | 954 | 2 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10.1021/jm400348g | |||
| CHEMBL207802 | 4758 | 10 | None | 954 | 2 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10.1021/jm400348g | |||
| 56599098 | 179125 | 0 | None | 95 | 2 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 471 | 14 | 4 | 6 | 3.5 | Cc1cccc(NC(=O)NCCNCC(O)COc2ccc(OCCOC3CCCC3)cc2)c1 | 10.1021/jm400348g | |||
| CHEMBL2348213 | 179125 | 0 | None | 95 | 2 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 471 | 14 | 4 | 6 | 3.5 | Cc1cccc(NC(=O)NCCNCC(O)COc2ccc(OCCOC3CCCC3)cc2)c1 | 10.1021/jm400348g | |||
| 13157382 | 124999 | 0 | None | 3981 | 2 | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 507 | 12 | 3 | 7 | 5.2 | COc1ccc(CC(C)(C)NCC(O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cc2)cc1OC | 10.1021/jm00361a004 | |||
| CHEMBL177860 | 124999 | 0 | None | 3981 | 2 | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 507 | 12 | 3 | 7 | 5.2 | COc1ccc(CC(C)(C)NCC(O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cc2)cc1OC | 10.1021/jm00361a004 | |||
| 2303 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00188a019 | |||
| 4946 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00188a019 | |||
| 564 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00188a019 | |||
| 63 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00188a019 | |||
| 91536 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00188a019 | |||
| CHEMBL27 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00188a019 | |||
| CHEMBL452861 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00188a019 | |||
| DB00571 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00188a019 | |||
| 44459890 | 200188 | 0 | None | 8 | 2 | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 214 | 6 | 2 | 4 | 1.1 | CC(C)(C)NCC(O)CO/N=C\C1CC1 | 10.1021/jm00376a011 | |||
| CHEMBL286783 | 200188 | 0 | None | 8 | 2 | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 214 | 6 | 2 | 4 | 1.1 | CC(C)(C)NCC(O)CO/N=C\C1CC1 | 10.1021/jm00376a011 | |||
| 54757129 | 137794 | 0 | None | -29 | 3 | Human | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 795 | 22 | 4 | 8 | 6.3 | C=CCc1ccccc1OC[C@@H](O)CNCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | |||
| CHEMBL1830493 | 137794 | 0 | None | -29 | 3 | Human | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 795 | 22 | 4 | 8 | 6.3 | C=CCc1ccccc1OC[C@@H](O)CNCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | |||
| 56598833 | 179129 | 0 | None | None | None | Human | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 433 | 14 | 5 | 7 | 2.0 | CCOCCOc1ccc(OCC(O)CNCCNC(=O)Nc2ccc(O)cc2)cc1 | 10.1021/jm400348g | |||
| CHEMBL2348217 | 179129 | 0 | None | None | None | Human | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 433 | 14 | 5 | 7 | 2.0 | CCOCCOc1ccc(OCC(O)CNCCNC(=O)Nc2ccc(O)cc2)cc1 | 10.1021/jm400348g | |||
| 13621725 | 23826 | 1 | None | None | None | Guinea pig | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 389 | 12 | 5 | 5 | 1.8 | CCCCNC(=O)NCCNCC(O)COc1ccc(-c2nc(C)c[nH]2)cc1 | 10.1021/jm00156a028 | |||
| CHEMBL11219 | 23826 | 1 | None | None | None | Guinea pig | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 389 | 12 | 5 | 5 | 1.8 | CCCCNC(=O)NCCNCC(O)COc1ccc(-c2nc(C)c[nH]2)cc1 | 10.1021/jm00156a028 | |||
| 21595421 | 328441 | 0 | None | -28 | 2 | Guinea pig | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 235 | 4 | 2 | 3 | 1.9 | Cc1cccc(OC[C@@H](O)[C@@H]2CCCCN2)c1 | 10.1021/jm00119a011 | |||
| CHEMBL419994 | 328441 | 0 | None | -28 | 2 | Guinea pig | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 235 | 4 | 2 | 3 | 1.9 | Cc1cccc(OC[C@@H](O)[C@@H]2CCCCN2)c1 | 10.1021/jm00119a011 | |||
| 56599100 | 179127 | 0 | None | 12 | 2 | Human | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 487 | 15 | 4 | 7 | 3.2 | COc1ccccc1NC(=O)NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1 | 10.1021/jm400348g | |||
| CHEMBL2348215 | 179127 | 0 | None | 12 | 2 | Human | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 487 | 15 | 4 | 7 | 3.2 | COc1ccccc1NC(=O)NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1 | 10.1021/jm400348g | |||
| 6917762 | 23629 | 5 | None | -1 | 2 | Guinea pig | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 228 | 6 | 2 | 4 | 1.5 | C/C(=N\OCC(O)CNC(C)(C)C)C1CC1 | 10.1021/jm00145a008 | |||
| CHEMBL111103 | 23629 | 5 | None | -1 | 2 | Guinea pig | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 228 | 6 | 2 | 4 | 1.5 | C/C(=N\OCC(O)CNC(C)(C)C)C1CC1 | 10.1021/jm00145a008 | |||
| 54758415 | 137819 | 0 | None | -6 | 3 | Human | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 882 | 26 | 5 | 10 | 6.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCOCCOCCNCC(O)COc1cccc2[nH]ccc12 | 10.1021/jm2008562 | |||
| CHEMBL1830621 | 137819 | 0 | None | -6 | 3 | Human | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 882 | 26 | 5 | 10 | 6.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCOCCOCCNCC(O)COc1cccc2[nH]ccc12 | 10.1021/jm2008562 | |||
| 20986823 | 312773 | 5 | None | -4 | 2 | Human | 4.0 | pKd | = | 4.0 | Binding | ChEMBL | 243 | 5 | 0 | 3 | 2.6 | CN(C)CCOc1ccc2ccccc2c1C=O | 10.1021/acsmedchemlett.6b00363 | |||
| CHEMBL4071616 | 312773 | 5 | None | -4 | 2 | Human | 4.0 | pKd | = | 4.0 | Binding | ChEMBL | 243 | 5 | 0 | 3 | 2.6 | CN(C)CCOc1ccc2ccccc2c1C=O | 10.1021/acsmedchemlett.6b00363 | |||
| 9849699 | 145472 | 23 | None | -1 | 2 | Human | 10.6 | pKi | = | 10.6 | Binding | ChEMBL | 524 | 11 | 4 | 6 | 5.0 | CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12 | 10.1021/ml200071k | |||
| CHEMBL2012520 | 145472 | 23 | None | -1 | 2 | Human | 10.6 | pKi | = | 10.6 | Binding | ChEMBL | 524 | 11 | 4 | 6 | 5.0 | CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12 | 10.1021/ml200071k | |||
| DB12858 | 145472 | 23 | None | -1 | 2 | Human | 10.6 | pKi | = | 10.6 | Binding | ChEMBL | 524 | 11 | 4 | 6 | 5.0 | CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12 | 10.1021/ml200071k | |||
| 487 | 1642 | 55 | None | -4 | 5 | Mouse | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | 10.1021/acs.jmedchem.9b00349 | |||
| 569 | 1642 | 55 | None | -4 | 5 | Mouse | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | 10.1021/acs.jmedchem.9b00349 | |||
| 71739 | 1642 | 55 | None | -4 | 5 | Mouse | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | 10.1021/acs.jmedchem.9b00349 | |||
| CHEMBL324665 | 1642 | 55 | None | -4 | 5 | Mouse | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | 10.1021/acs.jmedchem.9b00349 | |||
| 46889772 | 21324 | 0 | None | 79 | 3 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 563 | 8 | 2 | 6 | 5.2 | COc1cc2c3c(cccc3c1)C(=O)N(CC1CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC1)C2=O | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL1084707 | 21324 | 0 | None | 79 | 3 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 563 | 8 | 2 | 6 | 5.2 | COc1cc2c3c(cccc3c1)C(=O)N(CC1CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC1)C2=O | 10.1016/j.bmcl.2010.04.009 | |||
| 2585 | 1662 | 62 | None | -1 | 22 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | |||
| 522 | 1662 | 62 | None | -1 | 22 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | |||
| 551 | 1662 | 62 | None | -1 | 22 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | |||
| CHEMBL723 | 1662 | 62 | None | -1 | 22 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | |||
| DB01136 | 1662 | 62 | None | -1 | 22 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | |||
| 2239 | 474203 | 48 | None | 3 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 371 | 7 | 3 | 7 | 2.8 | CC(C)(C)NCC(O)CSc1nc(-c2ccc(C(N)=O)s2)cs1 | 10.1016/j.ejmech.2023.115172 | |||
| CHEMBL93298 | 474203 | 48 | None | 3 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 371 | 7 | 3 | 7 | 2.8 | CC(C)(C)NCC(O)CSc1nc(-c2ccc(C(N)=O)s2)cs1 | 10.1016/j.ejmech.2023.115172 | |||
| DB09204 | 474203 | 48 | None | 3 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 371 | 7 | 3 | 7 | 2.8 | CC(C)(C)NCC(O)CSc1nc(-c2ccc(C(N)=O)s2)cs1 | 10.1016/j.ejmech.2023.115172 | |||
| 185395 | 270561 | 40 | None | -6 | 3 | Mouse | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNC[C@H](O)COc1cccc2[nH]c3ccccc3c12 | 10.1021/acs.jmedchem.9b00349 | |||
| CHEMBL3799125 | 270561 | 40 | None | -6 | 3 | Mouse | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNC[C@H](O)COc1cccc2[nH]c3ccccc3c12 | 10.1021/acs.jmedchem.9b00349 | |||
| 531 | 7893 | 1 | None | -2 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 279 | 5 | 4 | 4 | 1.0 | O[C@H](COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 10.1021/jm000544b | |||
| 6603756 | 7893 | 1 | None | -2 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 279 | 5 | 4 | 4 | 1.0 | O[C@H](COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 10.1021/jm000544b | |||
| CHEMBL36060 | 7893 | 1 | None | -2 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 279 | 5 | 4 | 4 | 1.0 | O[C@H](COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 10.1021/jm000544b | |||
| 127 | 6360 | 38 | None | 2 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | O[C@H](COc1cccc2c1cc[nH]2)CNC(C)C | nan | |||
| 688095 | 6360 | 38 | None | 2 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | O[C@H](COc1cccc2c1cc[nH]2)CNC(C)C | nan | |||
| CHEMBL117405 | 6360 | 38 | None | 2 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | O[C@H](COc1cccc2c1cc[nH]2)CNC(C)C | nan | |||
| 155548437 | 346646 | 0 | None | -3 | 2 | Mouse | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 502 | 16 | 3 | 8 | 4.1 | COc1cc(CCNC[C@H](O)COc2cccc3ccccc23)ccc1OCCSSCCN | 10.1016/j.bmc.2019.05.034 | |||
| CHEMBL4537221 | 346646 | 0 | None | -3 | 2 | Mouse | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 502 | 16 | 3 | 8 | 4.1 | COc1cc(CCNC[C@H](O)COc2cccc3ccccc23)ccc1OCCSSCCN | 10.1016/j.bmc.2019.05.034 | |||
| 2176 | 6361 | 47 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 10.1016/j.bmcl.2007.07.086 | |||
| 4828 | 6361 | 47 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 10.1016/j.bmcl.2007.07.086 | |||
| 91 | 6361 | 47 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 10.1016/j.bmcl.2007.07.086 | |||
| CHEMBL500 | 6361 | 47 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 10.1016/j.bmcl.2007.07.086 | |||
| DB00960 | 6361 | 47 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 10.1016/j.bmcl.2007.07.086 | |||
| 2176 | 6361 | 47 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | nan | |||
| 4828 | 6361 | 47 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | nan | |||
| 91 | 6361 | 47 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | nan | |||
| CHEMBL500 | 6361 | 47 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | nan | |||
| DB00960 | 6361 | 47 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | nan | |||
| 118710940 | 232778 | 0 | None | -1 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 398 | 7 | 4 | 5 | 3.7 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@@H]3CCc3ccccc3)c2s1 | 10.1016/j.bmcl.2014.06.014 | |||
| CHEMBL3323658 | 232778 | 0 | None | -1 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 398 | 7 | 4 | 5 | 3.7 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@@H]3CCc3ccccc3)c2s1 | 10.1016/j.bmcl.2014.06.014 | |||
| 2585 | 1662 | 62 | None | -6 | 22 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1016/j.ejmech.2008.05.019 | |||
| 522 | 1662 | 62 | None | -6 | 22 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1016/j.ejmech.2008.05.019 | |||
| 551 | 1662 | 62 | None | -6 | 22 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1016/j.ejmech.2008.05.019 | |||
| CHEMBL723 | 1662 | 62 | None | -6 | 22 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1016/j.ejmech.2008.05.019 | |||
| DB01136 | 1662 | 62 | None | -6 | 22 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1016/j.ejmech.2008.05.019 | |||
| 49864395 | 39527 | 0 | None | -1 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 400 | 7 | 4 | 6 | 3.1 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@H]3OCc3ccccc3)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
| CHEMBL1221680 | 39527 | 0 | None | -1 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 400 | 7 | 4 | 6 | 3.1 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@H]3OCc3ccccc3)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
| 46889812 | 20786 | 0 | None | -10 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 415 | 7 | 2 | 4 | 4.4 | OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(Cc2cccnc2)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL1082501 | 20786 | 0 | None | -10 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 415 | 7 | 2 | 4 | 4.4 | OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(Cc2cccnc2)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| 155525244 | 335539 | 0 | None | -15 | 2 | Mouse | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 516 | 17 | 3 | 8 | 4.5 | COc1cc(CCNC[C@H](O)COc2cccc3ccccc23)ccc1OCCCSSCCN | 10.1016/j.bmc.2019.05.034 | |||
| CHEMBL4456301 | 335539 | 0 | None | -15 | 2 | Mouse | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 516 | 17 | 3 | 8 | 4.5 | COc1cc(CCNC[C@H](O)COc2cccc3ccccc23)ccc1OCCCSSCCN | 10.1016/j.bmc.2019.05.034 | |||
| 2303 | 6476 | 48 | None | -3 | 19 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
| 4946 | 6476 | 48 | None | -3 | 19 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
| 564 | 6476 | 48 | None | -3 | 19 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
| 63 | 6476 | 48 | None | -3 | 19 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
| 91536 | 6476 | 48 | None | -3 | 19 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
| CHEMBL27 | 6476 | 48 | None | -3 | 19 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
| CHEMBL452861 | 6476 | 48 | None | -3 | 19 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
| DB00571 | 6476 | 48 | None | -3 | 19 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
| 2685 | 1837 | 22 | None | -1 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1016/j.bmc.2019.05.034 | |||
| 541 | 1837 | 22 | None | -1 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1016/j.bmc.2019.05.034 | |||
| CHEMBL280822 | 1837 | 22 | None | -1 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1016/j.bmc.2019.05.034 | |||
| 2303 | 6476 | 48 | None | -3 | 19 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2013.01.025 | |||
| 4946 | 6476 | 48 | None | -3 | 19 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2013.01.025 | |||
| 564 | 6476 | 48 | None | -3 | 19 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2013.01.025 | |||
| 63 | 6476 | 48 | None | -3 | 19 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2013.01.025 | |||
| 91536 | 6476 | 48 | None | -3 | 19 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2013.01.025 | |||
| CHEMBL27 | 6476 | 48 | None | -3 | 19 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2013.01.025 | |||
| CHEMBL452861 | 6476 | 48 | None | -3 | 19 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2013.01.025 | |||
| DB00571 | 6476 | 48 | None | -3 | 19 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2013.01.025 | |||
| 49864380 | 39524 | 0 | None | 1 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 380 | 5 | 4 | 5 | 3.8 | C[C@@H](NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)c1ccc2ccccc2c1 | 10.1016/j.bmcl.2010.06.136 | |||
| CHEMBL1221637 | 39524 | 0 | None | 1 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 380 | 5 | 4 | 5 | 3.8 | C[C@@H](NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)c1ccc2ccccc2c1 | 10.1016/j.bmcl.2010.06.136 | |||
| 2303 | 6476 | 48 | None | -3 | 19 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2019.05.034 | |||
| 4946 | 6476 | 48 | None | -3 | 19 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2019.05.034 | |||
| 564 | 6476 | 48 | None | -3 | 19 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2019.05.034 | |||
| 63 | 6476 | 48 | None | -3 | 19 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2019.05.034 | |||
| 91536 | 6476 | 48 | None | -3 | 19 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2019.05.034 | |||
| CHEMBL27 | 6476 | 48 | None | -3 | 19 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2019.05.034 | |||
| CHEMBL452861 | 6476 | 48 | None | -3 | 19 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2019.05.034 | |||
| DB00571 | 6476 | 48 | None | -3 | 19 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2019.05.034 | |||
| 2685 | 1837 | 22 | None | 1 | 6 | Mouse | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1016/j.bmc.2019.05.034 | |||
| 541 | 1837 | 22 | None | 1 | 6 | Mouse | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1016/j.bmc.2019.05.034 | |||
| CHEMBL280822 | 1837 | 22 | None | 1 | 6 | Mouse | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1016/j.bmc.2019.05.034 | |||
| 10075766 | 200580 | 0 | None | None | None | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 532 | 11 | 5 | 8 | 0.2 | NS(=O)(=O)c1cc(S(=O)(=O)NCCNCC(O)COc2cccc3c2CCC(=O)N3)ccc1Cl | 10.1021/jm00053a020 | |||
| CHEMBL290313 | 200580 | 0 | None | None | None | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 532 | 11 | 5 | 8 | 0.2 | NS(=O)(=O)c1cc(S(=O)(=O)NCCNCC(O)COc2cccc3c2CCC(=O)N3)ccc1Cl | 10.1021/jm00053a020 | |||
| 2303 | 6476 | 48 | None | -3 | 19 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
| 4946 | 6476 | 48 | None | -3 | 19 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
| 564 | 6476 | 48 | None | -3 | 19 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
| 63 | 6476 | 48 | None | -3 | 19 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
| 91536 | 6476 | 48 | None | -3 | 19 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
| CHEMBL27 | 6476 | 48 | None | -3 | 19 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
| CHEMBL452861 | 6476 | 48 | None | -3 | 19 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
| DB00571 | 6476 | 48 | None | -3 | 19 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
| 49864333 | 39504 | 0 | None | -1 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 336 | 5 | 4 | 5 | 2.9 | C[C@@H](NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)C1CCCCC1 | 10.1016/j.bmcl.2010.06.136 | |||
| CHEMBL1221541 | 39504 | 0 | None | -1 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 336 | 5 | 4 | 5 | 2.9 | C[C@@H](NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)C1CCCCC1 | 10.1016/j.bmcl.2010.06.136 | |||
| 33624 | 8322 | 24 | None | -4 | 7 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | nan | |||
| 4061 | 8322 | 24 | None | -4 | 7 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | nan | |||
| 565 | 8322 | 24 | None | -4 | 7 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | nan | |||
| CHEMBL499 | 8322 | 24 | None | -4 | 7 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | nan | |||
| DB00373 | 8322 | 24 | None | -4 | 7 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | nan | |||
| 49864460 | 39541 | 0 | None | 1 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 396 | 7 | 4 | 6 | 3.4 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSc3ccc(Cl)cc3)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
| CHEMBL1221861 | 39541 | 0 | None | 1 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 396 | 7 | 4 | 6 | 3.4 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSc3ccc(Cl)cc3)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
| 11617407 | 39515 | 0 | None | -4 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 358 | 6 | 4 | 5 | 2.9 | CC(C)(Cc1ccccc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 | 10.1016/j.bmcl.2010.06.136 | |||
| CHEMBL1221590 | 39515 | 0 | None | -4 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 358 | 6 | 4 | 5 | 2.9 | CC(C)(Cc1ccccc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 | 10.1016/j.bmcl.2010.06.136 | |||
| 11625619 | 159243 | 0 | None | -3 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 406 | 6 | 4 | 4 | 3.5 | CCc1cc2c(cc1CC)CC(C)(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 | 10.1016/j.bmcl.2012.07.096 | |||
| CHEMBL2088201 | 159243 | 0 | None | -3 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 406 | 6 | 4 | 4 | 3.5 | CCc1cc2c(cc1CC)CC(C)(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 | 10.1016/j.bmcl.2012.07.096 | |||
| 2583 | 470697 | 25 | None | 2 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 292 | 5 | 3 | 4 | 1.7 | CC(C)(C)NCC(O)COc1cccc2c1CCC(=O)N2 | 10.1021/jm00053a020 | |||
| 520 | 470697 | 25 | None | 2 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 292 | 5 | 3 | 4 | 1.7 | CC(C)(C)NCC(O)COc1cccc2c1CCC(=O)N2 | 10.1021/jm00053a020 | |||
| CHEMBL839 | 470697 | 25 | None | 2 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 292 | 5 | 3 | 4 | 1.7 | CC(C)(C)NCC(O)COc1cccc2c1CCC(=O)N2 | 10.1021/jm00053a020 | |||
| DB00521 | 470697 | 25 | None | 2 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 292 | 5 | 3 | 4 | 1.7 | CC(C)(C)NCC(O)COc1cccc2c1CCC(=O)N2 | 10.1021/jm00053a020 | |||
| 145947665 | 332451 | 0 | None | None | None | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 405 | 8 | 2 | 6 | 3.5 | COc1ccccc1CNCC(O)COc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2018.04.038 | |||
| CHEMBL4302144 | 332451 | 0 | None | None | None | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 405 | 8 | 2 | 6 | 3.5 | COc1ccccc1CNCC(O)COc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2018.04.038 | |||
| 52948805 | 41624 | 0 | None | -10 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 502 | 9 | 2 | 7 | 5.5 | CC(C)c1ccccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1258704 | 41624 | 0 | None | -10 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 502 | 9 | 2 | 7 | 5.5 | CC(C)c1ccccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | |||
| 10132882 | 194915 | 0 | None | 1 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 355 | 8 | 2 | 6 | 3.2 | Cc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)cs1 | 10.1016/j.bmcl.2007.06.072 | |||
| CHEMBL251599 | 194915 | 0 | None | 1 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 355 | 8 | 2 | 6 | 3.2 | Cc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)cs1 | 10.1016/j.bmcl.2007.06.072 | |||
| 10201549 | 194916 | 0 | None | None | None | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 409 | 8 | 2 | 6 | 3.9 | O[C@@H](CNCCOc1ccc(-c2csc(C(F)(F)F)n2)cc1)c1cccnc1 | 10.1016/j.bmcl.2007.06.072 | |||
| CHEMBL251600 | 194916 | 0 | None | None | None | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 409 | 8 | 2 | 6 | 3.9 | O[C@@H](CNCCOc1ccc(-c2csc(C(F)(F)F)n2)cc1)c1cccnc1 | 10.1016/j.bmcl.2007.06.072 | |||
| 155519891 | 334947 | 0 | None | -3 | 6 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 249 | 2 | 1 | 4 | 1.9 | COc1cc(OC)c2c(c1)OC[C@@]1(C)NCC[C@@H]21 | 10.1021/acsmedchemlett.9b00225 | |||
| CHEMBL4447975 | 334947 | 0 | None | -3 | 6 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 249 | 2 | 1 | 4 | 1.9 | COc1cc(OC)c2c(c1)OC[C@@]1(C)NCC[C@@H]21 | 10.1021/acsmedchemlett.9b00225 | |||
| 3687256 | 21163 | 5 | None | -12 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 500 | 8 | 1 | 5 | 5.0 | Cc1ccc(C(C)C)c(OCC(O)CN2CCC(CN3C(=O)c4cccc5cccc(c45)C3=O)CC2)c1 | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL1083994 | 21163 | 5 | None | -12 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 500 | 8 | 1 | 5 | 5.0 | Cc1ccc(C(C)C)c(OCC(O)CN2CCC(CN3C(=O)c4cccc5cccc(c45)C3=O)CC2)c1 | 10.1016/j.bmcl.2010.04.009 | |||
| 44444185 | 310783 | 0 | None | -112 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 514 | 13 | 4 | 7 | 3.6 | COc1ccc([C@H](CCc2ccccc2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | |||
| CHEMBL400067 | 310783 | 0 | None | -112 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 514 | 13 | 4 | 7 | 3.6 | COc1ccc([C@H](CCc2ccccc2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | |||
| 681 | 3019 | 53 | None | -44 | 20 | Rat | 5.0 | pKi | = | 5 | Binding | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/jm990599h | |||
| 940 | 3019 | 53 | None | -44 | 20 | Rat | 5.0 | pKi | = | 5 | Binding | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/jm990599h | |||
| 947 | 3019 | 53 | None | -44 | 20 | Rat | 5.0 | pKi | = | 5 | Binding | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/jm990599h | |||
| CHEMBL59 | 3019 | 53 | None | -44 | 20 | Rat | 5.0 | pKi | = | 5 | Binding | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/jm990599h | |||
| DB00988 | 3019 | 53 | None | -44 | 20 | Rat | 5.0 | pKi | = | 5 | Binding | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/jm990599h | |||
| 9892481 | 142479 | 12 | None | -3162 | 2 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 435 | 12 | 6 | 6 | 3.0 | O=CNc1cc([C@@H](O)CNCCc2ccc(NC[C@H](O)c3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | |||
| CHEMBL1940832 | 142479 | 12 | None | -3162 | 2 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 435 | 12 | 6 | 6 | 3.0 | O=CNc1cc([C@@H](O)CNCCc2ccc(NC[C@H](O)c3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | |||
| 59119466 | 221755 | 0 | None | -39 | 2 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 436 | 10 | 5 | 7 | 3.3 | COC(=O)c1ccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1 | 10.1016/j.bmcl.2014.04.069 | |||
| CHEMBL3290996 | 221755 | 0 | None | -39 | 2 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 436 | 10 | 5 | 7 | 3.3 | COC(=O)c1ccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1 | 10.1016/j.bmcl.2014.04.069 | |||
| 72901200 | 238494 | 30 | None | -6918 | 33 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 322 | 7 | 2 | 4 | 3.8 | Cc1ccc2nc(CNCCCOc3ccccc3)cc(O)c2c1 | 10.6019/CHEMBL4507309 | |||
| CHEMBL3480577 | 238494 | 30 | None | -6918 | 33 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 322 | 7 | 2 | 4 | 3.8 | Cc1ccc2nc(CNCCCOc3ccccc3)cc(O)c2c1 | 10.6019/CHEMBL4507309 | |||
| 2247 | 1042 | 63 | None | -95 | 37 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
| 249 | 1042 | 63 | None | -95 | 37 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
| 2603 | 1042 | 63 | None | -95 | 37 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
| CHEMBL296419 | 1042 | 63 | None | -95 | 37 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
| DB00637 | 1042 | 63 | None | -95 | 37 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
| 16735274 | 308873 | 0 | None | -1 | 2 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 267 | 8 | 4 | 4 | 2.7 | CCCCC[C@@H](C)NC[C@H](O)c1cc(O)cc(O)c1 | nan | |||
| CHEMBL4108123 | 308873 | 0 | None | -1 | 2 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 267 | 8 | 4 | 4 | 2.7 | CCCCC[C@@H](C)NC[C@H](O)c1cc(O)cc(O)c1 | nan | |||
| 1786 | 5120 | 49 | None | -1 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | nan | |||
| 4171 | 5120 | 49 | None | -1 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | nan | |||
| 553 | 5120 | 49 | None | -1 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | nan | |||
| CHEMBL13 | 5120 | 49 | None | -1 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | nan | |||
| DB00264 | 5120 | 49 | None | -1 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | nan | |||
| 44424578 | 327610 | 0 | None | -1 | 2 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 253 | 7 | 4 | 4 | 2.3 | CCCC[C@@H](C)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | |||
| CHEMBL425658 | 327610 | 0 | None | -1 | 2 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 253 | 7 | 4 | 4 | 2.3 | CCCC[C@@H](C)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | |||
| 137640201 | 312873 | 2 | None | -8128 | 13 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 362 | 6 | 0 | 2 | 4.3 | O=C1CCc2ccccc2N1CCCN1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | |||
| CHEMBL4072818 | 312873 | 2 | None | -8128 | 13 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 362 | 6 | 0 | 2 | 4.3 | O=C1CCc2ccccc2N1CCCN1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | |||
| 44350012 | 41889 | 0 | None | -6 | 3 | Guinea pig | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 363 | 4 | 3 | 7 | 0.4 | CC1CN=C2C(N3CCNCC3)=NC=CN21.O=C(O)C/C=C\CC(=O)O | 10.1021/jm00099a012 | |||
| CHEMBL126394 | 41889 | 0 | None | -6 | 3 | Guinea pig | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 363 | 4 | 3 | 7 | 0.4 | CC1CN=C2C(N3CCNCC3)=NC=CN21.O=C(O)C/C=C\CC(=O)O | 10.1021/jm00099a012 | |||
| 10464801 | 25493 | 0 | None | 3 | 2 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 174 | 6 | 2 | 4 | 0.4 | CCO/N=C/C(O)CNC(C)C | 10.1021/jm00036a018 | |||
| CHEMBL1178754 | 25493 | 0 | None | 3 | 2 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 174 | 6 | 2 | 4 | 0.4 | CCO/N=C/C(O)CNC(C)C | 10.1021/jm00036a018 | |||
| 145946294 | 332276 | 0 | None | 3 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 302 | 8 | 3 | 5 | 0.3 | CNCC(O)COc1ccc(S(=O)(=O)NC(C)C)cc1 | 10.1021/acs.jmedchem.8b00625 | |||
| CHEMBL4299816 | 332276 | 0 | None | 3 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 302 | 8 | 3 | 5 | 0.3 | CNCC(O)COc1ccc(S(=O)(=O)NC(C)C)cc1 | 10.1021/acs.jmedchem.8b00625 | |||
| 24936882 | 41452 | 0 | None | -52 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 512 | 9 | 4 | 10 | 3.6 | OCc1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5cccs5)c34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1258143 | 41452 | 0 | None | -52 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 512 | 9 | 4 | 10 | 3.6 | OCc1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5cccs5)c34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | |||
| 46889699 | 20978 | 0 | None | -26 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 470 | 8 | 1 | 5 | 4.1 | C=CCc1ccccc1OCC(O)CN1CCC(N2C(=O)c3cccc4cccc(c34)C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL1083364 | 20978 | 0 | None | -26 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 470 | 8 | 1 | 5 | 4.1 | C=CCc1ccccc1OCC(O)CN1CCC(N2C(=O)c3cccc4cccc(c34)C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| 44444195 | 194942 | 0 | None | -87 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 548 | 13 | 4 | 7 | 4.3 | COc1ccc([C@H](CCc2ccc(Cl)cc2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | |||
| CHEMBL251764 | 194942 | 0 | None | -87 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 548 | 13 | 4 | 7 | 4.3 | COc1ccc([C@H](CCc2ccc(Cl)cc2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | |||
| 49864413 | 39533 | 0 | None | -2 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 414 | 7 | 4 | 6 | 3.4 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCCC[C@@H]3OCc3ccccc3)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
| CHEMBL1221733 | 39533 | 0 | None | -2 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 414 | 7 | 4 | 6 | 3.4 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCCC[C@@H]3OCc3ccccc3)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
| 10527469 | 312189 | 3 | None | -48977 | 15 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 448 | 4 | 1 | 7 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccnc54)c3=O)C[C@@H]21 | 10.1021/jm970364a | |||
| CHEMBL40650 | 312189 | 3 | None | -48977 | 15 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 448 | 4 | 1 | 7 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccnc54)c3=O)C[C@@H]21 | 10.1021/jm970364a | |||
| 11647002 | 39528 | 0 | None | -22 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 400 | 7 | 4 | 6 | 3.1 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCC[C@@H]3OCc3ccccc3)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
| CHEMBL1221681 | 39528 | 0 | None | -22 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 400 | 7 | 4 | 6 | 3.1 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCC[C@@H]3OCc3ccccc3)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
| 851833 | 77531 | 52 | None | 1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 230 | 1 | 1 | 2 | 2.4 | Clc1cccc(N2CCNCC2)c1Cl | 10.1021/jm400140q | |||
| CHEMBL1424807 | 77531 | 52 | None | 1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 230 | 1 | 1 | 2 | 2.4 | Clc1cccc(N2CCNCC2)c1Cl | 10.1021/jm400140q | |||
| 10012704 | 25501 | 0 | None | 1 | 2 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 188 | 5 | 2 | 4 | 0.8 | CCO/N=C/C(O)CNC(C)(C)C | 10.1021/jm00036a018 | |||
| CHEMBL1178768 | 25501 | 0 | None | 1 | 2 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 188 | 5 | 2 | 4 | 0.8 | CCO/N=C/C(O)CNC(C)(C)C | 10.1021/jm00036a018 | |||
| 25242459 | 27005 | 0 | None | None | None | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 391 | 7 | 3 | 6 | 2.7 | CC(C)(CO)NCC(O)COc1cccc2c(=O)c3ccc(Cl)cc3oc12 | 10.1016/j.bmc.2008.12.031 | |||
| CHEMBL1187782 | 27005 | 0 | None | None | None | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 391 | 7 | 3 | 6 | 2.7 | CC(C)(CO)NCC(O)COc1cccc2c(=O)c3ccc(Cl)cc3oc12 | 10.1016/j.bmc.2008.12.031 | |||
| 2303 | 6476 | 48 | None | -3 | 19 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.8b00625 | |||
| 4946 | 6476 | 48 | None | -3 | 19 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.8b00625 | |||
| 564 | 6476 | 48 | None | -3 | 19 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.8b00625 | |||
| 63 | 6476 | 48 | None | -3 | 19 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.8b00625 | |||
| 91536 | 6476 | 48 | None | -3 | 19 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.8b00625 | |||
| CHEMBL27 | 6476 | 48 | None | -3 | 19 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.8b00625 | |||
| CHEMBL452861 | 6476 | 48 | None | -3 | 19 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.8b00625 | |||
| DB00571 | 6476 | 48 | None | -3 | 19 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.8b00625 | |||
| 44396532 | 139043 | 0 | None | -3 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 455 | 9 | 4 | 5 | 4.3 | C[C@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | |||
| CHEMBL185836 | 139043 | 0 | None | -3 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 455 | 9 | 4 | 5 | 4.3 | C[C@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | |||
| 72544566 | 183936 | 0 | None | -5 | 5 | Pig | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 375 | 10 | 0 | 6 | 3.1 | COc1ccccc1N1CCN(Cc2cn(CCCCCCF)nn2)CC1 | 10.1016/j.bmcl.2013.09.026 | |||
| CHEMBL2443009 | 183936 | 0 | None | -5 | 5 | Pig | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 375 | 10 | 0 | 6 | 3.1 | COc1ccccc1N1CCN(Cc2cn(CCCCCCF)nn2)CC1 | 10.1016/j.bmcl.2013.09.026 | |||
| 1028 | 599 | 43 | None | -66 | 18 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | |||
| 479 | 599 | 43 | None | -66 | 18 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | |||
| 5816 | 599 | 43 | None | -66 | 18 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | |||
| CHEMBL679 | 599 | 43 | None | -66 | 18 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | |||
| DB00668 | 599 | 43 | None | -66 | 18 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | |||
| 44423644 | 176354 | 0 | None | -13 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 426 | 10 | 2 | 7 | 2.6 | CCOC(=O)COc1ccc(C[C@@H](C)NC[C@@H](O)c2cc(Br)no2)cc1 | 10.1016/j.bmc.2007.01.056 | |||
| CHEMBL226348 | 176354 | 0 | None | -13 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 426 | 10 | 2 | 7 | 2.6 | CCOC(=O)COc1ccc(C[C@@H](C)NC[C@@H](O)c2cc(Br)no2)cc1 | 10.1016/j.bmc.2007.01.056 | |||
| 49864377 | 39521 | 0 | None | -12 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 356 | 4 | 4 | 5 | 3.0 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCCc4ccccc43)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
| CHEMBL1221634 | 39521 | 0 | None | -12 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 356 | 4 | 4 | 5 | 3.0 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCCc4ccccc43)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
| 36811 | 2998 | 34 | None | -109 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | |||
| 535 | 2998 | 34 | None | -109 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | |||
| 937 | 2998 | 34 | None | -109 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | |||
| CHEMBL926 | 2998 | 34 | None | -109 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | |||
| DB00841 | 2998 | 34 | None | -109 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | |||
| 1054 | 3263 | 41 | None | None | None | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | nan | |||
| 59768 | 3263 | 41 | None | None | None | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | nan | |||
| 7178 | 3263 | 41 | None | None | None | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | nan | |||
| CHEMBL768 | 3263 | 41 | None | None | None | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | nan | |||
| DB00187 | 3263 | 41 | None | None | None | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | nan | |||
| 567 | 1496 | 16 | None | -13 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/S0960-894X(97)00266-7 | |||
| 9841972 | 1496 | 16 | None | -13 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/S0960-894X(97)00266-7 | |||
| CHEMBL284782 | 1496 | 16 | None | -13 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/S0960-894X(97)00266-7 | |||
| 567 | 1496 | 16 | None | -13 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/0960-894X(96)00417-9 | |||
| 9841972 | 1496 | 16 | None | -13 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/0960-894X(96)00417-9 | |||
| CHEMBL284782 | 1496 | 16 | None | -13 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/0960-894X(96)00417-9 | |||
| 52948056 | 41389 | 0 | None | -6 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 478 | 8 | 2 | 7 | 4.5 | OC(CNC1CCN(c2ncnc3scc(-c4ccc(F)cc4)c23)CC1)COc1ccccc1 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1257915 | 41389 | 0 | None | -6 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 478 | 8 | 2 | 7 | 4.5 | OC(CNC1CCN(c2ncnc3scc(-c4ccc(F)cc4)c23)CC1)COc1ccccc1 | 10.1016/j.bmcl.2010.08.039 | |||
| 2769774 | 21047 | 18 | None | -16 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 277 | 7 | 1 | 4 | 1.5 | C=CCc1ccccc1OCC(O)CN1CCOCC1 | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL1083667 | 21047 | 18 | None | -16 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 277 | 7 | 1 | 4 | 1.5 | C=CCc1ccccc1OCC(O)CN1CCOCC1 | 10.1016/j.bmcl.2010.04.009 | |||
| 13720717 | 155074 | 0 | None | -3 | 2 | Guinea pig | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 363 | 5 | 3 | 6 | 2.7 | COc1cc(C[C@H]2NCCc3cc(O)c(O)c(F)c32)cc(OC)c1OC | 10.1021/jm00081a007 | |||
| CHEMBL2092996 | 155074 | 0 | None | -3 | 2 | Guinea pig | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 363 | 5 | 3 | 6 | 2.7 | COc1cc(C[C@H]2NCCc3cc(O)c(O)c(F)c32)cc(OC)c1OC | 10.1021/jm00081a007 | |||
| 4080436 | 21048 | 3 | None | -10 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 279 | 6 | 1 | 4 | 1.9 | CC(C)c1ccccc1OCC(O)CN1CCOCC1 | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL1083668 | 21048 | 3 | None | -10 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 279 | 6 | 1 | 4 | 1.9 | CC(C)c1ccccc1OCC(O)CN1CCOCC1 | 10.1016/j.bmcl.2010.04.009 | |||
| 146025802 | 334148 | 0 | None | 1 | 2 | Mouse | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 349 | 10 | 4 | 7 | 1.5 | COc1ccccc1OCCNC[C@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
| CHEMBL4435895 | 334148 | 0 | None | 1 | 2 | Mouse | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 349 | 10 | 4 | 7 | 1.5 | COc1ccccc1OCCNC[C@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
| 559926 | 197330 | 2 | None | None | None | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 255 | 5 | 4 | 5 | 1.2 | CC(C)(C)NCC(O)COc1ccc(O)c(O)c1 | 10.1021/jm00107a027 | |||
| CHEMBL266619 | 197330 | 2 | None | None | None | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 255 | 5 | 4 | 5 | 1.2 | CC(C)(C)NCC(O)COc1ccc(O)c(O)c1 | 10.1021/jm00107a027 | |||
| 44444378 | 194665 | 0 | None | None | None | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 418 | 9 | 2 | 7 | 4.0 | O[C@@H](CNCCOc1ccc(-c2csc(-c3cccnc3)n2)cc1)c1cccnc1 | 10.1016/j.bmcl.2007.06.072 | |||
| CHEMBL250146 | 194665 | 0 | None | None | None | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 418 | 9 | 2 | 7 | 4.0 | O[C@@H](CNCCOc1ccc(-c2csc(-c3cccnc3)n2)cc1)c1cccnc1 | 10.1016/j.bmcl.2007.06.072 | |||
| 72545011 | 183931 | 0 | None | -8 | 5 | Pig | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 411 | 8 | 0 | 7 | 2.9 | COc1ccccc1N1CCN(Cc2cn(-c3ccc(OCCF)cc3)nn2)CC1 | 10.1016/j.bmcl.2013.09.026 | |||
| CHEMBL2443004 | 183931 | 0 | None | -8 | 5 | Pig | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 411 | 8 | 0 | 7 | 2.9 | COc1ccccc1N1CCN(Cc2cn(-c3ccc(OCCF)cc3)nn2)CC1 | 10.1016/j.bmcl.2013.09.026 | |||
| 72545239 | 183933 | 0 | None | -1 | 5 | Pig | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 499 | 14 | 0 | 9 | 3.0 | COc1ccccc1N1CCN(Cc2cn(-c3ccc(OCCOCCOCCF)cc3)nn2)CC1 | 10.1016/j.bmcl.2013.09.026 | |||
| CHEMBL2443006 | 183933 | 0 | None | -1 | 5 | Pig | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 499 | 14 | 0 | 9 | 3.0 | COc1ccccc1N1CCN(Cc2cn(-c3ccc(OCCOCCOCCF)cc3)nn2)CC1 | 10.1016/j.bmcl.2013.09.026 | |||
| 155512924 | 334268 | 0 | None | -1 | 2 | Mouse | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 451 | 14 | 3 | 6 | 4.7 | COc1cc(CCNCCCOc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | |||
| CHEMBL4437939 | 334268 | 0 | None | -1 | 2 | Mouse | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 451 | 14 | 3 | 6 | 4.7 | COc1cc(CCNCCCOc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | |||
| 1028 | 599 | 43 | None | -66 | 18 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00076a024 | |||
| 479 | 599 | 43 | None | -66 | 18 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00076a024 | |||
| 5816 | 599 | 43 | None | -66 | 18 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00076a024 | |||
| CHEMBL679 | 599 | 43 | None | -66 | 18 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00076a024 | |||
| DB00668 | 599 | 43 | None | -66 | 18 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00076a024 | |||
| 49864416 | 39536 | 0 | None | -30 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 376 | 5 | 4 | 5 | 3.7 | O=c1[nH]c2c(O)ccc([C@@H](O)CNC3CCCC3C3CCCCC3)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
| CHEMBL1221736 | 39536 | 0 | None | -30 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 376 | 5 | 4 | 5 | 3.7 | O=c1[nH]c2c(O)ccc([C@@H](O)CNC3CCCC3C3CCCCC3)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
| 9990035 | 26293 | 0 | None | 4 | 2 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 188 | 7 | 2 | 4 | 0.8 | CCCO/N=C/C(O)CNC(C)C | 10.1021/jm00036a018 | |||
| CHEMBL1183337 | 26293 | 0 | None | 4 | 2 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 188 | 7 | 2 | 4 | 0.8 | CCCO/N=C/C(O)CNC(C)C | 10.1021/jm00036a018 | |||
| 44286965 | 316100 | 0 | None | -4 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 349 | 9 | 3 | 4 | 3.0 | C[C@H](Cc1ccc(OCCO)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/S0960-894X(97)00266-7 | |||
| CHEMBL41113 | 316100 | 0 | None | -4 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 349 | 9 | 3 | 4 | 3.0 | C[C@H](Cc1ccc(OCCO)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/S0960-894X(97)00266-7 | |||
| 11178830 | 294814 | 0 | None | -794 | 9 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 467 | 6 | 1 | 5 | 4.5 | Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4F)NC(=O)CO5)CC3)cc(F)cc2n1 | 10.1016/j.bmcl.2006.11.031 | |||
| CHEMBL393539 | 294814 | 0 | None | -794 | 9 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 467 | 6 | 1 | 5 | 4.5 | Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4F)NC(=O)CO5)CC3)cc(F)cc2n1 | 10.1016/j.bmcl.2006.11.031 | |||
| 770558 | 178401 | 39 | None | None | None | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 298 | 1 | 1 | 2 | 3.1 | FC(F)(F)c1cc(N2CCNCC2)cc(C(F)(F)F)c1 | 10.1021/jm400140q | |||
| CHEMBL2335162 | 178401 | 39 | None | None | None | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 298 | 1 | 1 | 2 | 3.1 | FC(F)(F)c1cc(N2CCNCC2)cc(C(F)(F)F)c1 | 10.1021/jm400140q | |||
| 59119467 | 221741 | 0 | None | -39 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 428 | 9 | 5 | 5 | 4.6 | OCc1cc(C(O)CNCCc2ccc(Nc3ccc4ccccc4c3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | |||
| CHEMBL3290983 | 221741 | 0 | None | -39 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 428 | 9 | 5 | 5 | 4.6 | OCc1cc(C(O)CNCCc2ccc(Nc3ccc4ccccc4c3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | |||
| 59119417 | 221745 | 0 | None | -39 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 454 | 10 | 5 | 5 | 5.2 | OCc1cc(C(O)CNCCc2ccc(Nc3ccc(-c4ccccc4)cc3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | |||
| CHEMBL3290987 | 221745 | 0 | None | -39 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 454 | 10 | 5 | 5 | 5.2 | OCc1cc(C(O)CNCCc2ccc(Nc3ccc(-c4ccccc4)cc3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | |||
| 10310564 | 221746 | 0 | None | -39 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 454 | 10 | 5 | 5 | 5.2 | OCc1cc(C(O)CNCCc2ccc(Nc3cccc(-c4ccccc4)c3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | |||
| CHEMBL3290988 | 221746 | 0 | None | -39 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 454 | 10 | 5 | 5 | 5.2 | OCc1cc(C(O)CNCCc2ccc(Nc3cccc(-c4ccccc4)c3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | |||
| 59119455 | 221749 | 0 | None | -19 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 408 | 10 | 5 | 6 | 3.5 | COc1cccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)c1 | 10.1016/j.bmcl.2014.04.069 | |||
| CHEMBL3290990 | 221749 | 0 | None | -19 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 408 | 10 | 5 | 6 | 3.5 | COc1cccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)c1 | 10.1016/j.bmcl.2014.04.069 | |||
| 1960 | 5823 | 49 | None | -144 | 26 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00084a006 | |||
| 439260 | 5823 | 49 | None | -144 | 26 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00084a006 | |||
| 505 | 5823 | 49 | None | -144 | 26 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00084a006 | |||
| 6921840 | 5823 | 49 | None | -144 | 26 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00084a006 | |||
| CHEMBL1437 | 5823 | 49 | None | -144 | 26 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00084a006 | |||
| DB00368 | 5823 | 49 | None | -144 | 26 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00084a006 | |||
| 1960 | 5823 | 49 | None | -144 | 26 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00073a006 | |||
| 439260 | 5823 | 49 | None | -144 | 26 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00073a006 | |||
| 505 | 5823 | 49 | None | -144 | 26 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00073a006 | |||
| 6921840 | 5823 | 49 | None | -144 | 26 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00073a006 | |||
| CHEMBL1437 | 5823 | 49 | None | -144 | 26 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00073a006 | |||
| DB00368 | 5823 | 49 | None | -144 | 26 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00073a006 | |||
| 3054 | 315981 | 60 | None | -50 | 25 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | nan | |||
| 448537 | 315981 | 60 | None | -50 | 25 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | nan | |||
| 875 | 315981 | 60 | None | -50 | 25 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | nan | |||
| CHEMBL411 | 315981 | 60 | None | -50 | 25 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | nan | |||
| DB00255 | 315981 | 60 | None | -50 | 25 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | nan | |||
| 24936492 | 41419 | 0 | None | -4 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 482 | 8 | 3 | 9 | 4.1 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5cccs5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1258026 | 41419 | 0 | None | -4 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 482 | 8 | 3 | 9 | 4.1 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5cccs5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | |||
| 46889853 | 20863 | 0 | None | -64 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 458 | 8 | 2 | 5 | 4.7 | COc1ccc(C(=O)C2CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1 | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL1082828 | 20863 | 0 | None | -64 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 458 | 8 | 2 | 5 | 4.7 | COc1ccc(C(=O)C2CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1 | 10.1016/j.bmcl.2010.04.009 | |||
| 118710949 | 232789 | 0 | None | -3 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 402 | 10 | 4 | 6 | 3.3 | CCCCOc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2014.06.014 | |||
| CHEMBL3323669 | 232789 | 0 | None | -3 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 402 | 10 | 4 | 6 | 3.3 | CCCCOc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2014.06.014 | |||
| 10352428 | 201239 | 1 | None | -1 | 4 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NC[C@H](O)c1ccc(O)c(O)c1F | 10.1021/jm990599h | |||
| CHEMBL295072 | 201239 | 1 | None | -1 | 4 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NC[C@H](O)c1ccc(O)c(O)c1F | 10.1021/jm990599h | |||
| 10136220 | 310844 | 0 | None | None | None | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 409 | 9 | 2 | 6 | 4.6 | O[C@@H](CNCCOc1ccc(-c2csc(C3CCCC3)n2)cc1)c1cccnc1 | 10.1016/j.bmcl.2007.06.072 | |||
| CHEMBL400392 | 310844 | 0 | None | None | None | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 409 | 9 | 2 | 6 | 4.6 | O[C@@H](CNCCOc1ccc(-c2csc(C3CCCC3)n2)cc1)c1cccnc1 | 10.1016/j.bmcl.2007.06.072 | |||
| 72545238 | 183932 | 0 | None | -25 | 5 | Pig | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 425 | 9 | 0 | 7 | 3.3 | COc1ccccc1N1CCN(Cc2cn(-c3ccc(OCCCF)cc3)nn2)CC1 | 10.1016/j.bmcl.2013.09.026 | |||
| CHEMBL2443005 | 183932 | 0 | None | -25 | 5 | Pig | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 425 | 9 | 0 | 7 | 3.3 | COc1ccccc1N1CCN(Cc2cn(-c3ccc(OCCCF)cc3)nn2)CC1 | 10.1016/j.bmcl.2013.09.026 | |||
| 1960 | 5823 | 49 | None | -144 | 26 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | |||
| 439260 | 5823 | 49 | None | -144 | 26 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | |||
| 505 | 5823 | 49 | None | -144 | 26 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | |||
| 6921840 | 5823 | 49 | None | -144 | 26 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | |||
| CHEMBL1437 | 5823 | 49 | None | -144 | 26 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | |||
| DB00368 | 5823 | 49 | None | -144 | 26 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | |||
| 9821129 | 469345 | 0 | None | -1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 378 | 12 | 3 | 6 | 2.5 | C[C@H](Cc1ncc(CCCC(=O)O)s1)NC[C@H](O)COc1ccccc1 | 10.1016/0960-894X(96)00417-9 | |||
| CHEMBL72169 | 469345 | 0 | None | -1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 378 | 12 | 3 | 6 | 2.5 | C[C@H](Cc1ncc(CCCC(=O)O)s1)NC[C@H](O)COc1ccccc1 | 10.1016/0960-894X(96)00417-9 | |||
| 72545008 | 183928 | 0 | None | -1 | 5 | Pig | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 451 | 15 | 0 | 9 | 1.6 | COc1ccccc1N1CCN(Cc2cn(CCOCCOCCOCCF)nn2)CC1 | 10.1016/j.bmcl.2013.09.026 | |||
| CHEMBL2443001 | 183928 | 0 | None | -1 | 5 | Pig | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 451 | 15 | 0 | 9 | 1.6 | COc1ccccc1N1CCN(Cc2cn(CCOCCOCCOCCF)nn2)CC1 | 10.1016/j.bmcl.2013.09.026 | |||
| 247704 | 598 | 33 | None | -12 | 5 | Rat | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | |||
| 4450 | 598 | 33 | None | -12 | 5 | Rat | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | |||
| CHEMBL42280 | 598 | 33 | None | -12 | 5 | Rat | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | |||
| 155515982 | 334571 | 1 | None | -51286 | 17 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 473 | 10 | 2 | 5 | 4.1 | COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccccc2)CC1 | 10.1021/acs.jmedchem.9b01085 | |||
| CHEMBL4442460 | 334571 | 1 | None | -51286 | 17 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 473 | 10 | 2 | 5 | 4.1 | COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccccc2)CC1 | 10.1021/acs.jmedchem.9b01085 | |||
| 2146 | 6309 | 49 | None | -3 | 10 | Rat | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1021/jm00076a024 | |||
| 485 | 6309 | 49 | None | -3 | 10 | Rat | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1021/jm00076a024 | |||
| 6041 | 6309 | 49 | None | -3 | 10 | Rat | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1021/jm00076a024 | |||
| CHEMBL1215 | 6309 | 49 | None | -3 | 10 | Rat | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1021/jm00076a024 | |||
| DB00388 | 6309 | 49 | None | -3 | 10 | Rat | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1021/jm00076a024 | |||
| 11188590 | 159244 | 0 | None | -1 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 394 | 6 | 4 | 4 | 4.2 | CCC1=C(CC)CC2=C(C1)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 | 10.1016/j.bmcl.2012.07.096 | |||
| CHEMBL2088202 | 159244 | 0 | None | -1 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 394 | 6 | 4 | 4 | 4.2 | CCC1=C(CC)CC2=C(C1)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 | 10.1016/j.bmcl.2012.07.096 | |||
| 7096 | 474369 | 65 | None | -21 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 162 | 1 | 1 | 2 | 1.1 | c1ccc(N2CCNCC2)cc1 | 10.1021/jm400140q | |||
| CHEMBL9434 | 474369 | 65 | None | -21 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 162 | 1 | 1 | 2 | 1.1 | c1ccc(N2CCNCC2)cc1 | 10.1021/jm400140q | |||
| 145946710 | 332328 | 0 | None | -2 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 316 | 7 | 3 | 5 | 0.7 | CNCC(O)COc1ccc(S(=O)(=O)NC(C)(C)C)cc1 | 10.1021/acs.jmedchem.8b00625 | |||
| CHEMBL4300393 | 332328 | 0 | None | -2 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 316 | 7 | 3 | 5 | 0.7 | CNCC(O)COc1ccc(S(=O)(=O)NC(C)(C)C)cc1 | 10.1021/acs.jmedchem.8b00625 | |||
| 4143663 | 21221 | 13 | None | -1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 514 | 10 | 1 | 6 | 4.3 | C=CCc1ccc(OCC(O)CN2CCC(CN3C(=O)c4cccc5cccc(c45)C3=O)CC2)c(OC)c1 | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL1084274 | 21221 | 13 | None | -1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 514 | 10 | 1 | 6 | 4.3 | C=CCc1ccc(OCC(O)CN2CCC(CN3C(=O)c4cccc5cccc(c45)C3=O)CC2)c(OC)c1 | 10.1016/j.bmcl.2010.04.009 | |||
| 31101 | 1504 | 27 | None | -32 | 28 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | |||
| 35 | 1504 | 27 | None | -32 | 28 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | |||
| 403 | 1504 | 27 | None | -32 | 28 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | |||
| CHEMBL493 | 1504 | 27 | None | -32 | 28 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | |||
| DB01200 | 1504 | 27 | None | -32 | 28 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | |||
| 46889810 | 21736 | 0 | None | -28 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 414 | 7 | 2 | 3 | 5.0 | OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(Cc2ccccc2)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL1086542 | 21736 | 0 | None | -28 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 414 | 7 | 2 | 3 | 5.0 | OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(Cc2ccccc2)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| 44328703 | 24527 | 0 | None | -1 | 2 | Mouse | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 241 | 6 | 4 | 5 | 0.8 | CC(C)NC[C@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
| CHEMBL1160694 | 24527 | 0 | None | -1 | 2 | Mouse | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 241 | 6 | 4 | 5 | 0.8 | CC(C)NC[C@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
| 154 | 4804 | 8 | None | -16 | 23 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 10.1021/jm020153s | |||
| 1621 | 4804 | 8 | None | -16 | 23 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 10.1021/jm020153s | |||
| 17 | 4804 | 8 | None | -16 | 23 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 10.1021/jm020153s | |||
| 5761 | 4804 | 8 | None | -16 | 23 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 10.1021/jm020153s | |||
| 638252 | 4804 | 8 | None | -16 | 23 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 10.1021/jm020153s | |||
| CHEMBL263881 | 4804 | 8 | None | -16 | 23 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 10.1021/jm020153s | |||
| DB04829 | 4804 | 8 | None | -16 | 23 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 10.1021/jm020153s | |||
| 10291064 | 194886 | 0 | None | -14 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 341 | 8 | 2 | 6 | 2.9 | O[C@@H](CNCCOc1ccc(-c2cscn2)cc1)c1cccnc1 | 10.1016/j.bmcl.2007.06.072 | |||
| CHEMBL251392 | 194886 | 0 | None | -14 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 341 | 8 | 2 | 6 | 2.9 | O[C@@H](CNCCOc1ccc(-c2cscn2)cc1)c1cccnc1 | 10.1016/j.bmcl.2007.06.072 | |||
| 10436455 | 311850 | 0 | None | None | None | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 512 | 7 | 3 | 8 | 1.6 | NS(=O)(=O)c1cc(N2CCN(CC(O)COc3cccc4c3SCC(=O)N4)CC2)ccc1Cl | 10.1021/jm00053a020 | |||
| CHEMBL40609 | 311850 | 0 | None | None | None | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 512 | 7 | 3 | 8 | 1.6 | NS(=O)(=O)c1cc(N2CCN(CC(O)COc3cccc4c3SCC(=O)N4)CC2)ccc1Cl | 10.1021/jm00053a020 | |||
| 52946430 | 41693 | 0 | None | -4 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 517 | 9 | 3 | 8 | 3.7 | CNC(=O)c1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1258940 | 41693 | 0 | None | -4 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 517 | 9 | 3 | 8 | 3.7 | CNC(=O)c1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | |||
| 25266786 | 355543 | 0 | None | None | None | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 356 | 10 | 3 | 5 | 2.6 | COc1ccccc1OCCNC[C@@H](O)COc1cccc2[nH]ccc12 | 10.1016/j.ejmech.2008.05.019 | |||
| CHEMBL477672 | 355543 | 0 | None | None | None | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 356 | 10 | 3 | 5 | 2.6 | COc1ccccc1OCCNC[C@@H](O)COc1cccc2[nH]ccc12 | 10.1016/j.ejmech.2008.05.019 | |||
| 4376990 | 385554 | 6 | None | -588 | 11 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 372 | 4 | 2 | 4 | 4.1 | COc1cc(OC)c(C2NCCc3c2[nH]c2ccc(Cl)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | |||
| CHEMBL5222754 | 385554 | 6 | None | -588 | 11 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 372 | 4 | 2 | 4 | 4.1 | COc1cc(OC)c(C2NCCc3c2[nH]c2ccc(Cl)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | |||
| 688468 | 270650 | 5 | None | -398 | 2 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | nan | |||
| CHEMBL388570 | 270650 | 5 | None | -398 | 2 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | nan | |||
| 11819522 | 26288 | 0 | None | 4 | 2 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 174 | 6 | 2 | 4 | 0.4 | C/C=N/OCC(O)CNC(C)C | 10.1021/jm00036a018 | |||
| CHEMBL1183318 | 26288 | 0 | None | 4 | 2 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 174 | 6 | 2 | 4 | 0.4 | C/C=N/OCC(O)CNC(C)C | 10.1021/jm00036a018 | |||
| 24937014 | 41280 | 0 | None | -58 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 506 | 9 | 4 | 9 | 3.6 | OCc1cc(O)ccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1257554 | 41280 | 0 | None | -58 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 506 | 9 | 4 | 9 | 3.6 | OCc1cc(O)ccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | |||
| 688468 | 270650 | 5 | None | -398 | 2 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | |||
| CHEMBL388570 | 270650 | 5 | None | -398 | 2 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | |||
| 56677231 | 135976 | 0 | None | -234 | 2 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 367 | 7 | 4 | 5 | 3.5 | COc1ccc(C[C@H](C)NC[C@H](O)c2cc(O)cc(O)c2)c2ccccc12 | 10.1016/j.bmc.2009.11.062 | |||
| CHEMBL1800934 | 135976 | 0 | None | -234 | 2 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 367 | 7 | 4 | 5 | 3.5 | COc1ccc(C[C@H](C)NC[C@H](O)c2cc(O)cc(O)c2)c2ccccc12 | 10.1016/j.bmc.2009.11.062 | |||
| 12828562 | 219267 | 0 | None | 3 | 2 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 237 | 3 | 3 | 4 | 1.7 | CC(C)NCC1OCCc2cc(O)c(O)cc21 | 10.1021/jm00073a006 | |||
| CHEMBL322842 | 219267 | 0 | None | 3 | 2 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 237 | 3 | 3 | 4 | 1.7 | CC(C)NCC1OCCc2cc(O)c(O)cc21 | 10.1021/jm00073a006 | |||
| 2810 | 139881 | 42 | None | -1 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 213 | 4 | 2 | 2 | 2.4 | CC(C)NCC(O)c1ccccc1Cl | nan | |||
| 714 | 139881 | 42 | None | -1 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 213 | 4 | 2 | 2 | 2.4 | CC(C)NCC(O)c1ccccc1Cl | nan | |||
| CHEMBL1902627 | 139881 | 42 | None | -1 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 213 | 4 | 2 | 2 | 2.4 | CC(C)NCC(O)c1ccccc1Cl | nan | |||
| 2303 | 6476 | 48 | None | -27 | 19 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.ejmech.2018.01.093 | |||
| 4946 | 6476 | 48 | None | -27 | 19 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.ejmech.2018.01.093 | |||
| 564 | 6476 | 48 | None | -27 | 19 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.ejmech.2018.01.093 | |||
| 63 | 6476 | 48 | None | -27 | 19 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.ejmech.2018.01.093 | |||
| 91536 | 6476 | 48 | None | -27 | 19 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.ejmech.2018.01.093 | |||
| CHEMBL27 | 6476 | 48 | None | -27 | 19 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.ejmech.2018.01.093 | |||
| CHEMBL452861 | 6476 | 48 | None | -27 | 19 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.ejmech.2018.01.093 | |||
| DB00571 | 6476 | 48 | None | -27 | 19 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.ejmech.2018.01.093 | |||
| 49864379 | 39523 | 0 | None | -8 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 358 | 8 | 4 | 5 | 2.9 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCCc3ccccc3)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
| CHEMBL1221636 | 39523 | 0 | None | -8 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 358 | 8 | 4 | 5 | 2.9 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCCc3ccccc3)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
| 10049403 | 311280 | 0 | None | None | None | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 449 | 10 | 4 | 6 | 2.6 | NS(=O)(=O)c1cc(NCCNCC(O)COc2cccc3ccccc23)ccc1Cl | 10.1021/jm00053a020 | |||
| CHEMBL40297 | 311280 | 0 | None | None | None | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 449 | 10 | 4 | 6 | 2.6 | NS(=O)(=O)c1cc(NCCNCC(O)COc2cccc3ccccc23)ccc1Cl | 10.1021/jm00053a020 | |||
| 10082625 | 28042 | 0 | None | 1 | 3 | Guinea pig | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 231 | 1 | 1 | 5 | 0.8 | Cc1cn2c(C)cnc2c(N2CCNCC2)n1 | 10.1021/jm00099a012 | |||
| CHEMBL1195526 | 28042 | 0 | None | 1 | 3 | Guinea pig | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 231 | 1 | 1 | 5 | 0.8 | Cc1cn2c(C)cnc2c(N2CCNCC2)n1 | 10.1021/jm00099a012 | |||
| 2249 | 1058 | 67 | None | 1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1016/j.ejmech.2013.01.044 | |||
| 255 | 1058 | 67 | None | 1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1016/j.ejmech.2013.01.044 | |||
| 548 | 1058 | 67 | None | 1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1016/j.ejmech.2013.01.044 | |||
| CHEMBL24 | 1058 | 67 | None | 1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1016/j.ejmech.2013.01.044 | |||
| DB00335 | 1058 | 67 | None | 1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1016/j.ejmech.2013.01.044 | |||
| 52943919 | 41590 | 0 | None | -25 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 500 | 10 | 2 | 7 | 5.1 | C=CCc1ccccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1258597 | 41590 | 0 | None | -25 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 500 | 10 | 2 | 7 | 5.1 | C=CCc1ccccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | |||
| 10273469 | 194664 | 0 | None | 3 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 417 | 9 | 2 | 6 | 4.6 | O[C@@H](CNCCOc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1cccnc1 | 10.1016/j.bmcl.2007.06.072 | |||
| CHEMBL250144 | 194664 | 0 | None | 3 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 417 | 9 | 2 | 6 | 4.6 | O[C@@H](CNCCOc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1cccnc1 | 10.1016/j.bmcl.2007.06.072 | |||
| 155521165 | 335108 | 0 | None | 14 | 2 | Mouse | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 600 | 17 | 3 | 10 | 4.4 | COc1cc(CCNC[C@H](O)COc2ccc(-c3nc(C(F)(F)F)cn3C)cc2)ccc1OCCSSCCN | 10.1016/j.bmc.2019.05.034 | |||
| CHEMBL4450085 | 335108 | 0 | None | 14 | 2 | Mouse | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 600 | 17 | 3 | 10 | 4.4 | COc1cc(CCNC[C@H](O)COc2ccc(-c3nc(C(F)(F)F)cn3C)cc2)ccc1OCCSSCCN | 10.1016/j.bmc.2019.05.034 | |||
| 127046949 | 277209 | 0 | None | -23 | 6 | Mouse | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 472 | 12 | 3 | 5 | 4.6 | COc1cc(CCNCCc2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | |||
| CHEMBL3799455 | 277209 | 0 | None | -23 | 6 | Mouse | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 472 | 12 | 3 | 5 | 4.6 | COc1cc(CCNCCc2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | |||
| 14708665 | 193602 | 18 | None | -117 | 11 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 267 | 0 | 3 | 3 | 2.6 | Oc1cc2c(cc1O)[C@H]1c3ccccc3CN[C@@H]1CC2 | 10.1021/jm00018a002 | |||
| 6603820 | 193602 | 18 | None | -117 | 11 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 267 | 0 | 3 | 3 | 2.6 | Oc1cc2c(cc1O)[C@H]1c3ccccc3CN[C@@H]1CC2 | 10.1021/jm00018a002 | |||
| CHEMBL25856 | 193602 | 18 | None | -117 | 11 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 267 | 0 | 3 | 3 | 2.6 | Oc1cc2c(cc1O)[C@H]1c3ccccc3CN[C@@H]1CC2 | 10.1021/jm00018a002 | |||
| CHEMBL43345 | 193602 | 18 | None | -117 | 11 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 267 | 0 | 3 | 3 | 2.6 | Oc1cc2c(cc1O)[C@H]1c3ccccc3CN[C@@H]1CC2 | 10.1021/jm00018a002 | |||
| DB16139 | 193602 | 18 | None | -117 | 11 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 267 | 0 | 3 | 3 | 2.6 | Oc1cc2c(cc1O)[C@H]1c3ccccc3CN[C@@H]1CC2 | 10.1021/jm00018a002 | |||
| 44444179 | 194555 | 0 | None | -39 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 508 | 10 | 4 | 5 | 4.5 | CS(=O)(=O)Nc1cc(C[C@H](O)CN[C@H](Cc2ccccc2)c2ccc(Cl)c(Cl)c2)ccc1O | 10.1016/j.bmcl.2007.05.030 | |||
| CHEMBL249359 | 194555 | 0 | None | -39 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 508 | 10 | 4 | 5 | 4.5 | CS(=O)(=O)Nc1cc(C[C@H](O)CN[C@H](Cc2ccccc2)c2ccc(Cl)c(Cl)c2)ccc1O | 10.1016/j.bmcl.2007.05.030 | |||
| 127047221 | 277230 | 0 | None | -6 | 6 | Mouse | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 319 | 8 | 4 | 6 | 1.8 | COc1ccccc1OCCNC[C@@H](O)c1ccc(O)c(O)c1 | 10.1016/j.bmc.2016.04.028 | |||
| CHEMBL3799593 | 277230 | 0 | None | -6 | 6 | Mouse | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 319 | 8 | 4 | 6 | 1.8 | COc1ccccc1OCCNC[C@@H](O)c1ccc(O)c(O)c1 | 10.1016/j.bmc.2016.04.028 | |||
| 594115 | 43230 | 0 | None | 3 | 2 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NCC(O)c1cc(O)c(O)c(F)c1 | 10.1021/jm00076a024 | |||
| CHEMBL129190 | 43230 | 0 | None | 3 | 2 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NCC(O)c1cc(O)c(O)c(F)c1 | 10.1021/jm00076a024 | |||
| 3042920 | 469875 | 7 | None | -1 | 2 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 195 | 1 | 3 | 4 | 0.8 | Oc1ccc(C2CNCCO2)cc1O | 10.1021/jm00084a006 | |||
| CHEMBL7681 | 469875 | 7 | None | -1 | 2 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 195 | 1 | 3 | 4 | 0.8 | Oc1ccc(C2CNCCO2)cc1O | 10.1021/jm00084a006 | |||
| 49864414 | 39534 | 0 | None | -37 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 362 | 4 | 4 | 5 | 3.1 | CC1(C)[C@@H]2CC[C@]1(C)[C@@H](NC[C@H](O)c1ccc(O)c3[nH]c(=O)sc13)C2 | 10.1016/j.bmcl.2010.06.136 | |||
| CHEMBL1221734 | 39534 | 0 | None | -37 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 362 | 4 | 4 | 5 | 3.1 | CC1(C)[C@@H]2CC[C@]1(C)[C@@H](NC[C@H](O)c1ccc(O)c3[nH]c(=O)sc13)C2 | 10.1016/j.bmcl.2010.06.136 | |||
| 2249 | 1058 | 67 | None | 1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/acs.jmedchem.8b00625 | |||
| 255 | 1058 | 67 | None | 1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/acs.jmedchem.8b00625 | |||
| 548 | 1058 | 67 | None | 1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/acs.jmedchem.8b00625 | |||
| CHEMBL24 | 1058 | 67 | None | 1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/acs.jmedchem.8b00625 | |||
| DB00335 | 1058 | 67 | None | 1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/acs.jmedchem.8b00625 | |||
| 145946991 | 332380 | 0 | None | 1 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 330 | 9 | 3 | 5 | 1.0 | CNCC(O)COc1ccc(S(=O)(=O)NC(C)C(C)C)cc1 | 10.1021/acs.jmedchem.8b00625 | |||
| CHEMBL4301131 | 332380 | 0 | None | 1 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 330 | 9 | 3 | 5 | 1.0 | CNCC(O)COc1ccc(S(=O)(=O)NC(C)C(C)C)cc1 | 10.1021/acs.jmedchem.8b00625 | |||
| 44444393 | 331237 | 0 | None | None | None | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 353 | 8 | 2 | 6 | 3.1 | Cc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)c(C)o1 | 10.1016/j.bmcl.2007.06.072 | |||
| CHEMBL427711 | 331237 | 0 | None | None | None | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 353 | 8 | 2 | 6 | 3.1 | Cc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)c(C)o1 | 10.1016/j.bmcl.2007.06.072 | |||
| 145947060 | 332387 | 0 | None | None | None | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 431 | 6 | 1 | 7 | 2.9 | O=c1c2ccccc2oc2cc(OCC(O)CN3CCN(c4ccccn4)CC3)ccc12 | 10.1016/j.bmc.2018.04.038 | |||
| CHEMBL4301323 | 332387 | 0 | None | None | None | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 431 | 6 | 1 | 7 | 2.9 | O=c1c2ccccc2oc2cc(OCC(O)CN3CCN(c4ccccn4)CC3)ccc12 | 10.1016/j.bmc.2018.04.038 | |||
| 16735272 | 176730 | 0 | None | -46 | 2 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1 | nan | |||
| CHEMBL229614 | 176730 | 0 | None | -46 | 2 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1 | nan | |||
| 16735272 | 176730 | 0 | None | -46 | 2 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | |||
| CHEMBL229614 | 176730 | 0 | None | -46 | 2 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | |||
| 1499 | 4274 | 42 | None | -64 | 12 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm990012z | |||
| 3779 | 4274 | 42 | None | -64 | 12 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm990012z | |||
| 536 | 4274 | 42 | None | -64 | 12 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm990012z | |||
| CHEMBL434 | 4274 | 42 | None | -64 | 12 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm990012z | |||
| DB01064 | 4274 | 42 | None | -64 | 12 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm990012z | |||
| 44439167 | 181378 | 0 | None | -158 | 10 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 483 | 6 | 1 | 5 | 5.0 | Cc1ccc2c(OCCN3CCC(Cc4cc(F)c5c(c4)NC(=O)CO5)CC3)cc(Cl)cc2n1 | 10.1016/j.bmcl.2006.11.031 | |||
| CHEMBL238732 | 181378 | 0 | None | -158 | 10 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 483 | 6 | 1 | 5 | 5.0 | Cc1ccc2c(OCCN3CCC(Cc4cc(F)c5c(c4)NC(=O)CO5)CC3)cc(Cl)cc2n1 | 10.1016/j.bmcl.2006.11.031 | |||
| 2736205 | 178402 | 40 | None | None | None | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 222 | 3 | 1 | 4 | 1.1 | COc1cc(OC)cc(N2CCNCC2)c1 | 10.1021/jm400140q | |||
| CHEMBL2335163 | 178402 | 40 | None | None | None | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 222 | 3 | 1 | 4 | 1.1 | COc1cc(OC)cc(N2CCNCC2)c1 | 10.1021/jm400140q | |||
| 702318 | 178404 | 55 | None | None | None | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 227 | 1 | 1 | 3 | 2.0 | Cc1cc(N2CCNCC2)c2ccccc2n1 | 10.1021/jm400140q | |||
| CHEMBL2335165 | 178404 | 55 | None | None | None | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 227 | 1 | 1 | 3 | 2.0 | Cc1cc(N2CCNCC2)c2ccccc2n1 | 10.1021/jm400140q | |||
| 59119410 | 221752 | 0 | None | -158 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 436 | 11 | 5 | 6 | 4.3 | CC(C)Oc1ccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1 | 10.1016/j.bmcl.2014.04.069 | |||
| CHEMBL3290993 | 221752 | 0 | None | -158 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 436 | 11 | 5 | 6 | 4.3 | CC(C)Oc1ccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1 | 10.1016/j.bmcl.2014.04.069 | |||
| 24885648 | 41012 | 0 | None | -17 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 460 | 8 | 2 | 7 | 4.4 | OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1ccccc1 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1255596 | 41012 | 0 | None | -17 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 460 | 8 | 2 | 7 | 4.4 | OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1ccccc1 | 10.1016/j.bmcl.2010.08.039 | |||
| 46889852 | 20862 | 0 | None | -79 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 428 | 7 | 2 | 4 | 4.7 | O=C(c1ccccc1)C1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL1082827 | 20862 | 0 | None | -79 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 428 | 7 | 2 | 4 | 4.7 | O=C(c1ccccc1)C1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| 2249 | 1058 | 67 | None | 1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/acschembio.7b00481 | |||
| 255 | 1058 | 67 | None | 1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/acschembio.7b00481 | |||
| 548 | 1058 | 67 | None | 1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/acschembio.7b00481 | |||
| CHEMBL24 | 1058 | 67 | None | 1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/acschembio.7b00481 | |||
| DB00335 | 1058 | 67 | None | 1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/acschembio.7b00481 | |||
| 127045855 | 276971 | 0 | None | -1 | 6 | Mouse | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 319 | 8 | 4 | 6 | 1.8 | COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
| CHEMBL3797876 | 276971 | 0 | None | -1 | 6 | Mouse | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 319 | 8 | 4 | 6 | 1.8 | COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
| 127045855 | 276971 | 0 | None | -1 | 6 | Mouse | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 319 | 8 | 4 | 6 | 1.8 | COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 | 10.1016/j.bmc.2016.04.028 | |||
| CHEMBL3797876 | 276971 | 0 | None | -1 | 6 | Mouse | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 319 | 8 | 4 | 6 | 1.8 | COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 | 10.1016/j.bmc.2016.04.028 | |||
| 10459124 | 332738 | 0 | None | None | None | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 513 | 11 | 4 | 7 | 1.4 | NS(=O)(=O)c1cc(S(=O)(=O)NCCNCC(O)COc2cccc3ccccc23)ccc1Cl | 10.1021/jm00053a020 | |||
| CHEMBL43196 | 332738 | 0 | None | None | None | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 513 | 11 | 4 | 7 | 1.4 | NS(=O)(=O)c1cc(S(=O)(=O)NCCNCC(O)COc2cccc3ccccc23)ccc1Cl | 10.1021/jm00053a020 | |||
| 1960 | 5823 | 49 | None | -144 | 26 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00076a024 | |||
| 439260 | 5823 | 49 | None | -144 | 26 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00076a024 | |||
| 505 | 5823 | 49 | None | -144 | 26 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00076a024 | |||
| 6921840 | 5823 | 49 | None | -144 | 26 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00076a024 | |||
| CHEMBL1437 | 5823 | 49 | None | -144 | 26 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00076a024 | |||
| DB00368 | 5823 | 49 | None | -144 | 26 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00076a024 | |||
| 12578 | 1929 | 47 | None | -1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 219 | 4 | 3 | 4 | 1.2 | CC(C)NCC(C1=CC(=C(C=C1)N)C#N)O | 10.6019/CHEMBL5442175 | |||
| 2755 | 1929 | 47 | None | -1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 219 | 4 | 3 | 4 | 1.2 | CC(C)NCC(C1=CC(=C(C=C1)N)C#N)O | 10.6019/CHEMBL5442175 | |||
| CHEMBL1374751 | 1929 | 47 | None | -1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 219 | 4 | 3 | 4 | 1.2 | CC(C)NCC(C1=CC(=C(C=C1)N)C#N)O | 10.6019/CHEMBL5442175 | |||
| 53379897 | 135983 | 0 | None | -40 | 2 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@H](Cc1ccc2ccccc2c1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2009.11.062 | |||
| CHEMBL1800961 | 135983 | 0 | None | -40 | 2 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@H](Cc1ccc2ccccc2c1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2009.11.062 | |||
| 49864332 | 39503 | 0 | None | -6 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 310 | 7 | 4 | 5 | 2.4 | CCC(CC)CNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 | 10.1016/j.bmcl.2010.06.136 | |||
| CHEMBL1221540 | 39503 | 0 | None | -6 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 310 | 7 | 4 | 5 | 2.4 | CCC(CC)CNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 | 10.1016/j.bmcl.2010.06.136 | |||
| 49864396 | 39529 | 0 | None | -25 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 362 | 5 | 4 | 5 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@@H]3C3CCCC3)c2s1 | 10.1016/j.bmcl.2014.06.014 | |||
| CHEMBL1221682 | 39529 | 0 | None | -25 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 362 | 5 | 4 | 5 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@@H]3C3CCCC3)c2s1 | 10.1016/j.bmcl.2014.06.014 | |||
| 49864396 | 39529 | 0 | None | -25 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 362 | 5 | 4 | 5 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@@H]3C3CCCC3)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
| CHEMBL1221682 | 39529 | 0 | None | -25 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 362 | 5 | 4 | 5 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@@H]3C3CCCC3)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
| 49864441 | 39539 | 0 | None | -4 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 346 | 7 | 4 | 6 | 2.0 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCOc3ccccc3)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
| CHEMBL1221803 | 39539 | 0 | None | -4 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 346 | 7 | 4 | 6 | 2.0 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCOc3ccccc3)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
| 14823035 | 270609 | 1 | None | -52 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 377 | 9 | 2 | 5 | 3.1 | COC(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1 | 10.1016/S0960-894X(97)00266-7 | |||
| CHEMBL38486 | 270609 | 1 | None | -52 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 377 | 9 | 2 | 5 | 3.1 | COC(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1 | 10.1016/S0960-894X(97)00266-7 | |||
| 10379016 | 40380 | 0 | None | 1 | 3 | Guinea pig | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 281 | 1 | 1 | 5 | 0.9 | Brc1cnc(N2CCNCC2)c2nccn12 | 10.1021/jm00099a012 | |||
| CHEMBL123566 | 40380 | 0 | None | 1 | 3 | Guinea pig | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 281 | 1 | 1 | 5 | 0.9 | Brc1cnc(N2CCNCC2)c2nccn12 | 10.1021/jm00099a012 | |||
| 90469115 | 369125 | 7 | None | -56 | 17 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 410 | 3 | 1 | 6 | 3.0 | O=S(=O)(c1cccc(F)c1)n1ccc2c(N3CCNCC3)nc3ccccc3c21 | 10.1021/acs.jmedchem.1c00224 | |||
| CHEMBL4867565 | 369125 | 7 | None | -56 | 17 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 410 | 3 | 1 | 6 | 3.0 | O=S(=O)(c1cccc(F)c1)n1ccc2c(N3CCNCC3)nc3ccccc3c21 | 10.1021/acs.jmedchem.1c00224 | |||
| 46889701 | 21403 | 0 | None | -1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 500 | 9 | 2 | 6 | 4.0 | C=CCc1ccccc1OCC(O)CN1CCC(CN2C(=O)c3cccc4cc(O)cc(c34)C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL1085014 | 21403 | 0 | None | -1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 500 | 9 | 2 | 6 | 4.0 | C=CCc1ccccc1OCC(O)CN1CCC(CN2C(=O)c3cccc4cc(O)cc(c34)C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| 10131985 | 310673 | 0 | None | None | None | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 339 | 8 | 2 | 6 | 2.7 | Cc1ocnc1-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2007.06.072 | |||
| CHEMBL399440 | 310673 | 0 | None | None | None | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 339 | 8 | 2 | 6 | 2.7 | Cc1ocnc1-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2007.06.072 | |||
| 2249 | 1058 | 67 | None | 1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm2006782 | |||
| 255 | 1058 | 67 | None | 1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm2006782 | |||
| 548 | 1058 | 67 | None | 1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm2006782 | |||
| CHEMBL24 | 1058 | 67 | None | 1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm2006782 | |||
| DB00335 | 1058 | 67 | None | 1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm2006782 | |||
| 16736094 | 176707 | 0 | None | -9 | 2 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 302 | 6 | 5 | 5 | 1.9 | C[C@H](Cc1ccc(N)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | |||
| CHEMBL229391 | 176707 | 0 | None | -9 | 2 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 302 | 6 | 5 | 5 | 1.9 | C[C@H](Cc1ccc(N)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | |||
| 123133224 | 309011 | 0 | None | -9 | 2 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 302 | 6 | 5 | 5 | 1.9 | C[C@H](Cc1cccc(N)c1)NC[C@H](O)c1cc(O)cc(O)c1 | nan | |||
| CHEMBL4113713 | 309011 | 0 | None | -9 | 2 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 302 | 6 | 5 | 5 | 1.9 | C[C@H](Cc1cccc(N)c1)NC[C@H](O)c1cc(O)cc(O)c1 | nan | |||
| 118710936 | 231966 | 0 | None | -29 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 362 | 5 | 4 | 5 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCC[C@@H]3C3CCCC3)c2s1 | 10.1016/j.bmcl.2014.06.014 | |||
| CHEMBL3323654 | 231966 | 0 | None | -29 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 362 | 5 | 4 | 5 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCC[C@@H]3C3CCCC3)c2s1 | 10.1016/j.bmcl.2014.06.014 | |||
| 319 | 7908 | 34 | None | -190 | 9 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2012.07.096 | |||
| 444031 | 7908 | 34 | None | -190 | 9 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2012.07.096 | |||
| 784 | 7908 | 34 | None | -190 | 9 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2012.07.096 | |||
| CHEMBL1346 | 7908 | 34 | None | -190 | 9 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2012.07.096 | |||
| 127045854 | 276873 | 0 | None | -13 | 6 | Mouse | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 492 | 12 | 4 | 7 | 3.6 | COc1cc(CCNC[C@@H](O)c2ccc(O)c3c2OCC(=O)N3)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | |||
| CHEMBL3797205 | 276873 | 0 | None | -13 | 6 | Mouse | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 492 | 12 | 4 | 7 | 3.6 | COc1cc(CCNC[C@@H](O)c2ccc(O)c3c2OCC(=O)N3)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | |||
| 10420352 | 327758 | 5 | None | -6 | 4 | Guinea pig | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 201 | 3 | 4 | 4 | 0.5 | CNCC(O)c1ccc(O)c(O)c1F | 10.1021/jm00118a019 | |||
| CHEMBL43711 | 327758 | 5 | None | -6 | 4 | Guinea pig | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 201 | 3 | 4 | 4 | 0.5 | CNCC(O)c1ccc(O)c(O)c1F | 10.1021/jm00118a019 | |||
| 10420352 | 327758 | 5 | None | -6 | 4 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 201 | 3 | 4 | 4 | 0.5 | CNCC(O)c1ccc(O)c(O)c1F | 10.1021/jm990599h | |||
| CHEMBL43711 | 327758 | 5 | None | -6 | 4 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 201 | 3 | 4 | 4 | 0.5 | CNCC(O)c1ccc(O)c(O)c1F | 10.1021/jm990599h | |||
| 10420352 | 327758 | 5 | None | -6 | 4 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 201 | 3 | 4 | 4 | 0.5 | CNCC(O)c1ccc(O)c(O)c1F | 10.1021/jm00076a024 | |||
| CHEMBL43711 | 327758 | 5 | None | -6 | 4 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 201 | 3 | 4 | 4 | 0.5 | CNCC(O)c1ccc(O)c(O)c1F | 10.1021/jm00076a024 | |||
| 10051943 | 40214 | 0 | None | -602 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 507 | 2 | 3 | 3 | 3.7 | Oc1cc2c(cc1O)C(Cc1cc(I)cc(I)c1)NCC2 | 10.1021/jm960208o | |||
| CHEMBL122757 | 40214 | 0 | None | -602 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 507 | 2 | 3 | 3 | 3.7 | Oc1cc2c(cc1O)C(Cc1cc(I)cc(I)c1)NCC2 | 10.1021/jm960208o | |||
| 70684846 | 159238 | 17 | None | -4 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 394 | 6 | 4 | 4 | 3.2 | CCc1cc2c(cc1CC)CC(NC[C@H](O)c1ccc(O)c3c1CCC(=O)N3)C2 | 10.1016/j.bmcl.2012.07.096 | |||
| CHEMBL2088197 | 159238 | 17 | None | -4 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 394 | 6 | 4 | 4 | 3.2 | CCc1cc2c(cc1CC)CC(NC[C@H](O)c1ccc(O)c3c1CCC(=O)N3)C2 | 10.1016/j.bmcl.2012.07.096 | |||
| 49864440 | 39538 | 0 | None | -29 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 434 | 7 | 4 | 7 | 2.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CNC3CCN(CCN4CCCCCC4)CC3)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
| CHEMBL1221802 | 39538 | 0 | None | -29 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 434 | 7 | 4 | 7 | 2.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CNC3CCN(CCN4CCCCCC4)CC3)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
| 52916803 | 335526 | 28 | None | None | None | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 451 | 5 | 1 | 7 | 2.8 | CS(=O)(=O)c1cc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)ccn1 | 10.6019/CHEMBL5212743 | |||
| CHEMBL4456123 | 335526 | 28 | None | None | None | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 451 | 5 | 1 | 7 | 2.8 | CS(=O)(=O)c1cc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)ccn1 | 10.6019/CHEMBL5212743 | |||
| 52916803 | 335526 | 28 | None | None | None | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 451 | 5 | 1 | 7 | 2.8 | CS(=O)(=O)c1cc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)ccn1 | 10.6019/CHEMBL4507278 | |||
| CHEMBL4456123 | 335526 | 28 | None | None | None | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 451 | 5 | 1 | 7 | 2.8 | CS(=O)(=O)c1cc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)ccn1 | 10.6019/CHEMBL4507278 | |||
| 127035062 | 273890 | 0 | None | -72 | 19 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 447 | 12 | 0 | 5 | 5.2 | COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1039/C4MD00418C | |||
| CHEMBL3735756 | 273890 | 0 | None | -72 | 19 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 447 | 12 | 0 | 5 | 5.2 | COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1039/C4MD00418C | |||
| 688467 | 174344 | 4 | None | -22 | 2 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | |||
| CHEMBL229476 | 174344 | 4 | None | -22 | 2 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | |||
| 688467 | 174344 | 4 | None | -22 | 2 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | nan | |||
| CHEMBL229476 | 174344 | 4 | None | -22 | 2 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | nan | |||
| 132060734 | 328128 | 0 | None | -6 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 391 | 5 | 0 | 4 | 4.0 | C=C(C)CN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)C3)CC1 | 10.1016/j.ejmech.2018.02.024 | |||
| CHEMBL4177497 | 328128 | 0 | None | -6 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 391 | 5 | 0 | 4 | 4.0 | C=C(C)CN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)C3)CC1 | 10.1016/j.ejmech.2018.02.024 | |||
| 145990586 | 331653 | 0 | None | -1 | 11 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 297 | 2 | 2 | 4 | 2.6 | COc1cc2c3c(c1OC)-c1ccccc1[C@@H](O)[C@@H]3NCC2 | 10.1039/C7MD00656J | |||
| CHEMBL4285281 | 331653 | 0 | None | -1 | 11 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 297 | 2 | 2 | 4 | 2.6 | COc1cc2c3c(c1OC)-c1ccccc1[C@@H](O)[C@@H]3NCC2 | 10.1039/C7MD00656J | |||
| 46889729 | 21404 | 0 | None | -3 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 434 | 9 | 1 | 5 | 3.2 | C=CCc1ccccc1OCC(O)CN1CCC(CN2C(=O)c3ccccc3C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL1085016 | 21404 | 0 | None | -3 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 434 | 9 | 1 | 5 | 3.2 | C=CCc1ccccc1OCC(O)CN1CCC(CN2C(=O)c3ccccc3C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| 205951 | 311217 | 10 | None | None | None | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 171 | 2 | 3 | 3 | 0.7 | NCCc1ccc(O)c(O)c1F | 10.1021/jm990599h | |||
| CHEMBL40268 | 311217 | 10 | None | None | None | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 171 | 2 | 3 | 3 | 0.7 | NCCc1ccc(O)c(O)c1F | 10.1021/jm990599h | |||
| 52916803 | 335526 | 28 | None | None | None | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 451 | 5 | 1 | 7 | 2.8 | CS(=O)(=O)c1cc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)ccn1 | 10.6019/CHEMBL4507278 | |||
| CHEMBL4456123 | 335526 | 28 | None | None | None | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 451 | 5 | 1 | 7 | 2.8 | CS(=O)(=O)c1cc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)ccn1 | 10.6019/CHEMBL4507278 | |||
| 1499 | 4274 | 42 | None | -64 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | nan | |||
| 3779 | 4274 | 42 | None | -64 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | nan | |||
| 536 | 4274 | 42 | None | -64 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | nan | |||
| CHEMBL434 | 4274 | 42 | None | -64 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | nan | |||
| DB01064 | 4274 | 42 | None | -64 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | nan | |||
| 8029710 | 178405 | 8 | None | None | None | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 320 | 2 | 1 | 6 | 2.7 | CSc1nc(N2CCNCC2)c2sc3c(c2n1)CCCC3 | 10.1021/jm400140q | |||
| CHEMBL2335166 | 178405 | 8 | None | None | None | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 320 | 2 | 1 | 6 | 2.7 | CSc1nc(N2CCNCC2)c2sc3c(c2n1)CCCC3 | 10.1021/jm400140q | |||
| 1239 | 3447 | 41 | None | -12 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.069 | |||
| 3410 | 3447 | 41 | None | -12 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.069 | |||
| 3465 | 3447 | 41 | None | -12 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.069 | |||
| CHEMBL1256786 | 3447 | 41 | None | -12 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.069 | |||
| DB00983 | 3447 | 41 | None | -12 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.069 | |||
| 10311070 | 221747 | 0 | None | -316 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 484 | 11 | 5 | 6 | 5.2 | COc1ccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1-c1ccccc1 | 10.1016/j.bmcl.2014.04.069 | |||
| CHEMBL3290989 | 221747 | 0 | None | -316 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 484 | 11 | 5 | 6 | 5.2 | COc1ccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1-c1ccccc1 | 10.1016/j.bmcl.2014.04.069 | |||
| 25266787 | 355489 | 0 | None | None | None | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 356 | 10 | 3 | 5 | 2.6 | COc1ccccc1OCCNC[C@H](O)COc1cccc2[nH]ccc12 | 10.1016/j.ejmech.2008.05.019 | |||
| CHEMBL477466 | 355489 | 0 | None | None | None | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 356 | 10 | 3 | 5 | 2.6 | COc1ccccc1OCCNC[C@H](O)COc1cccc2[nH]ccc12 | 10.1016/j.ejmech.2008.05.019 | |||
| 49864358 | 39514 | 0 | None | -1 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 344 | 7 | 4 | 5 | 2.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCc3ccccc3)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
| CHEMBL1221589 | 39514 | 0 | None | -1 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 344 | 7 | 4 | 5 | 2.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCc3ccccc3)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
| 9871887 | 203248 | 0 | None | -6 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 537 | 3 | 3 | 4 | 3.7 | COc1c(I)cc(CC2NCCc3cc(O)c(O)cc32)cc1I | 10.1021/jm960208o | |||
| CHEMBL308351 | 203248 | 0 | None | -6 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 537 | 3 | 3 | 4 | 3.7 | COc1c(I)cc(CC2NCCc3cc(O)c(O)cc32)cc1I | 10.1021/jm960208o | |||
| 2303 | 6476 | 48 | None | -3 | 19 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00053a020 | |||
| 4946 | 6476 | 48 | None | -3 | 19 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00053a020 | |||
| 564 | 6476 | 48 | None | -3 | 19 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00053a020 | |||
| 63 | 6476 | 48 | None | -3 | 19 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00053a020 | |||
| 91536 | 6476 | 48 | None | -3 | 19 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00053a020 | |||
| CHEMBL27 | 6476 | 48 | None | -3 | 19 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00053a020 | |||
| CHEMBL452861 | 6476 | 48 | None | -3 | 19 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00053a020 | |||
| DB00571 | 6476 | 48 | None | -3 | 19 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00053a020 | |||
| 9860739 | 294947 | 1 | None | 1 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 288 | 6 | 3 | 3 | 2.8 | O[C@@H](CNC1CCCCC1)COc1cccc2[nH]ccc12 | 10.1016/j.bmcl.2007.07.086 | |||
| CHEMBL393648 | 294947 | 1 | None | 1 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 288 | 6 | 3 | 3 | 2.8 | O[C@@H](CNC1CCCCC1)COc1cccc2[nH]ccc12 | 10.1016/j.bmcl.2007.07.086 | |||
| 2303 | 6476 | 48 | None | -4 | 19 | Mouse | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2019.05.034 | |||
| 4946 | 6476 | 48 | None | -4 | 19 | Mouse | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2019.05.034 | |||
| 564 | 6476 | 48 | None | -4 | 19 | Mouse | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2019.05.034 | |||
| 63 | 6476 | 48 | None | -4 | 19 | Mouse | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2019.05.034 | |||
| 91536 | 6476 | 48 | None | -4 | 19 | Mouse | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2019.05.034 | |||
| CHEMBL27 | 6476 | 48 | None | -4 | 19 | Mouse | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2019.05.034 | |||
| CHEMBL452861 | 6476 | 48 | None | -4 | 19 | Mouse | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2019.05.034 | |||
| DB00571 | 6476 | 48 | None | -4 | 19 | Mouse | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2019.05.034 | |||
| 155512746 | 334241 | 0 | None | 19 | 2 | Mouse | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 568 | 22 | 3 | 10 | 3.9 | COc1cc(CCNC[C@H](O)COc2ccc(COCCOC(C)C)cc2)ccc1OCCSSCCN | 10.1016/j.bmc.2019.05.034 | |||
| CHEMBL4437569 | 334241 | 0 | None | 19 | 2 | Mouse | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 568 | 22 | 3 | 10 | 3.9 | COc1cc(CCNC[C@H](O)COc2ccc(COCCOC(C)C)cc2)ccc1OCCSSCCN | 10.1016/j.bmc.2019.05.034 | |||
| 131645 | 65779 | 3 | None | 1 | 2 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 310 | 5 | 3 | 5 | 1.9 | CC(C)(C)NCC(O)COc1cccc2c1SCC(=O)N2 | 10.1016/s0960-894x(00)00016-0 | |||
| CHEMBL140908 | 65779 | 3 | None | 1 | 2 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 310 | 5 | 3 | 5 | 1.9 | CC(C)(C)NCC(O)COc1cccc2c1SCC(=O)N2 | 10.1016/s0960-894x(00)00016-0 | |||
| 2369 | 1284 | 48 | None | 11 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.6019/CHEMBL5442175 | |||
| 356 | 1284 | 48 | None | 11 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.6019/CHEMBL5442175 | |||
| 549 | 1284 | 48 | None | 11 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.6019/CHEMBL5442175 | |||
| CHEMBL423 | 1284 | 48 | None | 11 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.6019/CHEMBL5442175 | |||
| DB00195 | 1284 | 48 | None | 11 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.6019/CHEMBL5442175 | |||
| 9858463 | 194547 | 0 | None | -19 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 325 | 8 | 2 | 6 | 2.4 | O[C@@H](CNCCOc1ccc(-c2cocn2)cc1)c1cccnc1 | 10.1016/j.bmcl.2007.06.072 | |||
| CHEMBL249336 | 194547 | 0 | None | -19 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 325 | 8 | 2 | 6 | 2.4 | O[C@@H](CNCCOc1ccc(-c2cocn2)cc1)c1cccnc1 | 10.1016/j.bmcl.2007.06.072 | |||
| 52943969 | 41663 | 0 | None | -23 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 517 | 9 | 3 | 8 | 4.3 | CC(=O)Nc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1258825 | 41663 | 0 | None | -23 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 517 | 9 | 3 | 8 | 4.3 | CC(=O)Nc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | |||
| 9901086 | 370865 | 25 | None | -676 | 15 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 304 | 4 | 1 | 5 | 2.1 | Clc1cccc(COc2cncc(N3CCNCC3)n2)c1 | 10.6019/CHEMBL5442175 | |||
| CHEMBL494947 | 370865 | 25 | None | -676 | 15 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 304 | 4 | 1 | 5 | 2.1 | Clc1cccc(COc2cncc(N3CCNCC3)n2)c1 | 10.6019/CHEMBL5442175 | |||
| 2291 | 6470 | 51 | None | -11 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | |||
| 2561 | 6470 | 51 | None | -11 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | |||
| 4932 | 6470 | 51 | None | -11 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | |||
| CHEMBL631 | 6470 | 51 | None | -11 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | |||
| DB01182 | 6470 | 51 | None | -11 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | |||
| 46889728 | 21046 | 0 | None | -5 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 516 | 9 | 1 | 6 | 4.7 | COc1cc2c3c(cccc3c1)C(=O)N(CC1CCN(CC(O)COc3ccccc3C(C)C)CC1)C2=O | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL1083666 | 21046 | 0 | None | -5 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 516 | 9 | 1 | 6 | 4.7 | COc1cc2c3c(cccc3c1)C(=O)N(CC1CCN(CC(O)COc3ccccc3C(C)C)CC1)C2=O | 10.1016/j.bmcl.2010.04.009 | |||
| 118710951 | 232791 | 0 | None | 1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 358 | 6 | 4 | 5 | 2.8 | Cc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1C | 10.1016/j.bmcl.2014.06.014 | |||
| CHEMBL3323671 | 232791 | 0 | None | 1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 358 | 6 | 4 | 5 | 2.8 | Cc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1C | 10.1016/j.bmcl.2014.06.014 | |||
| 172745 | 200298 | 2 | None | -5 | 4 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NCC(O)c1ccc(O)c(O)c1F | 10.1021/jm990599h | |||
| CHEMBL287587 | 200298 | 2 | None | -5 | 4 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NCC(O)c1ccc(O)c(O)c1F | 10.1021/jm990599h | |||
| 10155942 | 194723 | 0 | None | None | None | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 369 | 10 | 2 | 7 | 2.6 | COCc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)co1 | 10.1016/j.bmcl.2007.06.072 | |||
| CHEMBL250559 | 194723 | 0 | None | None | None | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 369 | 10 | 2 | 7 | 2.6 | COCc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)co1 | 10.1016/j.bmcl.2007.06.072 | |||
| 72544787 | 183935 | 0 | None | -6 | 5 | Pig | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 587 | 12 | 3 | 12 | 1.2 | COc1ccccc1N1CCN(Cc2cn(-c3ccc(OCCCOC4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4F)cc3)nn2)CC1 | 10.1016/j.bmcl.2013.09.026 | |||
| CHEMBL2443008 | 183935 | 0 | None | -6 | 5 | Pig | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 587 | 12 | 3 | 12 | 1.2 | COc1ccccc1N1CCN(Cc2cn(-c3ccc(OCCCOC4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4F)cc3)nn2)CC1 | 10.1016/j.bmcl.2013.09.026 | |||
| 72544789 | 183937 | 0 | None | -9 | 5 | Pig | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 363 | 9 | 0 | 7 | 1.6 | COc1ccccc1N1CCN(Cc2cn(CCOCCF)nn2)CC1 | 10.1016/j.bmcl.2013.09.026 | |||
| CHEMBL2443010 | 183937 | 0 | None | -9 | 5 | Pig | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 363 | 9 | 0 | 7 | 1.6 | COc1ccccc1N1CCN(Cc2cn(CCOCCF)nn2)CC1 | 10.1016/j.bmcl.2013.09.026 | |||
| 1028 | 599 | 43 | None | -66 | 18 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | |||
| 479 | 599 | 43 | None | -66 | 18 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | |||
| 5816 | 599 | 43 | None | -66 | 18 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | |||
| CHEMBL679 | 599 | 43 | None | -66 | 18 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | |||
| DB00668 | 599 | 43 | None | -66 | 18 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | |||
| 145946965 | 332366 | 0 | None | None | None | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 431 | 6 | 1 | 7 | 2.9 | O=c1c2ccccc2oc2c(OCC(O)CN3CCN(c4ccccn4)CC3)cccc12 | 10.1016/j.bmc.2018.04.038 | |||
| CHEMBL4300897 | 332366 | 0 | None | None | None | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 431 | 6 | 1 | 7 | 2.9 | O=c1c2ccccc2oc2c(OCC(O)CN3CCN(c4ccccn4)CC3)cccc12 | 10.1016/j.bmc.2018.04.038 | |||
| 93601 | 178397 | 57 | None | None | None | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 230 | 1 | 1 | 2 | 2.4 | Clc1ccc(N2CCNCC2)cc1Cl | 10.1021/jm400140q | |||
| CHEMBL2335159 | 178397 | 57 | None | None | None | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 230 | 1 | 1 | 2 | 2.4 | Clc1ccc(N2CCNCC2)cc1Cl | 10.1021/jm400140q | |||
| 21138 | 193677 | 30 | None | -4 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | CC(C)NC[C@@H](O)COc1cccc2ccccc12 | nan | |||
| CHEMBL275742 | 193677 | 30 | None | -4 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | CC(C)NC[C@@H](O)COc1cccc2ccccc12 | nan | |||
| DB03322 | 193677 | 30 | None | -4 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | CC(C)NC[C@@H](O)COc1cccc2ccccc12 | nan | |||
| 52949488 | 41416 | 0 | None | -19 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 490 | 9 | 2 | 8 | 4.4 | COc1ccccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1258023 | 41416 | 0 | None | -19 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 490 | 9 | 2 | 8 | 4.4 | COc1ccccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | |||
| 44423646 | 176189 | 0 | None | -4 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 396 | 10 | 2 | 5 | 3.9 | CCCCOc1ccc(C[C@@H](C)NC[C@@H](O)c2cc(Br)no2)cc1 | 10.1016/j.bmc.2007.01.056 | |||
| CHEMBL225775 | 176189 | 0 | None | -4 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 396 | 10 | 2 | 5 | 3.9 | CCCCOc1ccc(C[C@@H](C)NC[C@@H](O)c2cc(Br)no2)cc1 | 10.1016/j.bmc.2007.01.056 | |||
| 16735257 | 176664 | 0 | None | -223 | 2 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1 | 10.1021/jm070030d | |||
| CHEMBL228992 | 176664 | 0 | None | -223 | 2 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1 | 10.1021/jm070030d | |||
| 16735257 | 176664 | 0 | None | -223 | 2 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1 | nan | |||
| CHEMBL228992 | 176664 | 0 | None | -223 | 2 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1 | nan | |||
| 155561031 | 346680 | 0 | None | -1 | 2 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 524 | 20 | 3 | 9 | 3.6 | COCCc1ccc(OC[C@@H](O)CNCCc2ccc(OCCCSSCCN)c(OC)c2)cc1 | 10.1016/j.bmc.2019.05.034 | |||
| CHEMBL4566666 | 346680 | 0 | None | -1 | 2 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 524 | 20 | 3 | 9 | 3.6 | COCCc1ccc(OC[C@@H](O)CNCCc2ccc(OCCCSSCCN)c(OC)c2)cc1 | 10.1016/j.bmc.2019.05.034 | |||
| 10465942 | 27799 | 0 | None | -1 | 3 | Guinea pig | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 217 | 1 | 1 | 5 | 0.4 | Cc1cn2ccnc2c(N2CCNCC2)n1 | 10.1021/jm00099a012 | |||
| CHEMBL1193821 | 27799 | 0 | None | -1 | 3 | Guinea pig | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 217 | 1 | 1 | 5 | 0.4 | Cc1cn2ccnc2c(N2CCNCC2)n1 | 10.1021/jm00099a012 | |||
| 598754 | 102126 | 42 | None | None | None | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 227 | 1 | 1 | 3 | 2.0 | Cc1cc(N2CCNCC2)nc2ccccc12 | 10.1021/jm400561w | |||
| CHEMBL1559535 | 102126 | 42 | None | None | None | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 227 | 1 | 1 | 3 | 2.0 | Cc1cc(N2CCNCC2)nc2ccccc12 | 10.1021/jm400561w | |||
| 2388 | 18486 | 20 | None | -1 | 3 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
| 443372 | 18486 | 20 | None | -1 | 3 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
| CHEMBL1160723 | 18486 | 20 | None | -1 | 3 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
| 155536406 | 336682 | 0 | None | 1 | 2 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 524 | 20 | 3 | 9 | 3.6 | COCCc1ccc(OC[C@H](O)CNCCc2ccc(OCCCSSCCN)c(OC)c2)cc1 | 10.1016/j.bmc.2019.05.034 | |||
| CHEMBL4473272 | 336682 | 0 | None | 1 | 2 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 524 | 20 | 3 | 9 | 3.6 | COCCc1ccc(OC[C@H](O)CNCCc2ccc(OCCCSSCCN)c(OC)c2)cc1 | 10.1016/j.bmc.2019.05.034 | |||
| 1499 | 4274 | 42 | None | -5 | 12 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2016.04.028 | |||
| 3779 | 4274 | 42 | None | -5 | 12 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2016.04.028 | |||
| 536 | 4274 | 42 | None | -5 | 12 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2016.04.028 | |||
| CHEMBL434 | 4274 | 42 | None | -5 | 12 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2016.04.028 | |||
| DB01064 | 4274 | 42 | None | -5 | 12 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2016.04.028 | |||
| 10103956 | 25480 | 0 | None | 2 | 2 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 188 | 7 | 2 | 4 | 0.8 | CC/C=N/OCC(O)CNC(C)C | 10.1021/jm00036a018 | |||
| CHEMBL1178707 | 25480 | 0 | None | 2 | 2 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 188 | 7 | 2 | 4 | 0.8 | CC/C=N/OCC(O)CNC(C)C | 10.1021/jm00036a018 | |||
| 2389 | 6775 | 83 | None | -870 | 45 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1021/jm9810396 | |||
| 5073 | 6775 | 83 | None | -870 | 45 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1021/jm9810396 | |||
| 96 | 6775 | 83 | None | -870 | 45 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1021/jm9810396 | |||
| CHEMBL85 | 6775 | 83 | None | -870 | 45 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1021/jm9810396 | |||
| DB00734 | 6775 | 83 | None | -870 | 45 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1021/jm9810396 | |||
| 11154555 | 1656 | 51 | None | -794 | 24 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 426 | 5 | 1 | 3 | 4.3 | O=C(N(C)C)N[C@@H]1CC[C@H](CC1)CCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.6019/CHEMBL5442175 | |||
| 5037 | 1656 | 51 | None | -794 | 24 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 426 | 5 | 1 | 3 | 4.3 | O=C(N(C)C)N[C@@H]1CC[C@H](CC1)CCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.6019/CHEMBL5442175 | |||
| 7671 | 1656 | 51 | None | -794 | 24 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 426 | 5 | 1 | 3 | 4.3 | O=C(N(C)C)N[C@@H]1CC[C@H](CC1)CCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.6019/CHEMBL5442175 | |||
| CHEMBL2028019 | 1656 | 51 | None | -794 | 24 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 426 | 5 | 1 | 3 | 4.3 | O=C(N(C)C)N[C@@H]1CC[C@H](CC1)CCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.6019/CHEMBL5442175 | |||
| DB06016 | 1656 | 51 | None | -794 | 24 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 426 | 5 | 1 | 3 | 4.3 | O=C(N(C)C)N[C@@H]1CC[C@H](CC1)CCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.6019/CHEMBL5442175 | |||
| 598754 | 102126 | 42 | None | None | None | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 227 | 1 | 1 | 3 | 2.0 | Cc1cc(N2CCNCC2)nc2ccccc12 | 10.1021/jm400140q | |||
| CHEMBL1559535 | 102126 | 42 | None | None | None | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 227 | 1 | 1 | 3 | 2.0 | Cc1cc(N2CCNCC2)nc2ccccc12 | 10.1021/jm400140q | |||
| 9866060 | 159237 | 0 | None | 1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 406 | 6 | 4 | 4 | 3.5 | CCc1cc2c(cc1CC)CC(NCC(O)c1ccc(O)c3[nH]c(=O)c(C)cc13)C2 | 10.1016/j.bmcl.2012.07.096 | |||
| CHEMBL2088196 | 159237 | 0 | None | 1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 406 | 6 | 4 | 4 | 3.5 | CCc1cc2c(cc1CC)CC(NCC(O)c1ccc(O)c3[nH]c(=O)c(C)cc13)C2 | 10.1016/j.bmcl.2012.07.096 | |||
| 44423643 | 270641 | 0 | None | -8 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 426 | 10 | 2 | 7 | 2.6 | CCOC(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(Br)no2)cc1 | 10.1016/j.bmc.2007.01.056 | |||
| CHEMBL387852 | 270641 | 0 | None | -8 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 426 | 10 | 2 | 7 | 2.6 | CCOC(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(Br)no2)cc1 | 10.1016/j.bmc.2007.01.056 | |||
| 44396659 | 139647 | 0 | None | -6 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 535 | 11 | 4 | 8 | 3.2 | CS(=O)(=O)Oc1cccc2c(CCNC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.09.054 | |||
| CHEMBL188622 | 139647 | 0 | None | -6 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 535 | 11 | 4 | 8 | 3.2 | CS(=O)(=O)Oc1cccc2c(CCNC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.09.054 | |||
| 52947060 | 41453 | 0 | None | -2 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 474 | 8 | 2 | 7 | 4.7 | Cc1c(-c2ccccc2)sc2ncnc(N3CCC(NCC(O)COc4ccccc4)CC3)c12 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1258144 | 41453 | 0 | None | -2 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 474 | 8 | 2 | 7 | 4.7 | Cc1c(-c2ccccc2)sc2ncnc(N3CCC(NCC(O)COc4ccccc4)CC3)c12 | 10.1016/j.bmcl.2010.08.039 | |||
| 2419 | 7043 | 56 | None | -204 | 15 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2009.11.062 | |||
| 5152 | 7043 | 56 | None | -204 | 15 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2009.11.062 | |||
| 559 | 7043 | 56 | None | -204 | 15 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2009.11.062 | |||
| CHEMBL1263 | 7043 | 56 | None | -204 | 15 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2009.11.062 | |||
| DB00938 | 7043 | 56 | None | -204 | 15 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2009.11.062 | |||
| 10431900 | 135977 | 0 | None | -10 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 413 | 16 | 4 | 4 | 5.3 | OCc1cc(C(O)CNCCCCCCCCCCCc2ccccc2)ccc1O | 10.1016/j.bmc.2009.11.062 | |||
| CHEMBL1800935 | 135977 | 0 | None | -10 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 413 | 16 | 4 | 4 | 5.3 | OCc1cc(C(O)CNCCCCCCCCCCCc2ccccc2)ccc1O | 10.1016/j.bmc.2009.11.062 | |||
| 53387674 | 137463 | 0 | None | None | None | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 415 | 9 | 2 | 7 | 2.3 | COc1ccc2nc(-c3ccc(OCC(O)CNC(C)CF)cc3)n(C)c(=O)c2c1 | 10.1016/j.bmcl.2011.06.106 | |||
| CHEMBL1824265 | 137463 | 0 | None | None | None | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 415 | 9 | 2 | 7 | 2.3 | COc1ccc2nc(-c3ccc(OCC(O)CNC(C)CF)cc3)n(C)c(=O)c2c1 | 10.1016/j.bmcl.2011.06.106 | |||
| 127046952 | 277394 | 0 | None | -190 | 6 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 421 | 12 | 3 | 5 | 4.5 | COc1cc(CCNCCc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | |||
| CHEMBL3800636 | 277394 | 0 | None | -190 | 6 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 421 | 12 | 3 | 5 | 4.5 | COc1cc(CCNCCc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | |||
| 541614 | 41879 | 0 | None | -3 | 2 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 219 | 3 | 4 | 4 | 0.6 | CNCC(O)c1cc(F)c(O)c(O)c1F | 10.1021/jm00076a024 | |||
| CHEMBL126347 | 41879 | 0 | None | -3 | 2 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 219 | 3 | 4 | 4 | 0.6 | CNCC(O)c1cc(F)c(O)c(O)c1F | 10.1021/jm00076a024 | |||
| 11218492 | 178394 | 41 | None | None | None | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 231 | 1 | 1 | 3 | 1.5 | FC(F)(F)c1ccnc(N2CCNCC2)c1 | 10.1021/jm400140q | |||
| CHEMBL2335156 | 178394 | 41 | None | None | None | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 231 | 1 | 1 | 3 | 1.5 | FC(F)(F)c1ccnc(N2CCNCC2)c1 | 10.1021/jm400140q | |||
| 56645363 | 240095 | 21 | None | -5 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 311 | 3 | 1 | 4 | 3.8 | CC(C)(O)c1cncc(-c2nc3ccc(F)cc3n2C2CC2)c1 | 10.6019/CHEMBL4507294 | |||
| CHEMBL3582478 | 240095 | 21 | None | -5 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 311 | 3 | 1 | 4 | 3.8 | CC(C)(O)c1cncc(-c2nc3ccc(F)cc3n2C2CC2)c1 | 10.6019/CHEMBL4507294 | |||
| 24937013 | 41320 | 0 | None | -33 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 504 | 9 | 3 | 8 | 4.6 | CCc1cc(O)ccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1257676 | 41320 | 0 | None | -33 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 504 | 9 | 3 | 8 | 4.6 | CCc1cc(O)ccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | |||
| 56645363 | 240095 | 21 | None | -5 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 311 | 3 | 1 | 4 | 3.8 | CC(C)(O)c1cncc(-c2nc3ccc(F)cc3n2C2CC2)c1 | 10.6019/CHEMBL4507294 | |||
| CHEMBL3582478 | 240095 | 21 | None | -5 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 311 | 3 | 1 | 4 | 3.8 | CC(C)(O)c1cncc(-c2nc3ccc(F)cc3n2C2CC2)c1 | 10.6019/CHEMBL4507294 | |||
| 56645363 | 240095 | 21 | None | -5 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 311 | 3 | 1 | 4 | 3.8 | CC(C)(O)c1cncc(-c2nc3ccc(F)cc3n2C2CC2)c1 | 10.6019/CHEMBL5212743 | |||
| CHEMBL3582478 | 240095 | 21 | None | -5 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 311 | 3 | 1 | 4 | 3.8 | CC(C)(O)c1cncc(-c2nc3ccc(F)cc3n2C2CC2)c1 | 10.6019/CHEMBL5212743 | |||
| 1043 | 3255 | 6 | None | -257 | 33 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| 149 | 3255 | 6 | None | -257 | 33 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| 8223 | 3255 | 6 | None | -257 | 33 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| CHEMBL442 | 3255 | 6 | None | -257 | 33 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| DB00696 | 3255 | 6 | None | -257 | 33 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| 15461453 | 346937 | 0 | None | -4 | 2 | Mouse | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 390 | 10 | 2 | 4 | 4.8 | COc1ccccc1OCCNCCCOc1cccc2[nH]c3ccccc3c12 | 10.1021/acs.jmedchem.9b00349 | |||
| CHEMBL4513932 | 346937 | 0 | None | -4 | 2 | Mouse | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 390 | 10 | 2 | 4 | 4.8 | COc1ccccc1OCCNCCCOc1cccc2[nH]c3ccccc3c12 | 10.1021/acs.jmedchem.9b00349 | |||
| 44288393 | 336186 | 0 | None | None | None | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 310 | 5 | 3 | 5 | 2.7 | CC(C)(C)Nc1cccc2c1SC(OCCCO)C(=O)N2 | 10.1021/jm00053a020 | |||
| CHEMBL446609 | 336186 | 0 | None | None | None | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 310 | 5 | 3 | 5 | 2.7 | CC(C)(C)Nc1cccc2c1SC(OCCCO)C(=O)N2 | 10.1021/jm00053a020 | |||
| 10283146 | 216906 | 0 | None | -1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 656 | 12 | 5 | 9 | 3.1 | CS(=O)(=O)Nc1cc([C@@H](O)CNCC2CCN(S(=O)(=O)c3ccc(-n4cc(CC(=O)O)c5ccccc54)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00608-x | |||
| CHEMBL317003 | 216906 | 0 | None | -1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 656 | 12 | 5 | 9 | 3.1 | CS(=O)(=O)Nc1cc([C@@H](O)CNCC2CCN(S(=O)(=O)c3ccc(-n4cc(CC(=O)O)c5ccccc54)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00608-x | |||
| 2557 | 97937 | 42 | None | 1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 363 | 7 | 4 | 4 | 3.3 | CC(C)(C)NCC(O)COc1ccc(NC(=O)NC2CCCCC2)cc1 | 10.1021/acsmedchemlett.9b00075 | |||
| 68770 | 97937 | 42 | None | 1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 363 | 7 | 4 | 4 | 3.3 | CC(C)(C)NCC(O)COc1ccc(NC(=O)NC2CCCCC2)cc1 | 10.1021/acsmedchemlett.9b00075 | |||
| CHEMBL152067 | 97937 | 42 | None | 1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 363 | 7 | 4 | 4 | 3.3 | CC(C)(C)NCC(O)COc1ccc(NC(=O)NC2CCCCC2)cc1 | 10.1021/acsmedchemlett.9b00075 | |||
| DB11770 | 97937 | 42 | None | 1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 363 | 7 | 4 | 4 | 3.3 | CC(C)(C)NCC(O)COc1ccc(NC(=O)NC2CCCCC2)cc1 | 10.1021/acsmedchemlett.9b00075 | |||
| 46889700 | 21402 | 0 | None | -18 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 472 | 7 | 1 | 5 | 4.5 | CC(C)c1ccccc1OCC(O)CN1CCC(N2C(=O)c3cccc4cccc(c34)C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL1085013 | 21402 | 0 | None | -18 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 472 | 7 | 1 | 5 | 4.5 | CC(C)c1ccccc1OCC(O)CN1CCC(N2C(=O)c3cccc4cccc(c34)C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| 10082076 | 28108 | 0 | None | -10 | 3 | Guinea pig | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 217 | 1 | 1 | 5 | 0.4 | Cc1cnc2c(N3CCNCC3)nccn12 | 10.1021/jm00099a012 | |||
| CHEMBL1195953 | 28108 | 0 | None | -10 | 3 | Guinea pig | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 217 | 1 | 1 | 5 | 0.4 | Cc1cnc2c(N3CCNCC3)nccn12 | 10.1021/jm00099a012 | |||
| 15580747 | 137462 | 0 | None | 2 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 397 | 8 | 2 | 7 | 2.3 | COc1ccc2nc(-c3ccc(OCC(O)CNC(C)C)cc3)n(C)c(=O)c2c1 | 10.1016/j.bmcl.2011.06.106 | |||
| CHEMBL1824264 | 137462 | 0 | None | 2 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 397 | 8 | 2 | 7 | 2.3 | COc1ccc2nc(-c3ccc(OCC(O)CNC(C)C)cc3)n(C)c(=O)c2c1 | 10.1016/j.bmcl.2011.06.106 | |||
| 155526662 | 335727 | 0 | None | -3 | 2 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 333 | 9 | 4 | 6 | 1.7 | COc1ccccc1OCCNC[C@@H](O)Cc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
| CHEMBL4459109 | 335727 | 0 | None | -3 | 2 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 333 | 9 | 4 | 6 | 1.7 | COc1ccccc1OCCNC[C@@H](O)Cc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
| 6603724 | 308743 | 1 | None | 1 | 3 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NC[C@H](O)c1cc(O)c(O)cc1F | 10.1021/jm990599h | |||
| CHEMBL40317 | 308743 | 1 | None | 1 | 3 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NC[C@H](O)c1cc(O)c(O)cc1F | 10.1021/jm990599h | |||
| 46889768 | 21401 | 0 | None | -27 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 402 | 8 | 1 | 5 | 2.8 | CC(C)c1ccccc1OCC(O)CN1CCC(CN2C(=O)CCCC2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL1085010 | 21401 | 0 | None | -27 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 402 | 8 | 1 | 5 | 2.8 | CC(C)c1ccccc1OCC(O)CN1CCC(CN2C(=O)CCCC2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| 16737411 | 289687 | 0 | None | -8 | 2 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@H](Cc1ccccc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | |||
| CHEMBL389629 | 289687 | 0 | None | -8 | 2 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@H](Cc1ccccc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | |||
| 16737411 | 289687 | 0 | None | -8 | 2 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@H](Cc1ccccc1)NC[C@H](O)c1cc(O)cc(O)c1 | nan | |||
| CHEMBL389629 | 289687 | 0 | None | -8 | 2 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@H](Cc1ccccc1)NC[C@H](O)c1cc(O)cc(O)c1 | nan | |||
| 24321330 | 21165 | 0 | None | -1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 486 | 8 | 1 | 5 | 4.7 | CC(C)c1ccccc1OCC(O)CN1CCC(CN2C(=O)c3cccc4cccc(c34)C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL1083996 | 21165 | 0 | None | -1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 486 | 8 | 1 | 5 | 4.7 | CC(C)c1ccccc1OCC(O)CN1CCC(CN2C(=O)c3cccc4cccc(c34)C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| 46889771 | 21323 | 0 | None | -6 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 549 | 7 | 3 | 6 | 4.9 | O=C1c2cccc3cc(O)cc(c23)C(=O)N1CC1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL1084706 | 21323 | 0 | None | -6 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 549 | 7 | 3 | 6 | 4.9 | O=C1c2cccc3cc(O)cc(c23)C(=O)N1CC1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| 72545010 | 183930 | 0 | None | -7 | 5 | Pig | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 437 | 6 | 3 | 10 | -0.4 | COc1ccccc1N1CCN(Cc2cn([C@@H]3O[C@H](CF)[C@@H](O)[C@H](O)[C@H]3O)nn2)CC1 | 10.1016/j.bmcl.2013.09.026 | |||
| CHEMBL2443003 | 183930 | 0 | None | -7 | 5 | Pig | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 437 | 6 | 3 | 10 | -0.4 | COc1ccccc1N1CCN(Cc2cn([C@@H]3O[C@H](CF)[C@@H](O)[C@H](O)[C@H]3O)nn2)CC1 | 10.1016/j.bmcl.2013.09.026 | |||
| 172745 | 200298 | 2 | None | -5 | 4 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NCC(O)c1ccc(O)c(O)c1F | 10.1021/jm00076a024 | |||
| CHEMBL287587 | 200298 | 2 | None | -5 | 4 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NCC(O)c1ccc(O)c(O)c1F | 10.1021/jm00076a024 | |||
| 24733400 | 178403 | 1 | None | None | None | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 295 | 2 | 1 | 4 | 3.4 | c1csc(-c2cccc3ccc(N4CCNCC4)nc23)c1 | 10.1021/jm400140q | |||
| CHEMBL2335164 | 178403 | 1 | None | None | None | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 295 | 2 | 1 | 4 | 3.4 | c1csc(-c2cccc3ccc(N4CCNCC4)nc23)c1 | 10.1021/jm400140q | |||
| 10296414 | 7178 | 15 | None | -1995 | 9 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 431 | 6 | 1 | 5 | 4.2 | O=C1COc2c(N1)cc(cc2)CC1CCN(CC1)CCOc1cccc2c1ccc(n2)C | 10.1016/j.bmcl.2006.11.031 | |||
| 76 | 7178 | 15 | None | -1995 | 9 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 431 | 6 | 1 | 5 | 4.2 | O=C1COc2c(N1)cc(cc2)CC1CCN(CC1)CCOc1cccc2c1ccc(n2)C | 10.1016/j.bmcl.2006.11.031 | |||
| CHEMBL183460 | 7178 | 15 | None | -1995 | 9 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 431 | 6 | 1 | 5 | 4.2 | O=C1COc2c(N1)cc(cc2)CC1CCN(CC1)CCOc1cccc2c1ccc(n2)C | 10.1016/j.bmcl.2006.11.031 | |||
| 44439165 | 292469 | 0 | None | -1000 | 8 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 483 | 6 | 1 | 5 | 5.0 | Cc1ccc2c(OCCN3CCC(Cc4cc5c(cc4F)OCC(=O)N5)CC3)cc(Cl)cc2n1 | 10.1016/j.bmcl.2006.11.031 | |||
| CHEMBL391661 | 292469 | 0 | None | -1000 | 8 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 483 | 6 | 1 | 5 | 5.0 | Cc1ccc2c(OCCN3CCC(Cc4cc5c(cc4F)OCC(=O)N5)CC3)cc(Cl)cc2n1 | 10.1016/j.bmcl.2006.11.031 | |||
| 2419 | 7043 | 56 | None | -204 | 15 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.069 | |||
| 5152 | 7043 | 56 | None | -204 | 15 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.069 | |||
| 559 | 7043 | 56 | None | -204 | 15 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.069 | |||
| CHEMBL1263 | 7043 | 56 | None | -204 | 15 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.069 | |||
| DB00938 | 7043 | 56 | None | -204 | 15 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.069 | |||
| 2778334 | 178395 | 54 | None | None | None | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 232 | 1 | 1 | 4 | 0.9 | FC(F)(F)c1ccnc(N2CCNCC2)n1 | 10.1021/jm400140q | |||
| CHEMBL2335157 | 178395 | 54 | None | None | None | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 232 | 1 | 1 | 4 | 0.9 | FC(F)(F)c1ccnc(N2CCNCC2)n1 | 10.1021/jm400140q | |||
| 59119472 | 221744 | 0 | None | -31 | 2 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 418 | 9 | 5 | 5 | 4.0 | OCc1cc(C(O)CNCCc2ccc(Nc3ccc4c(c3)CCC4)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | |||
| CHEMBL3290986 | 221744 | 0 | None | -31 | 2 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 418 | 9 | 5 | 5 | 4.0 | OCc1cc(C(O)CNCCc2ccc(Nc3ccc4c(c3)CCC4)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | |||
| 176 | 823 | 54 | None | -660 | 31 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
| 2157 | 823 | 54 | None | -660 | 31 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
| 2566 | 823 | 54 | None | -660 | 31 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
| CHEMBL633 | 823 | 54 | None | -660 | 31 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
| DB01118 | 823 | 54 | None | -660 | 31 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
| 52943968 | 41662 | 0 | None | -69 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 518 | 9 | 4 | 8 | 3.8 | NC(=O)Nc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1258824 | 41662 | 0 | None | -69 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 518 | 9 | 4 | 8 | 3.8 | NC(=O)Nc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | |||
| 70691181 | 159240 | 0 | None | -13 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 392 | 7 | 4 | 4 | 3.4 | CCCCc1ccc2c(c1)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 | 10.1016/j.bmcl.2012.07.096 | |||
| CHEMBL2088199 | 159240 | 0 | None | -13 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 392 | 7 | 4 | 4 | 3.4 | CCCCc1ccc2c(c1)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 | 10.1016/j.bmcl.2012.07.096 | |||
| 46889769 | 21049 | 0 | None | -109 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 304 | 8 | 2 | 4 | 1.8 | C=CCc1ccccc1OCC(O)CNC1CCN(C)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL1083669 | 21049 | 0 | None | -109 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 304 | 8 | 2 | 4 | 1.8 | C=CCc1ccccc1OCC(O)CNC1CCN(C)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| 72545240 | 183934 | 0 | None | -16 | 5 | Pig | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 469 | 12 | 0 | 8 | 3.4 | COc1ccccc1N1CCN(Cc2cn(-c3ccc(OCCCOCCF)cc3)nn2)CC1 | 10.1016/j.bmcl.2013.09.026 | |||
| CHEMBL2443007 | 183934 | 0 | None | -16 | 5 | Pig | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 469 | 12 | 0 | 8 | 3.4 | COc1ccccc1N1CCN(Cc2cn(-c3ccc(OCCCOCCF)cc3)nn2)CC1 | 10.1016/j.bmcl.2013.09.026 | |||
| 9960584 | 308699 | 0 | None | -436 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 500 | 12 | 4 | 7 | 3.3 | COc1ccc([C@@H](Cc2ccccc2)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | |||
| CHEMBL399329 | 308699 | 0 | None | -436 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 500 | 12 | 4 | 7 | 3.3 | COc1ccc([C@@H](Cc2ccccc2)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | |||
| 44571262 | 26843 | 0 | None | None | None | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 341 | 7 | 2 | 5 | 3.1 | CC(C)(CO)NCCCOc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2008.12.031 | |||
| CHEMBL1186815 | 26843 | 0 | None | None | None | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 341 | 7 | 2 | 5 | 3.1 | CC(C)(CO)NCCCOc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2008.12.031 | |||
| 135398737 | 1973 | 61 | None | -144 | 61 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm9810396 | |||
| 2818 | 1973 | 61 | None | -144 | 61 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm9810396 | |||
| 38 | 1973 | 61 | None | -144 | 61 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm9810396 | |||
| 722 | 1973 | 61 | None | -144 | 61 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm9810396 | |||
| CHEMBL253391 | 1973 | 61 | None | -144 | 61 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm9810396 | |||
| CHEMBL42 | 1973 | 61 | None | -144 | 61 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm9810396 | |||
| DB00363 | 1973 | 61 | None | -144 | 61 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm9810396 | |||
| 1960 | 5823 | 49 | None | -144 | 26 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | |||
| 439260 | 5823 | 49 | None | -144 | 26 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | |||
| 505 | 5823 | 49 | None | -144 | 26 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | |||
| 6921840 | 5823 | 49 | None | -144 | 26 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | |||
| CHEMBL1437 | 5823 | 49 | None | -144 | 26 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | |||
| DB00368 | 5823 | 49 | None | -144 | 26 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | |||
| 24886595 | 41515 | 0 | None | -4 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 478 | 8 | 2 | 7 | 4.5 | OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1ccc(F)cc1 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1258370 | 41515 | 0 | None | -4 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 478 | 8 | 2 | 7 | 4.5 | OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1ccc(F)cc1 | 10.1016/j.bmcl.2010.08.039 | |||
| 145947253 | 332420 | 0 | None | 1 | 2 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 364 | 10 | 3 | 5 | 1.2 | CNCC(O)COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 | 10.1021/acs.jmedchem.8b00625 | |||
| CHEMBL4301724 | 332420 | 0 | None | 1 | 2 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 364 | 10 | 3 | 5 | 1.2 | CNCC(O)COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 | 10.1021/acs.jmedchem.8b00625 | |||
| 389 | 239896 | 36 | None | -2 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 380 | 7 | 2 | 4 | 4.5 | Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1 | nan | |||
| 44112 | 239896 | 36 | None | -2 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 380 | 7 | 2 | 4 | 4.5 | Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1 | nan | |||
| CHEMBL357995 | 239896 | 36 | None | -2 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 380 | 7 | 2 | 4 | 4.5 | Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1 | nan | |||
| DB08807 | 239896 | 36 | None | -2 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 380 | 7 | 2 | 4 | 4.5 | Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1 | nan | |||
| 46889643 | 20980 | 0 | None | 4 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 483 | 7 | 2 | 5 | 4.1 | O=C1c2cccc3cccc(c23)C(=O)N1CC1CCN(CC(O)COc2cccc3[nH]ccc23)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL1083368 | 20980 | 0 | None | 4 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 483 | 7 | 2 | 5 | 4.1 | O=C1c2cccc3cccc(c23)C(=O)N1CC1CCN(CC(O)COc2cccc3[nH]ccc23)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| 155555687 | 346664 | 0 | None | 2 | 2 | Mouse | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 510 | 19 | 3 | 9 | 3.2 | COCCc1ccc(OC[C@@H](O)CNCCc2ccc(OCCSSCCN)c(OC)c2)cc1 | 10.1016/j.bmc.2019.05.034 | |||
| CHEMBL4553747 | 346664 | 0 | None | 2 | 2 | Mouse | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 510 | 19 | 3 | 9 | 3.2 | COCCc1ccc(OC[C@@H](O)CNCCc2ccc(OCCSSCCN)c(OC)c2)cc1 | 10.1016/j.bmc.2019.05.034 | |||
| 9924779 | 194846 | 0 | None | -8 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 355 | 9 | 3 | 7 | 1.9 | OCc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)co1 | 10.1016/j.bmcl.2007.06.072 | |||
| CHEMBL251180 | 194846 | 0 | None | -8 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 355 | 9 | 3 | 7 | 1.9 | OCc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)co1 | 10.1016/j.bmcl.2007.06.072 | |||
| 44444191 | 336954 | 0 | None | -38 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 548 | 13 | 4 | 7 | 4.3 | COc1ccc([C@H](CCc2ccccc2Cl)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | |||
| CHEMBL447786 | 336954 | 0 | None | -38 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 548 | 13 | 4 | 7 | 4.3 | COc1ccc([C@H](CCc2ccccc2Cl)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | |||
| 1960 | 5823 | 49 | None | -144 | 26 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | |||
| 439260 | 5823 | 49 | None | -144 | 26 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | |||
| 505 | 5823 | 49 | None | -144 | 26 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | |||
| 6921840 | 5823 | 49 | None | -144 | 26 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | |||
| CHEMBL1437 | 5823 | 49 | None | -144 | 26 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | |||
| DB00368 | 5823 | 49 | None | -144 | 26 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | |||
| 42629372 | 135984 | 0 | None | -52 | 2 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@@H](Cc1ccc2ccccc2c1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2009.11.062 | |||
| CHEMBL1800962 | 135984 | 0 | None | -52 | 2 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@@H](Cc1ccc2ccccc2c1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2009.11.062 | |||
| 10406968 | 232785 | 0 | None | -1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 372 | 8 | 4 | 5 | 3.1 | CCCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2014.06.014 | |||
| CHEMBL3323665 | 232785 | 0 | None | -1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 372 | 8 | 4 | 5 | 3.1 | CCCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2014.06.014 | |||
| 10466448 | 222343 | 0 | None | -34 | 2 | Guinea pig | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 231 | 1 | 0 | 5 | 0.8 | Cc1cnc(N2CCN(C)CC2)c2nccn12 | 10.1021/jm00099a012 | |||
| CHEMBL330994 | 222343 | 0 | None | -34 | 2 | Guinea pig | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 231 | 1 | 0 | 5 | 0.8 | Cc1cnc(N2CCN(C)CC2)c2nccn12 | 10.1021/jm00099a012 | |||
| 24936763 | 41485 | 0 | None | -30 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 520 | 9 | 4 | 9 | 3.9 | Cc1c(-c2ccccc2)sc2ncnc(N3CCC(NCC(O)COc4ccc(O)c(CO)c4)CC3)c12 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1258260 | 41485 | 0 | None | -30 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 520 | 9 | 4 | 9 | 3.9 | Cc1c(-c2ccccc2)sc2ncnc(N3CCC(NCC(O)COc4ccc(O)c(CO)c4)CC3)c12 | 10.1016/j.bmcl.2010.08.039 | |||
| 24936885 | 41354 | 0 | None | -32 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 504 | 9 | 3 | 8 | 4.6 | CCc1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1257797 | 41354 | 0 | None | -32 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 504 | 9 | 3 | 8 | 4.6 | CCc1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | |||
| 12828570 | 19413 | 0 | None | -1 | 2 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 237 | 3 | 3 | 4 | 1.7 | CC(C)NCC1OCCc2c1ccc(O)c2O | 10.1021/jm00073a006 | |||
| CHEMBL105434 | 19413 | 0 | None | -1 | 2 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 237 | 3 | 3 | 4 | 1.7 | CC(C)NCC1OCCc2c1ccc(O)c2O | 10.1021/jm00073a006 | |||
| 52941476 | 41554 | 0 | None | -28 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 488 | 9 | 2 | 7 | 4.9 | CCc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1258484 | 41554 | 0 | None | -28 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 488 | 9 | 2 | 7 | 4.9 | CCc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | |||
| 155529446 | 335990 | 0 | None | -8 | 2 | Mouse | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 502 | 16 | 3 | 8 | 4.1 | COc1cc(CCNC[C@@H](O)COc2cccc3ccccc23)ccc1OCCSSCCN | 10.1016/j.bmc.2019.05.034 | |||
| CHEMBL4463246 | 335990 | 0 | None | -8 | 2 | Mouse | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 502 | 16 | 3 | 8 | 4.1 | COc1cc(CCNC[C@@H](O)COc2cccc3ccccc23)ccc1OCCSSCCN | 10.1016/j.bmc.2019.05.034 | |||
| 52941603 | 41172 | 0 | None | -21 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 573 | 9 | 2 | 9 | 3.8 | O=C(c1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1)N1CCOCC1 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1257204 | 41172 | 0 | None | -21 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 573 | 9 | 2 | 9 | 3.8 | O=C(c1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1)N1CCOCC1 | 10.1016/j.bmcl.2010.08.039 | |||
| 52947443 | 41483 | 0 | None | -17 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 478 | 8 | 2 | 7 | 4.5 | OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1cccc(F)c1 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1258258 | 41483 | 0 | None | -17 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 478 | 8 | 2 | 7 | 4.5 | OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1cccc(F)c1 | 10.1016/j.bmcl.2010.08.039 | |||
| 2770390 | 21051 | 10 | None | -1 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 499 | 10 | 1 | 6 | 3.2 | C=CCc1ccccc1OCC(O)CN1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL1083672 | 21051 | 10 | None | -1 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 499 | 10 | 1 | 6 | 3.2 | C=CCc1ccccc1OCC(O)CN1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| 10083242 | 28082 | 1 | None | -8 | 3 | Guinea pig | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 245 | 2 | 1 | 5 | 1.3 | CC(C)c1cnc2c(N3CCNCC3)nccn12 | 10.1021/jm00099a012 | |||
| CHEMBL1195814 | 28082 | 1 | None | -8 | 3 | Guinea pig | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 245 | 2 | 1 | 5 | 1.3 | CC(C)c1cnc2c(N3CCNCC3)nccn12 | 10.1021/jm00099a012 | |||
| 44582475 | 355488 | 0 | None | None | None | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 356 | 10 | 3 | 5 | 2.6 | COc1ccccc1OCCNCC(O)COc1cccc2[nH]ccc12 | 10.1016/j.ejmech.2008.05.019 | |||
| CHEMBL477465 | 355488 | 0 | None | None | None | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 356 | 10 | 3 | 5 | 2.6 | COc1ccccc1OCCNCC(O)COc1cccc2[nH]ccc12 | 10.1016/j.ejmech.2008.05.019 | |||
| 2303 | 6476 | 48 | None | -27 | 19 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1007/s00044-008-9094-3 | |||
| 4946 | 6476 | 48 | None | -27 | 19 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1007/s00044-008-9094-3 | |||
| 564 | 6476 | 48 | None | -27 | 19 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1007/s00044-008-9094-3 | |||
| 63 | 6476 | 48 | None | -27 | 19 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1007/s00044-008-9094-3 | |||
| 91536 | 6476 | 48 | None | -27 | 19 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1007/s00044-008-9094-3 | |||
| CHEMBL27 | 6476 | 48 | None | -27 | 19 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1007/s00044-008-9094-3 | |||
| CHEMBL452861 | 6476 | 48 | None | -27 | 19 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1007/s00044-008-9094-3 | |||
| DB00571 | 6476 | 48 | None | -27 | 19 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1007/s00044-008-9094-3 | |||
| 46889811 | 20785 | 0 | None | -16 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 444 | 8 | 2 | 4 | 5.0 | COc1ccc(CC2CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1 | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL1082500 | 20785 | 0 | None | -16 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 444 | 8 | 2 | 4 | 5.0 | COc1ccc(CC2CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1 | 10.1016/j.bmcl.2010.04.009 | |||
| 185394 | 270560 | 41 | None | -3 | 5 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNC[C@@H](O)COc1cccc2[nH]c3ccccc3c12 | 10.1021/acs.jmedchem.9b00349 | |||
| CHEMBL3798017 | 270560 | 41 | None | -3 | 5 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNC[C@@H](O)COc1cccc2[nH]c3ccccc3c12 | 10.1021/acs.jmedchem.9b00349 | |||
| 49864356 | 39512 | 0 | None | -2 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 330 | 6 | 4 | 5 | 2.2 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccccc3)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
| CHEMBL1221587 | 39512 | 0 | None | -2 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 330 | 6 | 4 | 5 | 2.2 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccccc3)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
| 12147227 | 124742 | 0 | None | 1 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 578 | 8 | 6 | 9 | 2.3 | CN(C)C(=N)NC1=NC(=O)/C(=C/c2ccc(N3CCC(NC[C@H](O)COc4cccc5[nH]c(O)nc45)CC3)cc2)S1 | 10.1016/s0960-894x(01)00147-0 | |||
| 142109147 | 124742 | 0 | None | 1 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 578 | 8 | 6 | 9 | 2.3 | CN(C)C(=N)NC1=NC(=O)/C(=C/c2ccc(N3CCC(NC[C@H](O)COc4cccc5[nH]c(O)nc45)CC3)cc2)S1 | 10.1016/s0960-894x(01)00147-0 | |||
| 44386630 | 124742 | 0 | None | 1 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 578 | 8 | 6 | 9 | 2.3 | CN(C)C(=N)NC1=NC(=O)/C(=C/c2ccc(N3CCC(NC[C@H](O)COc4cccc5[nH]c(O)nc45)CC3)cc2)S1 | 10.1016/s0960-894x(01)00147-0 | |||
| 69921317 | 124742 | 0 | None | 1 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 578 | 8 | 6 | 9 | 2.3 | CN(C)C(=N)NC1=NC(=O)/C(=C/c2ccc(N3CCC(NC[C@H](O)COc4cccc5[nH]c(O)nc45)CC3)cc2)S1 | 10.1016/s0960-894x(01)00147-0 | |||
| CHEMBL177442 | 124742 | 0 | None | 1 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 578 | 8 | 6 | 9 | 2.3 | CN(C)C(=N)NC1=NC(=O)/C(=C/c2ccc(N3CCC(NC[C@H](O)COc4cccc5[nH]c(O)nc45)CC3)cc2)S1 | 10.1016/s0960-894x(01)00147-0 | |||
| 39468 | 37932 | 24 | None | -2 | 7 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NC[C@H](O)COc1cccc2c1CCCC2=O | nan | |||
| 431 | 37932 | 24 | None | -2 | 7 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NC[C@H](O)COc1cccc2c1CCCC2=O | nan | |||
| CHEMBL1201237 | 37932 | 24 | None | -2 | 7 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NC[C@H](O)COc1cccc2c1CCCC2=O | nan | |||
| DB01210 | 37932 | 24 | None | -2 | 7 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NC[C@H](O)COc1cccc2c1CCCC2=O | nan | |||
| 52946537 | 41592 | 0 | None | -2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 384 | 7 | 2 | 7 | 2.7 | OC(CNC1CCN(c2ncnc3ccsc23)CC1)COc1ccccc1 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1258599 | 41592 | 0 | None | -2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 384 | 7 | 2 | 7 | 2.7 | OC(CNC1CCN(c2ncnc3ccsc23)CC1)COc1ccccc1 | 10.1016/j.bmcl.2010.08.039 | |||
| 118710941 | 232779 | 0 | None | -5 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 370 | 5 | 4 | 5 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@@H]3c3ccccc3)c2s1 | 10.1016/j.bmcl.2014.06.014 | |||
| CHEMBL3323659 | 232779 | 0 | None | -5 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 370 | 5 | 4 | 5 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@@H]3c3ccccc3)c2s1 | 10.1016/j.bmcl.2014.06.014 | |||
| 164451 | 203225 | 8 | None | 1 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 361 | 12 | 3 | 6 | 1.6 | O=C(O)COc1ccc(OCCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/0960-894X(96)00417-9 | |||
| CHEMBL308150 | 203225 | 8 | None | 1 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 361 | 12 | 3 | 6 | 1.6 | O=C(O)COc1ccc(OCCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/0960-894X(96)00417-9 | |||
| 46889727 | 20979 | 0 | None | -3 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 514 | 10 | 1 | 6 | 4.3 | C=CCc1ccccc1OCC(O)CN1CCC(CN2C(=O)c3cccc4cc(OC)cc(c34)C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL1083366 | 20979 | 0 | None | -3 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 514 | 10 | 1 | 6 | 4.3 | C=CCc1ccccc1OCC(O)CN1CCC(CN2C(=O)c3cccc4cc(OC)cc(c34)C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| 127046948 | 277364 | 0 | None | -13 | 6 | Mouse | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 488 | 12 | 4 | 6 | 4.1 | COc1cc(CCNC[C@@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | |||
| CHEMBL3800468 | 277364 | 0 | None | -13 | 6 | Mouse | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 488 | 12 | 4 | 6 | 4.1 | COc1cc(CCNC[C@@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | |||
| 15077955 | 311346 | 0 | None | None | None | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 496 | 10 | 5 | 7 | 0.6 | NS(=O)(=O)c1cc(C(=O)NCCNCC(O)COc2cccc3c2CCC(=O)N3)ccc1Cl | 10.1021/jm00053a020 | |||
| CHEMBL40343 | 311346 | 0 | None | None | None | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 496 | 10 | 5 | 7 | 0.6 | NS(=O)(=O)c1cc(C(=O)NCCNCC(O)COc2cccc3c2CCC(=O)N3)ccc1Cl | 10.1021/jm00053a020 | |||
| 1028 | 599 | 43 | None | -23 | 18 | Guinea pig | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00118a019 | |||
| 479 | 599 | 43 | None | -23 | 18 | Guinea pig | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00118a019 | |||
| 5816 | 599 | 43 | None | -23 | 18 | Guinea pig | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00118a019 | |||
| CHEMBL679 | 599 | 43 | None | -23 | 18 | Guinea pig | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00118a019 | |||
| DB00668 | 599 | 43 | None | -23 | 18 | Guinea pig | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00118a019 | |||
| 53387673 | 137464 | 0 | None | None | None | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 415 | 9 | 2 | 7 | 2.3 | COc1ccc2nc(-c3ccc(OC[C@@H](O)CNC(C)CF)cc3)n(C)c(=O)c2c1 | 10.1016/j.bmcl.2011.06.106 | |||
| CHEMBL1824266 | 137464 | 0 | None | None | None | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 415 | 9 | 2 | 7 | 2.3 | COc1ccc2nc(-c3ccc(OC[C@@H](O)CNC(C)CF)cc3)n(C)c(=O)c2c1 | 10.1016/j.bmcl.2011.06.106 | |||
| 16736091 | 176665 | 0 | None | -134 | 2 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1 | nan | |||
| CHEMBL228996 | 176665 | 0 | None | -134 | 2 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1 | nan | |||
| 16736091 | 176665 | 0 | None | -134 | 2 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1 | 10.1021/jm070030d | |||
| CHEMBL228996 | 176665 | 0 | None | -134 | 2 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1 | 10.1021/jm070030d | |||
| 25198751 | 26857 | 0 | None | None | None | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 325 | 7 | 2 | 5 | 2.5 | C=CCNCC(O)COc1ccc2oc3ccccc3c(=O)c2c1 | 10.1016/j.bmc.2008.12.031 | |||
| CHEMBL1186872 | 26857 | 0 | None | None | None | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 325 | 7 | 2 | 5 | 2.5 | C=CCNCC(O)COc1ccc2oc3ccccc3c(=O)c2c1 | 10.1016/j.bmc.2008.12.031 | |||
| 10457669 | 316834 | 0 | None | None | None | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 475 | 7 | 2 | 6 | 2.7 | NS(=O)(=O)c1cc(N2CCN(CC(O)COc3cccc4ccccc34)CC2)ccc1Cl | 10.1021/jm00053a020 | |||
| CHEMBL41214 | 316834 | 0 | None | None | None | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 475 | 7 | 2 | 6 | 2.7 | NS(=O)(=O)c1cc(N2CCN(CC(O)COc3cccc4ccccc34)CC2)ccc1Cl | 10.1021/jm00053a020 | |||
| 49864461 | 39542 | 0 | None | -1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 381 | 12 | 4 | 6 | 2.8 | CCCCN(CCCC)CCNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 | 10.1016/j.bmcl.2010.06.136 | |||
| CHEMBL1221862 | 39542 | 0 | None | -1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 381 | 12 | 4 | 6 | 2.8 | CCCCN(CCCC)CCNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 | 10.1016/j.bmcl.2010.06.136 | |||
| 44287337 | 297807 | 0 | None | -2 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 378 | 9 | 4 | 5 | 2.5 | C[C@H](Cc1ccc(OCC(=O)NO)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/S0960-894X(97)00266-7 | |||
| CHEMBL39596 | 297807 | 0 | None | -2 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 378 | 9 | 4 | 5 | 2.5 | C[C@H](Cc1ccc(OCC(=O)NO)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/S0960-894X(97)00266-7 | |||
| 11820657 | 27699 | 0 | None | -6 | 2 | Guinea pig | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 217 | 1 | 1 | 5 | 0.4 | Cc1cn2ccnc(N3CCNCC3)c2n1 | 10.1021/jm00099a012 | |||
| CHEMBL1193017 | 27699 | 0 | None | -6 | 2 | Guinea pig | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 217 | 1 | 1 | 5 | 0.4 | Cc1cn2ccnc(N3CCNCC3)c2n1 | 10.1021/jm00099a012 | |||
| 155534529 | 336490 | 0 | None | -2 | 2 | Mouse | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 467 | 14 | 4 | 7 | 3.7 | COc1cc(CCNC[C@@H](O)COc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | |||
| CHEMBL4470694 | 336490 | 0 | None | -2 | 2 | Mouse | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 467 | 14 | 4 | 7 | 3.7 | COc1cc(CCNC[C@@H](O)COc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | |||
| 16737412 | 176705 | 0 | None | -3 | 2 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@@H](Cc1ccccc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | |||
| CHEMBL229388 | 176705 | 0 | None | -3 | 2 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@@H](Cc1ccccc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | |||
| 175 | 7426 | 39 | None | -676 | 24 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 383 | 6 | 1 | 4 | 3.0 | Fc1ccc(cc1)OCCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.6019/CHEMBL5442175 | |||
| 68186 | 7426 | 39 | None | -676 | 24 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 383 | 6 | 1 | 4 | 3.0 | Fc1ccc(cc1)OCCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.6019/CHEMBL5442175 | |||
| CHEMBL79834 | 7426 | 39 | None | -676 | 24 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 383 | 6 | 1 | 4 | 3.0 | Fc1ccc(cc1)OCCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.6019/CHEMBL5442175 | |||
| 16737412 | 176705 | 0 | None | -3 | 2 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@@H](Cc1ccccc1)NC[C@H](O)c1cc(O)cc(O)c1 | nan | |||
| CHEMBL229388 | 176705 | 0 | None | -3 | 2 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@@H](Cc1ccccc1)NC[C@H](O)c1cc(O)cc(O)c1 | nan | |||
| 16736092 | 176706 | 0 | None | -1 | 2 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@@H](Cc1ccccc1)NC[C@@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | |||
| CHEMBL229390 | 176706 | 0 | None | -1 | 2 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@@H](Cc1ccccc1)NC[C@@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | |||
| 16736092 | 176706 | 0 | None | -1 | 2 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@@H](Cc1ccccc1)NC[C@@H](O)c1cc(O)cc(O)c1 | nan | |||
| CHEMBL229390 | 176706 | 0 | None | -1 | 2 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@@H](Cc1ccccc1)NC[C@@H](O)c1cc(O)cc(O)c1 | nan | |||
| 1239 | 3447 | 41 | None | -12 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.06.014 | |||
| 3410 | 3447 | 41 | None | -12 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.06.014 | |||
| 3465 | 3447 | 41 | None | -12 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.06.014 | |||
| CHEMBL1256786 | 3447 | 41 | None | -12 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.06.014 | |||
| DB00983 | 3447 | 41 | None | -12 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.06.014 | |||
| 153287553 | 335645 | 0 | None | -501 | 6 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 264 | 1 | 1 | 2 | 3.7 | C[C@@]12CN(c3ccccc3)c3ccccc3[C@@H]1CCN2 | 10.1021/acsmedchemlett.9b00225 | |||
| CHEMBL4457754 | 335645 | 0 | None | -501 | 6 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 264 | 1 | 1 | 2 | 3.7 | C[C@@]12CN(c3ccccc3)c3ccccc3[C@@H]1CCN2 | 10.1021/acsmedchemlett.9b00225 | |||
| 10287658 | 221742 | 0 | None | -25 | 2 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 408 | 10 | 5 | 6 | 3.5 | COc1ccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1 | 10.1016/j.bmcl.2014.04.069 | |||
| CHEMBL3290984 | 221742 | 0 | None | -25 | 2 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 408 | 10 | 5 | 6 | 3.5 | COc1ccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1 | 10.1016/j.bmcl.2014.04.069 | |||
| 90644154 | 221743 | 0 | None | -5 | 2 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 428 | 9 | 5 | 5 | 4.6 | OCc1cc(C(O)CNCCc2ccc(Nc3cccc4ccccc34)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | |||
| CHEMBL3290985 | 221743 | 0 | None | -5 | 2 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 428 | 9 | 5 | 5 | 4.6 | OCc1cc(C(O)CNCCc2ccc(Nc3cccc4ccccc34)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | |||
| 10310047 | 221750 | 0 | None | -199 | 2 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 422 | 11 | 5 | 6 | 3.9 | CCOc1ccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1 | 10.1016/j.bmcl.2014.04.069 | |||
| CHEMBL3290991 | 221750 | 0 | None | -199 | 2 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 422 | 11 | 5 | 6 | 3.9 | CCOc1ccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1 | 10.1016/j.bmcl.2014.04.069 | |||
| 1239 | 3447 | 41 | None | -12 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2010.06.136 | |||
| 3410 | 3447 | 41 | None | -12 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2010.06.136 | |||
| 3465 | 3447 | 41 | None | -12 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2010.06.136 | |||
| CHEMBL1256786 | 3447 | 41 | None | -12 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2010.06.136 | |||
| DB00983 | 3447 | 41 | None | -12 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2010.06.136 | |||
| 46889854 | 21628 | 0 | None | -104 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 446 | 7 | 2 | 4 | 4.8 | O=C(c1ccc(F)cc1)C1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL1086077 | 21628 | 0 | None | -104 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 446 | 7 | 2 | 4 | 4.8 | O=C(c1ccc(F)cc1)C1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| 10140996 | 310925 | 0 | None | -398 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 486 | 11 | 5 | 7 | 3.0 | COc1ccc([C@@H](Cc2ccccc2)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1O | 10.1016/j.bmcl.2007.05.030 | |||
| CHEMBL400947 | 310925 | 0 | None | -398 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 486 | 11 | 5 | 7 | 3.0 | COc1ccc([C@@H](Cc2ccccc2)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1O | 10.1016/j.bmcl.2007.05.030 | |||
| 1588 | 4738 | 26 | None | -169 | 28 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | |||
| 28864 | 4738 | 26 | None | -169 | 28 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | |||
| 43 | 4738 | 26 | None | -169 | 28 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | |||
| CHEMBL157138 | 4738 | 26 | None | -169 | 28 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | |||
| DB00589 | 4738 | 26 | None | -169 | 28 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | |||
| 2723 | 123170 | 6 | None | -2 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 345 | 5 | 3 | 6 | 2.6 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | 10.1021/jm990012z | |||
| 65772 | 123170 | 6 | None | -2 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 345 | 5 | 3 | 6 | 2.6 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | 10.1021/jm990012z | |||
| CHEMBL174984 | 123170 | 6 | None | -2 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 345 | 5 | 3 | 6 | 2.6 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | 10.1021/jm990012z | |||
| DB13692 | 123170 | 6 | None | -2 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 345 | 5 | 3 | 6 | 2.6 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | 10.1021/jm990012z | |||
| 2723 | 123170 | 6 | None | -2 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 345 | 5 | 3 | 6 | 2.6 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | 10.1021/jm960208o | |||
| 65772 | 123170 | 6 | None | -2 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 345 | 5 | 3 | 6 | 2.6 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | 10.1021/jm960208o | |||
| CHEMBL174984 | 123170 | 6 | None | -2 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 345 | 5 | 3 | 6 | 2.6 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | 10.1021/jm960208o | |||
| DB13692 | 123170 | 6 | None | -2 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 345 | 5 | 3 | 6 | 2.6 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | 10.1021/jm960208o | |||
| 14925759 | 313920 | 6 | None | -11220 | 13 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 349 | 5 | 0 | 3 | 3.2 | O=C1CCc2ccccc2N1CCCN1CCN(c2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | |||
| CHEMBL4085780 | 313920 | 6 | None | -11220 | 13 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 349 | 5 | 0 | 3 | 3.2 | O=C1CCc2ccccc2N1CCCN1CCN(c2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | |||
| 52943362 | 41418 | 0 | None | -8 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 466 | 8 | 2 | 8 | 4.4 | OC(CNC1CCN(c2ncnc3scc(-c4cccs4)c23)CC1)COc1ccccc1 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1258025 | 41418 | 0 | None | -8 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 466 | 8 | 2 | 8 | 4.4 | OC(CNC1CCN(c2ncnc3scc(-c4cccs4)c23)CC1)COc1ccccc1 | 10.1016/j.bmcl.2010.08.039 | |||
| 118710945 | 232783 | 0 | None | -2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 398 | 6 | 4 | 5 | 3.8 | CCc1cccc([C@H]2CCC[C@H]2NC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2014.06.014 | |||
| CHEMBL3323663 | 232783 | 0 | None | -2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 398 | 6 | 4 | 5 | 3.8 | CCc1cccc([C@H]2CCC[C@H]2NC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2014.06.014 | |||
| 155529870 | 336042 | 0 | None | -30 | 2 | Mouse | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 516 | 17 | 3 | 8 | 4.5 | COc1cc(CCNC[C@@H](O)COc2cccc3ccccc23)ccc1OCCCSSCCN | 10.1016/j.bmc.2019.05.034 | |||
| CHEMBL4463925 | 336042 | 0 | None | -30 | 2 | Mouse | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 516 | 17 | 3 | 8 | 4.5 | COc1cc(CCNC[C@@H](O)COc2cccc3ccccc23)ccc1OCCCSSCCN | 10.1016/j.bmc.2019.05.034 | |||
| 49864381 | 39525 | 0 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 380 | 5 | 4 | 5 | 3.8 | C[C@H](NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)c1ccc2ccccc2c1 | 10.1016/j.bmcl.2010.06.136 | |||
| CHEMBL1221638 | 39525 | 0 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 380 | 5 | 4 | 5 | 3.8 | C[C@H](NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)c1ccc2ccccc2c1 | 10.1016/j.bmcl.2010.06.136 | |||
| 44361777 | 237378 | 0 | None | -3 | 2 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 429 | 7 | 2 | 7 | 2.3 | COc1ccccc1N1CCN(CC(O)COc2cccc3c2SCC(=O)N3)CC1 | 10.1016/s0960-894x(00)00016-0 | |||
| CHEMBL341614 | 237378 | 0 | None | -3 | 2 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 429 | 7 | 2 | 7 | 2.3 | COc1ccccc1N1CCN(CC(O)COc2cccc3c2SCC(=O)N3)CC1 | 10.1016/s0960-894x(00)00016-0 | |||
| 155511898 | 334169 | 0 | None | -12 | 2 | Mouse | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 360 | 8 | 2 | 3 | 4.5 | COc1ccccc1OCCNCCc1cccc2[nH]c3ccccc3c12 | 10.1021/acs.jmedchem.9b00349 | |||
| CHEMBL4436343 | 334169 | 0 | None | -12 | 2 | Mouse | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 360 | 8 | 2 | 3 | 4.5 | COc1ccccc1OCCNCCc1cccc2[nH]c3ccccc3c12 | 10.1021/acs.jmedchem.9b00349 | |||
| 123133225 | 291555 | 0 | None | -5 | 2 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 302 | 6 | 5 | 5 | 1.9 | C[C@@H](Cc1cccc(N)c1)NC[C@H](O)c1cc(O)cc(O)c1 | nan | |||
| CHEMBL3909417 | 291555 | 0 | None | -5 | 2 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 302 | 6 | 5 | 5 | 1.9 | C[C@@H](Cc1cccc(N)c1)NC[C@H](O)c1cc(O)cc(O)c1 | nan | |||
| 16735263 | 176715 | 0 | None | -5 | 2 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 302 | 6 | 5 | 5 | 1.9 | C[C@@H](Cc1ccc(N)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | |||
| CHEMBL229442 | 176715 | 0 | None | -5 | 2 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 302 | 6 | 5 | 5 | 1.9 | C[C@@H](Cc1ccc(N)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | |||
| 123133222 | 308877 | 0 | None | -6 | 2 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1cccc(C[C@@H](C)NC[C@@H](O)c2cc(O)cc(O)c2)c1 | nan | |||
| CHEMBL4108239 | 308877 | 0 | None | -6 | 2 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1cccc(C[C@@H](C)NC[C@@H](O)c2cc(O)cc(O)c2)c1 | nan | |||
| 16735261 | 176666 | 0 | None | -47 | 2 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@@H](C)NC[C@@H](O)c2cc(O)cc(O)c2)cc1 | 10.1021/jm070030d | |||
| CHEMBL228998 | 176666 | 0 | None | -47 | 2 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@@H](C)NC[C@@H](O)c2cc(O)cc(O)c2)cc1 | 10.1021/jm070030d | |||
| 16735495 | 176709 | 0 | None | -14 | 2 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1 | nan | |||
| CHEMBL229401 | 176709 | 0 | None | -14 | 2 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1 | nan | |||
| 16735495 | 176709 | 0 | None | -14 | 2 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | |||
| CHEMBL229401 | 176709 | 0 | None | -14 | 2 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | |||
| 44396798 | 333976 | 0 | None | -30 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 542 | 10 | 5 | 7 | 3.2 | C[C@H](Cc1c[nH]c2c(S(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccc(N)c2)c1 | 10.1016/j.bmcl.2004.09.054 | |||
| CHEMBL442225 | 333976 | 0 | None | -30 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 542 | 10 | 5 | 7 | 3.2 | C[C@H](Cc1c[nH]c2c(S(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccc(N)c2)c1 | 10.1016/j.bmcl.2004.09.054 | |||
| 155521528 | 335155 | 0 | None | -1 | 2 | Mouse | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 376 | 8 | 3 | 4 | 4.0 | COc1ccccc1OCCNC[C@@H](O)c1cccc2[nH]c3ccccc3c12 | 10.1021/acs.jmedchem.9b00349 | |||
| CHEMBL4450756 | 335155 | 0 | None | -1 | 2 | Mouse | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 376 | 8 | 3 | 4 | 4.0 | COc1ccccc1OCCNC[C@@H](O)c1cccc2[nH]c3ccccc3c12 | 10.1021/acs.jmedchem.9b00349 | |||
| 118710944 | 232782 | 0 | None | -2 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 384 | 5 | 4 | 5 | 3.6 | Cc1ccc([C@H]2CCC[C@H]2NC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2014.06.014 | |||
| CHEMBL3323662 | 232782 | 0 | None | -2 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 384 | 5 | 4 | 5 | 3.6 | Cc1ccc([C@H]2CCC[C@H]2NC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2014.06.014 | |||
| 15221053 | 469494 | 0 | None | -2 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 364 | 11 | 3 | 6 | 2.1 | C[C@H](Cc1ncc(CCC(=O)O)s1)NC[C@H](O)COc1ccccc1 | 10.1016/0960-894X(96)00417-9 | |||
| CHEMBL73220 | 469494 | 0 | None | -2 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 364 | 11 | 3 | 6 | 2.1 | C[C@H](Cc1ncc(CCC(=O)O)s1)NC[C@H](O)COc1ccccc1 | 10.1016/0960-894X(96)00417-9 | |||
| 24937269 | 41516 | 0 | None | -1949 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 490 | 9 | 3 | 8 | 3.8 | OCc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1258371 | 41516 | 0 | None | -1949 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 490 | 9 | 3 | 8 | 3.8 | OCc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | |||
| 13864389 | 19405 | 0 | None | 8 | 2 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 195 | 1 | 3 | 4 | 0.7 | NCC1OCCc2cc(O)c(O)cc21 | 10.1021/jm00073a006 | |||
| CHEMBL105383 | 19405 | 0 | None | 8 | 2 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 195 | 1 | 3 | 4 | 0.7 | NCC1OCCc2cc(O)c(O)cc21 | 10.1021/jm00073a006 | |||
| 16736096 | 270646 | 0 | None | -19 | 2 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@H](Cc1cccc2ccccc12)NC[C@@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | |||
| CHEMBL388177 | 270646 | 0 | None | -19 | 2 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@H](Cc1cccc2ccccc12)NC[C@@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | |||
| 16736096 | 270646 | 0 | None | -19 | 2 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@H](Cc1cccc2ccccc12)NC[C@@H](O)c1cc(O)cc(O)c1 | nan | |||
| CHEMBL388177 | 270646 | 0 | None | -19 | 2 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@H](Cc1cccc2ccccc12)NC[C@@H](O)c1cc(O)cc(O)c1 | nan | |||
| 49864355 | 39511 | 0 | None | -1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 374 | 5 | 4 | 5 | 3.1 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCC34CC5CC(CC(C5)C3)C4)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
| CHEMBL1221586 | 39511 | 0 | None | -1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 374 | 5 | 4 | 5 | 3.1 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCC34CC5CC(CC(C5)C3)C4)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
| 172745 | 200298 | 2 | None | -2 | 4 | Guinea pig | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NCC(O)c1ccc(O)c(O)c1F | 10.1021/jm00118a019 | |||
| CHEMBL287587 | 200298 | 2 | None | -2 | 4 | Guinea pig | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NCC(O)c1ccc(O)c(O)c1F | 10.1021/jm00118a019 | |||
| 24936488 | 41518 | 0 | None | -2 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 414 | 7 | 3 | 8 | 2.7 | Cc1csc2ncnc(N3CCC(NCC(O)COc4ccc(O)cc4)CC3)c12 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1258373 | 41518 | 0 | None | -2 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 414 | 7 | 3 | 8 | 2.7 | Cc1csc2ncnc(N3CCC(NCC(O)COc4ccc(O)cc4)CC3)c12 | 10.1016/j.bmcl.2010.08.039 | |||
| 145947241 | 332400 | 0 | None | None | None | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 449 | 10 | 2 | 7 | 3.5 | COc1ccc(CCNCC(O)COc2cccc3c(=O)c4ccccc4oc23)cc1OC | 10.1016/j.bmc.2018.04.038 | |||
| CHEMBL4301544 | 332400 | 0 | None | None | None | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 449 | 10 | 2 | 7 | 3.5 | COc1ccc(CCNCC(O)COc2cccc3c(=O)c4ccccc4oc23)cc1OC | 10.1016/j.bmc.2018.04.038 | |||
| 145947927 | 332520 | 0 | None | None | None | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 419 | 9 | 2 | 6 | 3.5 | COc1ccccc1CCNCC(O)COc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2018.04.038 | |||
| CHEMBL4302997 | 332520 | 0 | None | None | None | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 419 | 9 | 2 | 6 | 3.5 | COc1ccccc1CCNCC(O)COc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2018.04.038 | |||
| 10376053 | 27394 | 0 | None | -2 | 3 | Guinea pig | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 217 | 1 | 1 | 5 | 0.4 | Cc1cnc(N2CCNCC2)c2nccn12 | 10.1021/jm00099a012 | |||
| CHEMBL1190547 | 27394 | 0 | None | -2 | 3 | Guinea pig | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 217 | 1 | 1 | 5 | 0.4 | Cc1cnc(N2CCNCC2)c2nccn12 | 10.1021/jm00099a012 | |||
| 10292413 | 194689 | 0 | None | -7 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 367 | 9 | 2 | 6 | 3.6 | CC(C)c1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)co1 | 10.1016/j.bmcl.2007.06.072 | |||
| CHEMBL250352 | 194689 | 0 | None | -7 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 367 | 9 | 2 | 6 | 3.6 | CC(C)c1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)co1 | 10.1016/j.bmcl.2007.06.072 | |||
| 10162297 | 309992 | 0 | None | -33 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 470 | 11 | 4 | 6 | 3.2 | COc1cccc([C@@H](Cc2ccccc2)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)c1 | 10.1016/j.bmcl.2007.05.030 | |||
| CHEMBL398322 | 309992 | 0 | None | -33 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 470 | 11 | 4 | 6 | 3.2 | COc1cccc([C@@H](Cc2ccccc2)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)c1 | 10.1016/j.bmcl.2007.05.030 | |||
| 9947512 | 310737 | 0 | None | None | None | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 369 | 9 | 2 | 6 | 3.5 | CCc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)cs1 | 10.1016/j.bmcl.2007.06.072 | |||
| CHEMBL399785 | 310737 | 0 | None | None | None | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 369 | 9 | 2 | 6 | 3.5 | CCc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)cs1 | 10.1016/j.bmcl.2007.06.072 | |||
| 1534 | 193827 | 24 | None | -37 | 11 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 174 | 2 | 2 | 1 | 2.1 | CC(N)Cc1c[nH]c2ccccc12 | 10.1016/j.bmcl.2013.03.066 | |||
| 9287 | 193827 | 24 | None | -37 | 11 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 174 | 2 | 2 | 1 | 2.1 | CC(N)Cc1c[nH]c2ccccc12 | 10.1016/j.bmcl.2013.03.066 | |||
| CHEMBL30713 | 193827 | 24 | None | -37 | 11 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 174 | 2 | 2 | 1 | 2.1 | CC(N)Cc1c[nH]c2ccccc12 | 10.1016/j.bmcl.2013.03.066 | |||
| DB01446 | 193827 | 24 | None | -37 | 11 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 174 | 2 | 2 | 1 | 2.1 | CC(N)Cc1c[nH]c2ccccc12 | 10.1016/j.bmcl.2013.03.066 | |||
| 1534 | 193827 | 24 | None | -37 | 11 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 174 | 2 | 2 | 1 | 2.1 | CC(N)Cc1c[nH]c2ccccc12 | 10.1016/j.bmcl.2013.03.066 | |||
| 9287 | 193827 | 24 | None | -37 | 11 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 174 | 2 | 2 | 1 | 2.1 | CC(N)Cc1c[nH]c2ccccc12 | 10.1016/j.bmcl.2013.03.066 | |||
| CHEMBL30713 | 193827 | 24 | None | -37 | 11 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 174 | 2 | 2 | 1 | 2.1 | CC(N)Cc1c[nH]c2ccccc12 | 10.1016/j.bmcl.2013.03.066 | |||
| DB01446 | 193827 | 24 | None | -37 | 11 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 174 | 2 | 2 | 1 | 2.1 | CC(N)Cc1c[nH]c2ccccc12 | 10.1016/j.bmcl.2013.03.066 | |||
| 25032872 | 176297 | 0 | None | -102 | 2 | Rat | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 397 | 6 | 1 | 6 | 0.9 | O=C1C2C3C=CC(C3)C2C(=O)N1OCC(O)CN1CCN(c2ccccc2)CC1 | 10.1007/s00044-008-9094-3 | |||
| CHEMBL2261429 | 176297 | 0 | None | -102 | 2 | Rat | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 397 | 6 | 1 | 6 | 0.9 | O=C1C2C3C=CC(C3)C2C(=O)N1OCC(O)CN1CCN(c2ccccc2)CC1 | 10.1007/s00044-008-9094-3 | |||
| 49864334 | 39505 | 0 | None | -1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 336 | 5 | 4 | 5 | 2.9 | C[C@H](NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)C1CCCCC1 | 10.1016/j.bmcl.2010.06.136 | |||
| CHEMBL1221542 | 39505 | 0 | None | -1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 336 | 5 | 4 | 5 | 2.9 | C[C@H](NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)C1CCCCC1 | 10.1016/j.bmcl.2010.06.136 | |||
| 118710938 | 231968 | 0 | None | -6 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 376 | 5 | 4 | 5 | 3.7 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCC[C@H]3C3CCCCC3)c2s1 | 10.1016/j.bmcl.2014.06.014 | |||
| CHEMBL3323656 | 231968 | 0 | None | -6 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 376 | 5 | 4 | 5 | 3.7 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCC[C@H]3C3CCCCC3)c2s1 | 10.1016/j.bmcl.2014.06.014 | |||
| 183812 | 470556 | 21 | None | -977 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 464 | 13 | 3 | 8 | 2.9 | O=S(=O)(CCCOCCc1ccccc1)CCNCCc1ccc(O)c2nc(O)sc12 | 10.1016/j.bmcl.2012.07.096 | |||
| CHEMBL82663 | 470556 | 21 | None | -977 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 464 | 13 | 3 | 8 | 2.9 | O=S(=O)(CCCOCCc1ccccc1)CCNCCc1ccc(O)c2nc(O)sc12 | 10.1016/j.bmcl.2012.07.096 | |||
| 24937137 | 41627 | 0 | None | -23 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 430 | 8 | 4 | 9 | 1.9 | OCc1cc(OCC(O)CNC2CCN(c3ncnc4ccsc34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1258707 | 41627 | 0 | None | -23 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 430 | 8 | 4 | 9 | 1.9 | OCc1cc(OCC(O)CNC2CCN(c3ncnc4ccsc34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | |||
| 11248705 | 181119 | 0 | None | -158 | 10 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 483 | 6 | 1 | 5 | 5.0 | Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4F)NC(=O)CO5)CC3)cc(Cl)cc2n1 | 10.1016/j.bmcl.2006.11.031 | |||
| CHEMBL238519 | 181119 | 0 | None | -158 | 10 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 483 | 6 | 1 | 5 | 5.0 | Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4F)NC(=O)CO5)CC3)cc(Cl)cc2n1 | 10.1016/j.bmcl.2006.11.031 | |||
| 9512 | 7386 | 37 | None | 3 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 410 | 9 | 4 | 4 | 4.4 | Clc1cccc(c1)[C@H](CNCCNc1cccc(c1)c1cccc(c1)C(=O)O)O | 10.1021/jm0509445 | |||
| 9887812 | 7386 | 37 | None | 3 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 410 | 9 | 4 | 4 | 4.4 | Clc1cccc(c1)[C@H](CNCCNc1cccc(c1)c1cccc(c1)C(=O)O)O | 10.1021/jm0509445 | |||
| CHEMBL208427 | 7386 | 37 | None | 3 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 410 | 9 | 4 | 4 | 4.4 | Clc1cccc(c1)[C@H](CNCCNc1cccc(c1)c1cccc(c1)C(=O)O)O | 10.1021/jm0509445 | |||
| DB06190 | 7386 | 37 | None | 3 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 410 | 9 | 4 | 4 | 4.4 | Clc1cccc(c1)[C@H](CNCCNc1cccc(c1)c1cccc(c1)C(=O)O)O | 10.1021/jm0509445 | |||
| 90644140 | 221753 | 0 | None | -25 | 2 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 394 | 9 | 6 | 6 | 3.2 | OCc1cc(C(O)CNCCc2ccc(Nc3ccc(O)cc3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | |||
| CHEMBL3290994 | 221753 | 0 | None | -25 | 2 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 394 | 9 | 6 | 6 | 3.2 | OCc1cc(C(O)CNCCc2ccc(Nc3ccc(O)cc3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | |||
| 135409453 | 8225 | 26 | None | -501 | 19 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.6019/CHEMBL5442175 | |||
| 226 | 8225 | 26 | None | -501 | 19 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.6019/CHEMBL5442175 | |||
| 2579 | 8225 | 26 | None | -501 | 19 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.6019/CHEMBL5442175 | |||
| 5362436 | 8225 | 26 | None | -501 | 19 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.6019/CHEMBL5442175 | |||
| CHEMBL76370 | 8225 | 26 | None | -501 | 19 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.6019/CHEMBL5442175 | |||
| DB01079 | 8225 | 26 | None | -501 | 19 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.6019/CHEMBL5442175 | |||
| 25242457 | 26866 | 0 | None | None | None | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 373 | 8 | 4 | 7 | 1.0 | CC(CO)(CO)NCC(O)COc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2008.12.031 | |||
| CHEMBL1186915 | 26866 | 0 | None | None | None | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 373 | 8 | 4 | 7 | 1.0 | CC(CO)(CO)NCC(O)COc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2008.12.031 | |||
| 118710950 | 232790 | 0 | None | -2 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 402 | 10 | 4 | 6 | 3.3 | CCCCOc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2014.06.014 | |||
| CHEMBL3323670 | 232790 | 0 | None | -2 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 402 | 10 | 4 | 6 | 3.3 | CCCCOc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2014.06.014 | |||
| 118710937 | 231967 | 0 | None | -19 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 376 | 5 | 4 | 5 | 3.7 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@@H]3C3CCCCC3)c2s1 | 10.1016/j.bmcl.2014.06.014 | |||
| CHEMBL3323655 | 231967 | 0 | None | -19 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 376 | 5 | 4 | 5 | 3.7 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@@H]3C3CCCCC3)c2s1 | 10.1016/j.bmcl.2014.06.014 | |||
| 49864412 | 39532 | 0 | None | -5 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 414 | 7 | 4 | 6 | 3.4 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCCC[C@H]3OCc3ccccc3)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
| CHEMBL1221732 | 39532 | 0 | None | -5 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 414 | 7 | 4 | 6 | 3.4 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCCC[C@H]3OCc3ccccc3)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
| 10947658 | 62361 | 0 | None | -363 | 16 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 335 | 1 | 1 | 2 | 3.0 | C[C@H]1C[C@@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1 | 10.1021/jm020153s | |||
| CHEMBL137781 | 62361 | 0 | None | -363 | 16 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 335 | 1 | 1 | 2 | 3.0 | C[C@H]1C[C@@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1 | 10.1021/jm020153s | |||
| 1960 | 5823 | 49 | None | -10 | 26 | Guinea pig | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00118a019 | |||
| 439260 | 5823 | 49 | None | -10 | 26 | Guinea pig | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00118a019 | |||
| 505 | 5823 | 49 | None | -10 | 26 | Guinea pig | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00118a019 | |||
| 6921840 | 5823 | 49 | None | -10 | 26 | Guinea pig | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00118a019 | |||
| CHEMBL1437 | 5823 | 49 | None | -10 | 26 | Guinea pig | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00118a019 | |||
| DB00368 | 5823 | 49 | None | -10 | 26 | Guinea pig | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00118a019 | |||
| 10376607 | 27617 | 0 | None | -1 | 2 | Guinea pig | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 231 | 1 | 1 | 5 | 0.8 | Cc1cnc(N2CCNCC2)c2ncc(C)n12 | 10.1021/jm00099a012 | |||
| CHEMBL1192423 | 27617 | 0 | None | -1 | 2 | Guinea pig | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 231 | 1 | 1 | 5 | 0.8 | Cc1cnc(N2CCNCC2)c2ncc(C)n12 | 10.1021/jm00099a012 | |||
| 131268 | 222362 | 19 | None | -26 | 3 | Guinea pig | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 203 | 1 | 1 | 5 | 0.1 | c1cn2ccnc2c(N2CCNCC2)n1 | 10.1021/jm00099a012 | |||
| CHEMBL331036 | 222362 | 19 | None | -26 | 3 | Guinea pig | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 203 | 1 | 1 | 5 | 0.1 | c1cn2ccnc2c(N2CCNCC2)n1 | 10.1021/jm00099a012 | |||
| 9967732 | 194576 | 0 | None | -19 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 339 | 8 | 2 | 6 | 2.7 | Cc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)co1 | 10.1016/j.bmcl.2007.06.072 | |||
| CHEMBL249534 | 194576 | 0 | None | -19 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 339 | 8 | 2 | 6 | 2.7 | Cc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)co1 | 10.1016/j.bmcl.2007.06.072 | |||
| 9946573 | 310778 | 0 | None | -10 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 353 | 9 | 2 | 6 | 3.0 | CCc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)co1 | 10.1016/j.bmcl.2007.06.072 | |||
| CHEMBL400049 | 310778 | 0 | None | -10 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 353 | 9 | 2 | 6 | 3.0 | CCc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)co1 | 10.1016/j.bmcl.2007.06.072 | |||
| 127901 | 202226 | 5 | None | None | None | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 185 | 3 | 3 | 3 | 0.8 | CNCC(O)c1cccc(O)c1F | 10.1021/jm00076a024 | |||
| CHEMBL302451 | 202226 | 5 | None | None | None | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 185 | 3 | 3 | 3 | 0.8 | CNCC(O)c1cccc(O)c1F | 10.1021/jm00076a024 | |||
| 13864381 | 475169 | 1 | None | -39 | 4 | Rat | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 195 | 1 | 3 | 4 | 0.7 | NCC1OCCc2c1ccc(O)c2O | 10.1021/jm00073a006 | |||
| CHEMBL99361 | 475169 | 1 | None | -39 | 4 | Rat | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 195 | 1 | 3 | 4 | 0.7 | NCC1OCCc2c1ccc(O)c2O | 10.1021/jm00073a006 | |||
| 122237 | 328190 | 6 | None | None | None | Rat | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 171 | 2 | 3 | 3 | 0.7 | NCCc1cc(O)c(O)cc1F | 10.1021/jm990599h | |||
| CHEMBL41818 | 328190 | 6 | None | None | None | Rat | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 171 | 2 | 3 | 3 | 0.7 | NCCc1cc(O)c(O)cc1F | 10.1021/jm990599h | |||
| 1960 | 5823 | 49 | None | -33 | 26 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.6019/CHEMBL5442175 | |||
| 439260 | 5823 | 49 | None | -33 | 26 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.6019/CHEMBL5442175 | |||
| 505 | 5823 | 49 | None | -33 | 26 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.6019/CHEMBL5442175 | |||
| 6921840 | 5823 | 49 | None | -33 | 26 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.6019/CHEMBL5442175 | |||
| CHEMBL1437 | 5823 | 49 | None | -33 | 26 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.6019/CHEMBL5442175 | |||
| DB00368 | 5823 | 49 | None | -33 | 26 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.6019/CHEMBL5442175 | |||
| 44444193 | 309903 | 0 | None | -15 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 548 | 13 | 4 | 7 | 4.3 | COc1ccc([C@H](CCc2cccc(Cl)c2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | |||
| CHEMBL398241 | 309903 | 0 | None | -15 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 548 | 13 | 4 | 7 | 4.3 | COc1ccc([C@H](CCc2cccc(Cl)c2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | |||
| 11625333 | 159242 | 0 | None | -2 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 392 | 4 | 4 | 4 | 3.3 | Cc1c(C)c(C)c2c(c1C)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 | 10.1016/j.bmcl.2012.07.096 | |||
| CHEMBL2088200 | 159242 | 0 | None | -2 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 392 | 4 | 4 | 4 | 3.3 | Cc1c(C)c(C)c2c(c1C)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 | 10.1016/j.bmcl.2012.07.096 | |||
| 1978 | 515 | 40 | None | -15 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 336 | 10 | 3 | 5 | 3.0 | CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O | nan | |||
| 40 | 515 | 40 | None | -15 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 336 | 10 | 3 | 5 | 3.0 | CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O | nan | |||
| 7107 | 515 | 40 | None | -15 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 336 | 10 | 3 | 5 | 3.0 | CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O | nan | |||
| CHEMBL642 | 515 | 40 | None | -15 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 336 | 10 | 3 | 5 | 3.0 | CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O | nan | |||
| DB01193 | 515 | 40 | None | -15 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 336 | 10 | 3 | 5 | 3.0 | CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O | nan | |||
| 16737588 | 176734 | 0 | None | -4 | 2 | Rat | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 273 | 6 | 4 | 4 | 2.0 | Oc1cc(O)cc([C@@H](O)CNCCc2ccccc2)c1 | nan | |||
| CHEMBL229620 | 176734 | 0 | None | -4 | 2 | Rat | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 273 | 6 | 4 | 4 | 2.0 | Oc1cc(O)cc([C@@H](O)CNCCc2ccccc2)c1 | nan | |||
| 16737588 | 176734 | 0 | None | -4 | 2 | Rat | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 273 | 6 | 4 | 4 | 2.0 | Oc1cc(O)cc([C@@H](O)CNCCc2ccccc2)c1 | 10.1021/jm070030d | |||
| CHEMBL229620 | 176734 | 0 | None | -4 | 2 | Rat | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 273 | 6 | 4 | 4 | 2.0 | Oc1cc(O)cc([C@@H](O)CNCCc2ccccc2)c1 | 10.1021/jm070030d | |||
| 44396596 | 251381 | 0 | None | -3 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 485 | 10 | 4 | 6 | 4.3 | COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.10.035 | |||
| CHEMBL361505 | 251381 | 0 | None | -3 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 485 | 10 | 4 | 6 | 4.3 | COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.10.035 | |||
| 2249 | 1058 | 67 | None | 1 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm8007618 | |||
| 255 | 1058 | 67 | None | 1 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm8007618 | |||
| 548 | 1058 | 67 | None | 1 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm8007618 | |||
| CHEMBL24 | 1058 | 67 | None | 1 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm8007618 | |||
| DB00335 | 1058 | 67 | None | 1 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm8007618 | |||
| 52944986 | 41482 | 0 | None | -30 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 478 | 8 | 2 | 7 | 4.5 | OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1ccccc1F | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1258257 | 41482 | 0 | None | -30 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 478 | 8 | 2 | 7 | 4.5 | OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1ccccc1F | 10.1016/j.bmcl.2010.08.039 | |||
| 118710946 | 232784 | 0 | None | -1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 414 | 7 | 4 | 6 | 3.7 | CCOc1cccc([C@H]2CCC[C@H]2NC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2014.06.014 | |||
| CHEMBL3323664 | 232784 | 0 | None | -1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 414 | 7 | 4 | 6 | 3.7 | CCOc1cccc([C@H]2CCC[C@H]2NC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2014.06.014 | |||
| 44312421 | 328322 | 0 | None | -2 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 392 | 13 | 3 | 6 | 2.9 | C[C@H](Cc1ncc(CCCCC(=O)O)s1)NC[C@H](O)COc1ccccc1 | 10.1016/0960-894X(96)00417-9 | |||
| CHEMBL419085 | 328322 | 0 | None | -2 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 392 | 13 | 3 | 6 | 2.9 | C[C@H](Cc1ncc(CCCCC(=O)O)s1)NC[C@H](O)COc1ccccc1 | 10.1016/0960-894X(96)00417-9 | |||
| 46889767 | 21399 | 0 | None | -5 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 400 | 9 | 1 | 5 | 2.4 | C=CCc1ccccc1OCC(O)CN1CCC(CN2C(=O)CCCC2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL1085009 | 21399 | 0 | None | -5 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 400 | 9 | 1 | 5 | 2.4 | C=CCc1ccccc1OCC(O)CN1CCC(CN2C(=O)CCCC2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| 49783415 | 41547 | 0 | None | -5888 | 13 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 320 | 7 | 1 | 5 | 2.9 | CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1 | 10.1021/jm100668r | |||
| CHEMBL1258452 | 41547 | 0 | None | -5888 | 13 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 320 | 7 | 1 | 5 | 2.9 | CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1 | 10.1021/jm100668r | |||
| 10381669 | 26856 | 0 | None | None | None | Rat | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 325 | 7 | 2 | 5 | 2.5 | C=CCNCC(O)COc1ccc2c(=O)c3ccccc3oc2c1 | 10.1016/j.bmc.2008.12.031 | |||
| CHEMBL1186871 | 26856 | 0 | None | None | None | Rat | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 325 | 7 | 2 | 5 | 2.5 | C=CCNCC(O)COc1ccc2c(=O)c3ccccc3oc2c1 | 10.1016/j.bmc.2008.12.031 | |||
| 276 | 7142 | 30 | None | -3019 | 20 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 451 | 5 | 2 | 6 | 4.1 | COc1ccc(cc1N1CCNCC1)NS(=O)(=O)c1sc2c(c1C)cc(cc2)Cl | 10.6019/CHEMBL5442175 | |||
| 5312149 | 7142 | 30 | None | -3019 | 20 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 451 | 5 | 2 | 6 | 4.1 | COc1ccc(cc1N1CCNCC1)NS(=O)(=O)c1sc2c(c1C)cc(cc2)Cl | 10.6019/CHEMBL5442175 | |||
| CHEMBL431298 | 7142 | 30 | None | -3019 | 20 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 451 | 5 | 2 | 6 | 4.1 | COc1ccc(cc1N1CCNCC1)NS(=O)(=O)c1sc2c(c1C)cc(cc2)Cl | 10.6019/CHEMBL5442175 | |||
| 52949934 | 41517 | 0 | None | -5 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 398 | 7 | 2 | 7 | 3.0 | Cc1csc2ncnc(N3CCC(NCC(O)COc4ccccc4)CC3)c12 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1258372 | 41517 | 0 | None | -5 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 398 | 7 | 2 | 7 | 3.0 | Cc1csc2ncnc(N3CCC(NCC(O)COc4ccccc4)CC3)c12 | 10.1016/j.bmcl.2010.08.039 | |||
| 49864415 | 39535 | 0 | None | -117 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 362 | 4 | 4 | 5 | 3.1 | CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](NC[C@H](O)c1ccc(O)c3[nH]c(=O)sc13)C2 | 10.1016/j.bmcl.2010.06.136 | |||
| CHEMBL1221735 | 39535 | 0 | None | -117 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 362 | 4 | 4 | 5 | 3.1 | CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](NC[C@H](O)c1ccc(O)c3[nH]c(=O)sc13)C2 | 10.1016/j.bmcl.2010.06.136 | |||
| 1862 | 329 | 10 | None | -52 | 5 | Rat | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NCC(c1cc(O)c(cc1F)O)O | 10.1021/jm00076a024 | |||
| 510 | 329 | 10 | None | -52 | 5 | Rat | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NCC(c1cc(O)c(cc1F)O)O | 10.1021/jm00076a024 | |||
| CHEMBL281232 | 329 | 10 | None | -52 | 5 | Rat | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NCC(c1cc(O)c(cc1F)O)O | 10.1021/jm00076a024 | |||
| 46889642 | 21284 | 0 | None | -3 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 483 | 7 | 2 | 5 | 4.1 | O=C1c2cccc3cccc(c23)C(=O)N1CC1CCN(CC(O)COc2ccc3[nH]ccc3c2)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL1084527 | 21284 | 0 | None | -3 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 483 | 7 | 2 | 5 | 4.1 | O=C1c2cccc3cccc(c23)C(=O)N1CC1CCN(CC(O)COc2ccc3[nH]ccc3c2)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| 4806 | 8693 | 61 | None | -2 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 298 | 3 | 1 | 3 | 3.9 | Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1 | 10.1021/jm101459g | |||
| 71768094 | 8693 | 61 | None | -2 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 298 | 3 | 1 | 3 | 3.9 | Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1 | 10.1021/jm101459g | |||
| 7351 | 8693 | 61 | None | -2 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 298 | 3 | 1 | 3 | 3.9 | Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1 | 10.1021/jm101459g | |||
| 9966051 | 8693 | 61 | None | -2 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 298 | 3 | 1 | 3 | 3.9 | Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1 | 10.1021/jm101459g | |||
| CHEMBL2104993 | 8693 | 61 | None | -2 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 298 | 3 | 1 | 3 | 3.9 | Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1 | 10.1021/jm101459g | |||
| DB09068 | 8693 | 61 | None | -2 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 298 | 3 | 1 | 3 | 3.9 | Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1 | 10.1021/jm101459g | |||
| 52948792 | 41589 | 0 | None | -5 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 488 | 9 | 2 | 7 | 4.9 | CCc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1258596 | 41589 | 0 | None | -5 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 488 | 9 | 2 | 7 | 4.9 | CCc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | |||
| 25109291 | 366002 | 9 | None | -109647 | 12 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 327 | 1 | 2 | 6 | 1.7 | Nc1nc2c(c(N3CCNCC3)n1)CCC1=C2[C@@H]2CCCC[C@@H]2O1 | 10.6019/CHEMBL5442175 | |||
| CHEMBL519240 | 366002 | 9 | None | -109647 | 12 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 327 | 1 | 2 | 6 | 1.7 | Nc1nc2c(c(N3CCNCC3)n1)CCC1=C2[C@@H]2CCCC[C@@H]2O1 | 10.6019/CHEMBL5442175 | |||
| 44571264 | 26860 | 0 | None | None | None | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 407 | 8 | 4 | 7 | 1.7 | CC(CO)(CO)NCC(O)COc1cccc2c(=O)c3ccc(Cl)cc3oc12 | 10.1016/j.bmc.2008.12.031 | |||
| CHEMBL1186886 | 26860 | 0 | None | None | None | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 407 | 8 | 4 | 7 | 1.7 | CC(CO)(CO)NCC(O)COc1cccc2c(=O)c3ccc(Cl)cc3oc12 | 10.1016/j.bmc.2008.12.031 | |||
| 10207209 | 327790 | 0 | None | -309 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 500 | 12 | 4 | 7 | 3.3 | COc1ccc([C@H](Cc2ccccc2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | |||
| CHEMBL440961 | 327790 | 0 | None | -309 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 500 | 12 | 4 | 7 | 3.3 | COc1ccc([C@H](Cc2ccccc2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | |||
| 10324985 | 158429 | 6 | None | -354 | 17 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 423 | 7 | 0 | 8 | 1.7 | COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 | 10.1021/jm050725j | |||
| CHEMBL2068762 | 158429 | 6 | None | -354 | 17 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 423 | 7 | 0 | 8 | 1.7 | COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 | 10.1021/jm050725j | |||
| 16717791 | 159239 | 2 | None | -1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 376 | 6 | 3 | 3 | 3.7 | CCc1cc2c(cc1CC)CC(NCCc1ccc(O)c3[nH]c(=O)ccc13)C2 | 10.1016/j.bmcl.2012.07.096 | |||
| CHEMBL2088198 | 159239 | 2 | None | -1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 376 | 6 | 3 | 3 | 3.7 | CCc1cc2c(cc1CC)CC(NCCc1ccc(O)c3[nH]c(=O)ccc13)C2 | 10.1016/j.bmcl.2012.07.096 | |||
| 10236758 | 234707 | 4 | None | -48977 | 13 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 328 | 7 | 0 | 2 | 4.3 | CCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/acs.jmedchem.8b00265 | |||
| CHEMBL3354065 | 234707 | 4 | None | -48977 | 13 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 328 | 7 | 0 | 2 | 4.3 | CCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/acs.jmedchem.8b00265 | |||
| 44396568 | 139569 | 0 | None | -28 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 529 | 12 | 5 | 7 | 3.7 | C[C@H](Cc1c[nH]c2c(OCC(=O)O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | |||
| CHEMBL188196 | 139569 | 0 | None | -28 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 529 | 12 | 5 | 7 | 3.7 | C[C@H](Cc1c[nH]c2c(OCC(=O)O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | |||
| 360400 | 197578 | 0 | None | -1 | 2 | Rat | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 237 | 2 | 2 | 4 | 1.9 | CC(C)N1CCOC(c2ccc(O)c(O)c2)C1 | 10.1021/jm00084a006 | |||
| CHEMBL268881 | 197578 | 0 | None | -1 | 2 | Rat | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 237 | 2 | 2 | 4 | 1.9 | CC(C)N1CCOC(c2ccc(O)c(O)c2)C1 | 10.1021/jm00084a006 | |||
| 24937389 | 41319 | 0 | None | -478 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 520 | 10 | 3 | 9 | 4.2 | COCc1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1257675 | 41319 | 0 | None | -478 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 520 | 10 | 3 | 9 | 4.2 | COCc1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | |||
| 52948728 | 41318 | 0 | None | -8 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 400 | 7 | 3 | 8 | 2.4 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4sccc34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1257674 | 41318 | 0 | None | -8 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 400 | 7 | 3 | 8 | 2.4 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4sccc34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | |||
| 1786 | 5120 | 49 | None | 1 | 5 | Mouse | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1016/j.bmc.2019.05.034 | |||
| 4171 | 5120 | 49 | None | 1 | 5 | Mouse | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1016/j.bmc.2019.05.034 | |||
| 553 | 5120 | 49 | None | 1 | 5 | Mouse | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1016/j.bmc.2019.05.034 | |||
| CHEMBL13 | 5120 | 49 | None | 1 | 5 | Mouse | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1016/j.bmc.2019.05.034 | |||
| DB00264 | 5120 | 49 | None | 1 | 5 | Mouse | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1016/j.bmc.2019.05.034 | |||
| 155516656 | 334686 | 0 | None | 40 | 2 | Mouse | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 629 | 18 | 4 | 11 | 3.3 | Cn1cc(C(F)(F)F)nc1-c1ccc(OC[C@@H](O)CNCCOc2ccc(OCCSSCCN)c(C(N)=O)c2)cc1 | 10.1016/j.bmc.2019.05.034 | |||
| CHEMBL4443911 | 334686 | 0 | None | 40 | 2 | Mouse | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 629 | 18 | 4 | 11 | 3.3 | Cn1cc(C(F)(F)F)nc1-c1ccc(OC[C@@H](O)CNCCOc2ccc(OCCSSCCN)c(C(N)=O)c2)cc1 | 10.1016/j.bmc.2019.05.034 | |||
| 44444189 | 194902 | 0 | None | -8 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 586 | 15 | 4 | 7 | 4.8 | CS(=O)(=O)Nc1cc(C[C@@H](O)CN[C@@H](CCc2ccccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1O | 10.1016/j.bmcl.2007.05.030 | |||
| CHEMBL251555 | 194902 | 0 | None | -8 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 586 | 15 | 4 | 7 | 4.8 | CS(=O)(=O)Nc1cc(C[C@@H](O)CN[C@@H](CCc2ccccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1O | 10.1016/j.bmcl.2007.05.030 | |||
| 72545007 | 183927 | 0 | None | -3 | 5 | Pig | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 407 | 12 | 0 | 8 | 1.6 | COc1ccccc1N1CCN(Cc2cn(CCOCCOCCF)nn2)CC1 | 10.1016/j.bmcl.2013.09.026 | |||
| CHEMBL2443000 | 183927 | 0 | None | -3 | 5 | Pig | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 407 | 12 | 0 | 8 | 1.6 | COc1ccccc1N1CCN(Cc2cn(CCOCCOCCF)nn2)CC1 | 10.1016/j.bmcl.2013.09.026 | |||
| 72545009 | 183929 | 0 | None | 1 | 5 | Pig | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 437 | 6 | 3 | 10 | -0.4 | COc1ccccc1N1CCN(Cc2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3F)nn2)CC1 | 10.1016/j.bmcl.2013.09.026 | |||
| CHEMBL2443002 | 183929 | 0 | None | 1 | 5 | Pig | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 437 | 6 | 3 | 10 | -0.4 | COc1ccccc1N1CCN(Cc2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3F)nn2)CC1 | 10.1016/j.bmcl.2013.09.026 | |||
| 52946357 | 41591 | 0 | None | -11 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 430 | 8 | 4 | 9 | 1.9 | OCc1cc(OCC(O)CNC2CCN(c3ncnc4sccc34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1258598 | 41591 | 0 | None | -11 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 430 | 8 | 4 | 9 | 1.9 | OCc1cc(OCC(O)CNC2CCN(c3ncnc4sccc34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | |||
| 127045853 | 277098 | 0 | None | -20 | 6 | Mouse | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 492 | 12 | 4 | 7 | 3.6 | COc1cc(CCNC[C@H](O)c2ccc(O)c3c2OCC(=O)N3)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | |||
| CHEMBL3798748 | 277098 | 0 | None | -20 | 6 | Mouse | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 492 | 12 | 4 | 7 | 3.6 | COc1cc(CCNC[C@H](O)c2ccc(O)c3c2OCC(=O)N3)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | |||
| 11757304 | 200488 | 0 | None | None | None | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 550 | 11 | 5 | 9 | 0.3 | NS(=O)(=O)c1cc(S(=O)(=O)NCCNCC(O)COc2cccc3c2SCC(=O)N3)ccc1Cl | 10.1021/jm00053a020 | |||
| CHEMBL289390 | 200488 | 0 | None | None | None | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 550 | 11 | 5 | 9 | 0.3 | NS(=O)(=O)c1cc(S(=O)(=O)NCCNCC(O)COc2cccc3c2SCC(=O)N3)ccc1Cl | 10.1021/jm00053a020 | |||
| 9984829 | 78625 | 0 | None | -1 | 2 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 542 | 11 | 2 | 8 | 3.5 | COc1ccccc1N1CCN(CCCN2C(=O)CSc3c(OCC(O)CNC(C)(C)C)cccc32)CC1 | 10.1016/s0960-894x(00)00016-0 | |||
| CHEMBL143463 | 78625 | 0 | None | -1 | 2 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 542 | 11 | 2 | 8 | 3.5 | COc1ccccc1N1CCN(CCCN2C(=O)CSc3c(OCC(O)CNC(C)(C)C)cccc32)CC1 | 10.1016/s0960-894x(00)00016-0 | |||
| 2405 | 1368 | 47 | None | -1 | 4 | Mouse | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | 10.1016/j.bmc.2019.05.034 | |||
| 380 | 1368 | 47 | None | -1 | 4 | Mouse | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | 10.1016/j.bmc.2019.05.034 | |||
| 7129 | 1368 | 47 | None | -1 | 4 | Mouse | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | 10.1016/j.bmc.2019.05.034 | |||
| CHEMBL645 | 1368 | 47 | None | -1 | 4 | Mouse | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | 10.1016/j.bmc.2019.05.034 | |||
| DB00612 | 1368 | 47 | None | -1 | 4 | Mouse | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | 10.1016/j.bmc.2019.05.034 | |||
| 33624 | 8322 | 24 | None | -4 | 7 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/acs.jmedchem.8b00625 | |||
| 4061 | 8322 | 24 | None | -4 | 7 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/acs.jmedchem.8b00625 | |||
| 565 | 8322 | 24 | None | -4 | 7 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/acs.jmedchem.8b00625 | |||
| CHEMBL499 | 8322 | 24 | None | -4 | 7 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/acs.jmedchem.8b00625 | |||
| DB00373 | 8322 | 24 | None | -4 | 7 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/acs.jmedchem.8b00625 | |||
| 145948125 | 332508 | 0 | None | None | None | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 341 | 5 | 2 | 5 | 3.1 | CC(C)(C)NCC(O)COc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2018.04.038 | |||
| CHEMBL4302853 | 332508 | 0 | None | None | None | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 341 | 5 | 2 | 5 | 3.1 | CC(C)(C)NCC(O)COc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2018.04.038 | |||
| 68807656 | 232786 | 0 | None | -1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 372 | 8 | 4 | 5 | 3.1 | CCCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2014.06.014 | |||
| CHEMBL3323666 | 232786 | 0 | None | -1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 372 | 8 | 4 | 5 | 3.1 | CCCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2014.06.014 | |||
| 102262219 | 277353 | 0 | None | -12 | 6 | Mouse | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 488 | 12 | 4 | 6 | 4.1 | COc1cc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | |||
| CHEMBL3800400 | 277353 | 0 | None | -12 | 6 | Mouse | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 488 | 12 | 4 | 6 | 4.1 | COc1cc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | |||
| 1531 | 4617 | 40 | None | -1 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | |||
| 3869 | 4617 | 40 | None | -1 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | |||
| 7207 | 4617 | 40 | None | -1 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | |||
| CHEMBL429 | 4617 | 40 | None | -1 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | |||
| DB00598 | 4617 | 40 | None | -1 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | |||
| 10297331 | 194773 | 0 | None | None | None | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 445 | 12 | 2 | 7 | 4.2 | O[C@@H](CNCCOc1ccc(-c2coc(COCc3ccccc3)n2)cc1)c1cccnc1 | 10.1016/j.bmcl.2007.06.072 | |||
| CHEMBL250760 | 194773 | 0 | None | None | None | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 445 | 12 | 2 | 7 | 4.2 | O[C@@H](CNCCOc1ccc(-c2coc(COCc3ccccc3)n2)cc1)c1cccnc1 | 10.1016/j.bmcl.2007.06.072 | |||
| 10081581 | 25479 | 0 | None | 2 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 202 | 6 | 2 | 4 | 1.1 | CC/C=N/OCC(O)CNC(C)(C)C | 10.1021/jm00036a018 | |||
| CHEMBL1178704 | 25479 | 0 | None | 2 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 202 | 6 | 2 | 4 | 1.1 | CC/C=N/OCC(O)CNC(C)(C)C | 10.1021/jm00036a018 | |||
| 10266538 | 235840 | 0 | None | -1 | 2 | Guinea pig | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 295 | 1 | 0 | 5 | 1.2 | CN1CCN(c2ncc(Br)n3ccnc23)CC1 | 10.1021/jm00099a012 | |||
| CHEMBL338704 | 235840 | 0 | None | -1 | 2 | Guinea pig | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 295 | 1 | 0 | 5 | 1.2 | CN1CCN(c2ncc(Br)n3ccnc23)CC1 | 10.1021/jm00099a012 | |||
| 10081581 | 25479 | 0 | None | 2 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 202 | 6 | 2 | 4 | 1.1 | CC/C=N/OCC(O)CNC(C)(C)C | 10.1021/acs.jmedchem.1c01215 | |||
| CHEMBL1178704 | 25479 | 0 | None | 2 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 202 | 6 | 2 | 4 | 1.1 | CC/C=N/OCC(O)CNC(C)(C)C | 10.1021/acs.jmedchem.1c01215 | |||
| 10059780 | 27221 | 0 | None | -9 | 3 | Guinea pig | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 231 | 2 | 1 | 5 | 0.7 | CCc1cnc2c(N3CCNCC3)nccn12 | 10.1021/jm00099a012 | |||
| CHEMBL1189347 | 27221 | 0 | None | -9 | 3 | Guinea pig | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 231 | 2 | 1 | 5 | 0.7 | CCc1cnc2c(N3CCNCC3)nccn12 | 10.1021/jm00099a012 | |||
| 127047996 | 276954 | 0 | None | -1122 | 6 | Mouse | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 303 | 8 | 3 | 5 | 2.3 | COc1ccccc1OCCNCCc1ccc(O)c(O)c1 | 10.1016/j.bmc.2016.04.028 | |||
| CHEMBL3797758 | 276954 | 0 | None | -1122 | 6 | Mouse | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 303 | 8 | 3 | 5 | 2.3 | COc1ccccc1OCCNCCc1ccc(O)c(O)c1 | 10.1016/j.bmc.2016.04.028 | |||
| 23728722 | 251628 | 37 | None | -1 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 400 | 3 | 1 | 4 | 4.1 | CC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)N[C@@H]1c1ccc(C#N)nc1 | 10.6019/CHEMBL4507272 | |||
| CHEMBL3617968 | 251628 | 37 | None | -1 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 400 | 3 | 1 | 4 | 4.1 | CC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)N[C@@H]1c1ccc(C#N)nc1 | 10.6019/CHEMBL4507272 | |||
| 5806 | 203226 | 13 | None | 2 | 2 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 247 | 4 | 2 | 2 | 3.0 | CC(C)NCC(O)c1ccc(Cl)c(Cl)c1 | 10.1021/jm00036a018 | |||
| CHEMBL30816 | 203226 | 13 | None | 2 | 2 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 247 | 4 | 2 | 2 | 3.0 | CC(C)NCC(O)c1ccc(Cl)c(Cl)c1 | 10.1021/jm00036a018 | |||
| DB12803 | 203226 | 13 | None | 2 | 2 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 247 | 4 | 2 | 2 | 3.0 | CC(C)NCC(O)c1ccc(Cl)c(Cl)c1 | 10.1021/jm00036a018 | |||
| 5806 | 203226 | 13 | None | 2 | 2 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 247 | 4 | 2 | 2 | 3.0 | CC(C)NCC(O)c1ccc(Cl)c(Cl)c1 | 10.1021/acs.jmedchem.1c01215 | |||
| CHEMBL30816 | 203226 | 13 | None | 2 | 2 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 247 | 4 | 2 | 2 | 3.0 | CC(C)NCC(O)c1ccc(Cl)c(Cl)c1 | 10.1021/acs.jmedchem.1c01215 | |||
| DB12803 | 203226 | 13 | None | 2 | 2 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 247 | 4 | 2 | 2 | 3.0 | CC(C)NCC(O)c1ccc(Cl)c(Cl)c1 | 10.1021/acs.jmedchem.1c01215 | |||
| 10773922 | 308800 | 0 | None | -1 | 2 | Rat | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NC[C@@H](O)c1ccc(O)c(O)c1F | 10.1021/jm990599h | |||
| CHEMBL40796 | 308800 | 0 | None | -1 | 2 | Rat | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NC[C@@H](O)c1ccc(O)c(O)c1F | 10.1021/jm990599h | |||
| 16736514 | 289692 | 0 | None | -2 | 2 | Rat | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 273 | 6 | 4 | 4 | 2.0 | Oc1cc(O)cc([C@H](O)CNCCc2ccccc2)c1 | nan | |||
| CHEMBL389902 | 289692 | 0 | None | -2 | 2 | Rat | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 273 | 6 | 4 | 4 | 2.0 | Oc1cc(O)cc([C@H](O)CNCCc2ccccc2)c1 | nan | |||
| 16736514 | 289692 | 0 | None | -2 | 2 | Rat | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 273 | 6 | 4 | 4 | 2.0 | Oc1cc(O)cc([C@H](O)CNCCc2ccccc2)c1 | 10.1021/jm070030d | |||
| CHEMBL389902 | 289692 | 0 | None | -2 | 2 | Rat | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 273 | 6 | 4 | 4 | 2.0 | Oc1cc(O)cc([C@H](O)CNCCc2ccccc2)c1 | 10.1021/jm070030d | |||
| 44424581 | 289690 | 0 | None | 1 | 2 | Rat | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 253 | 7 | 4 | 4 | 2.3 | CCCC[C@H](C)NC[C@@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | |||
| CHEMBL389734 | 289690 | 0 | None | 1 | 2 | Rat | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 253 | 7 | 4 | 4 | 2.3 | CCCC[C@H](C)NC[C@@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | |||
| 16735276 | 292695 | 0 | None | 1 | 2 | Rat | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 267 | 8 | 4 | 4 | 2.7 | CCCCC[C@H](C)NC[C@@H](O)c1cc(O)cc(O)c1 | nan | |||
| CHEMBL3918348 | 292695 | 0 | None | 1 | 2 | Rat | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 267 | 8 | 4 | 4 | 2.7 | CCCCC[C@H](C)NC[C@@H](O)c1cc(O)cc(O)c1 | nan | |||
| 4276762 | 21283 | 9 | None | -1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 530 | 8 | 1 | 6 | 4.9 | COc1ccc(OCC(O)CN2CCC(CN3C(=O)c4cccc5cccc(c45)C3=O)CC2)c(C(C)(C)C)c1 | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL1084526 | 21283 | 9 | None | -1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 530 | 8 | 1 | 6 | 4.9 | COc1ccc(OCC(O)CN2CCC(CN3C(=O)c4cccc5cccc(c45)C3=O)CC2)c(C(C)(C)C)c1 | 10.1016/j.bmcl.2010.04.009 | |||
| 127046951 | 277202 | 0 | None | -11 | 6 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 437 | 12 | 4 | 6 | 4.0 | COc1cc(CCNC[C@@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | |||
| CHEMBL3799427 | 277202 | 0 | None | -11 | 6 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 437 | 12 | 4 | 6 | 4.0 | COc1cc(CCNC[C@@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | |||
| 70541 | 178400 | 48 | None | None | None | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 190 | 1 | 1 | 2 | 1.7 | Cc1cccc(N2CCNCC2)c1C | 10.1021/jm400140q | |||
| CHEMBL2335161 | 178400 | 48 | None | None | None | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 190 | 1 | 1 | 2 | 1.7 | Cc1cccc(N2CCNCC2)c1C | 10.1021/jm400140q | |||
| 23728722 | 251628 | 37 | None | -1 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 400 | 3 | 1 | 4 | 4.1 | CC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)N[C@@H]1c1ccc(C#N)nc1 | 10.6019/CHEMBL5212743 | |||
| CHEMBL3617968 | 251628 | 37 | None | -1 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 400 | 3 | 1 | 4 | 4.1 | CC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)N[C@@H]1c1ccc(C#N)nc1 | 10.6019/CHEMBL5212743 | |||
| 23728722 | 251628 | 37 | None | -1 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 400 | 3 | 1 | 4 | 4.1 | CC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)N[C@@H]1c1ccc(C#N)nc1 | 10.6019/CHEMBL4507272 | |||
| CHEMBL3617968 | 251628 | 37 | None | -1 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 400 | 3 | 1 | 4 | 4.1 | CC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)N[C@@H]1c1ccc(C#N)nc1 | 10.6019/CHEMBL4507272 | |||
| 1786 | 5120 | 49 | None | -1 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1016/j.bmc.2019.05.034 | |||
| 4171 | 5120 | 49 | None | -1 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1016/j.bmc.2019.05.034 | |||
| 553 | 5120 | 49 | None | -1 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1016/j.bmc.2019.05.034 | |||
| CHEMBL13 | 5120 | 49 | None | -1 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1016/j.bmc.2019.05.034 | |||
| DB00264 | 5120 | 49 | None | -1 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1016/j.bmc.2019.05.034 | |||
| 2419 | 7043 | 56 | None | -23 | 15 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.9b00349 | |||
| 5152 | 7043 | 56 | None | -23 | 15 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.9b00349 | |||
| 559 | 7043 | 56 | None | -23 | 15 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.9b00349 | |||
| CHEMBL1263 | 7043 | 56 | None | -23 | 15 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.9b00349 | |||
| DB00938 | 7043 | 56 | None | -23 | 15 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.9b00349 | |||
| 56645363 | 240095 | 21 | None | -5 | 6 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 311 | 3 | 1 | 4 | 3.8 | CC(C)(O)c1cncc(-c2nc3ccc(F)cc3n2C2CC2)c1 | 10.6019/CHEMBL4507294 | |||
| CHEMBL3582478 | 240095 | 21 | None | -5 | 6 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 311 | 3 | 1 | 4 | 3.8 | CC(C)(O)c1cncc(-c2nc3ccc(F)cc3n2C2CC2)c1 | 10.6019/CHEMBL4507294 | |||
| 10512270 | 327589 | 5 | None | -5 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 201 | 3 | 4 | 4 | 0.5 | CNC[C@H](O)c1ccc(O)c(O)c1F | 10.1021/jm990599h | |||
| CHEMBL42370 | 327589 | 5 | None | -5 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 201 | 3 | 4 | 4 | 0.5 | CNC[C@H](O)c1ccc(O)c(O)c1F | 10.1021/jm990599h | |||
| 24937390 | 41484 | 0 | None | -2 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 490 | 8 | 3 | 8 | 4.4 | Cc1c(-c2ccccc2)sc2ncnc(N3CCC(NCC(O)COc4ccc(O)cc4)CC3)c12 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1258259 | 41484 | 0 | None | -2 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 490 | 8 | 3 | 8 | 4.4 | Cc1c(-c2ccccc2)sc2ncnc(N3CCC(NCC(O)COc4ccc(O)cc4)CC3)c12 | 10.1016/j.bmcl.2010.08.039 | |||
| 10207208 | 308673 | 0 | None | -63 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 500 | 12 | 4 | 7 | 3.3 | COc1ccc([C@H](Cc2ccccc2)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | |||
| CHEMBL398557 | 308673 | 0 | None | -63 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 500 | 12 | 4 | 7 | 3.3 | COc1ccc([C@H](Cc2ccccc2)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | |||
| 24937016 | 41626 | 0 | None | -5 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 400 | 7 | 3 | 8 | 2.4 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4ccsc34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1258706 | 41626 | 0 | None | -5 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 400 | 7 | 3 | 8 | 2.4 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4ccsc34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | |||
| 44351358 | 235814 | 5 | None | None | None | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 205 | 2 | 4 | 4 | 0.4 | NCC(O)c1cc(F)c(O)c(O)c1F | 10.1021/jm00076a024 | |||
| CHEMBL338564 | 235814 | 5 | None | None | None | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 205 | 2 | 4 | 4 | 0.4 | NCC(O)c1cc(F)c(O)c(O)c1F | 10.1021/jm00076a024 | |||
| 44444188 | 194901 | 0 | None | -2 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 484 | 12 | 4 | 6 | 3.6 | COc1cccc([C@H](CCc2ccccc2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)c1 | 10.1016/j.bmcl.2007.05.030 | |||
| CHEMBL251554 | 194901 | 0 | None | -2 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 484 | 12 | 4 | 6 | 3.6 | COc1cccc([C@H](CCc2ccccc2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)c1 | 10.1016/j.bmcl.2007.05.030 | |||
| 3931 | 4582 | 43 | None | -3 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 584 | 17 | 6 | 7 | 4.5 | CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)CCNC[C@@H](COc1ccc(cc1)O)O | 10.1021/jm000544b | |||
| 9829836 | 4582 | 43 | None | -3 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 584 | 17 | 6 | 7 | 4.5 | CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)CCNC[C@@H](COc1ccc(cc1)O)O | 10.1021/jm000544b | |||
| CHEMBL12998 | 4582 | 43 | None | -3 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 584 | 17 | 6 | 7 | 4.5 | CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)CCNC[C@@H](COc1ccc(cc1)O)O | 10.1021/jm000544b | |||
| 118710942 | 232780 | 0 | None | -8 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 384 | 5 | 4 | 5 | 3.6 | Cc1ccccc1[C@H]1CCC[C@H]1NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 | 10.1016/j.bmcl.2014.06.014 | |||
| CHEMBL3323660 | 232780 | 0 | None | -8 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 384 | 5 | 4 | 5 | 3.6 | Cc1ccccc1[C@H]1CCC[C@H]1NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 | 10.1016/j.bmcl.2014.06.014 | |||
| 49864378 | 39522 | 0 | None | -1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 356 | 4 | 4 | 5 | 3.0 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCCc4ccccc43)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
| CHEMBL1221635 | 39522 | 0 | None | -1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 356 | 4 | 4 | 5 | 3.0 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCCc4ccccc43)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
| 15221055 | 469321 | 0 | None | -5 | 2 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 368 | 9 | 3 | 5 | 3.1 | C[C@H](Cc1ncc(CCC(=O)O)s1)NCC(O)c1cccc(Cl)c1 | 10.1016/0960-894X(96)00417-9 | |||
| CHEMBL72060 | 469321 | 0 | None | -5 | 2 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 368 | 9 | 3 | 5 | 3.1 | C[C@H](Cc1ncc(CCC(=O)O)s1)NCC(O)c1cccc(Cl)c1 | 10.1016/0960-894X(96)00417-9 | |||
| 11978813 | 1488 | 62 | None | -69 | 28 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | 10.6019/CHEMBL5442175 | |||
| 5014 | 1488 | 62 | None | -69 | 28 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | 10.6019/CHEMBL5442175 | |||
| 7672 | 1488 | 62 | None | -69 | 28 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | 10.6019/CHEMBL5442175 | |||
| CHEMBL2105760 | 1488 | 62 | None | -69 | 28 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | 10.6019/CHEMBL5442175 | |||
| DB09128 | 1488 | 62 | None | -69 | 28 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | 10.6019/CHEMBL5442175 | |||
| 44286983 | 278911 | 0 | None | -3 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 362 | 9 | 3 | 4 | 2.5 | C[C@H](Cc1ccc(OCC(N)=O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/S0960-894X(97)00266-7 | |||
| CHEMBL38569 | 278911 | 0 | None | -3 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 362 | 9 | 3 | 4 | 2.5 | C[C@H](Cc1ccc(OCC(N)=O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/S0960-894X(97)00266-7 | |||
| 33624 | 8322 | 24 | None | -4 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.6019/CHEMBL5442175 | |||
| 4061 | 8322 | 24 | None | -4 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.6019/CHEMBL5442175 | |||
| 565 | 8322 | 24 | None | -4 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.6019/CHEMBL5442175 | |||
| CHEMBL499 | 8322 | 24 | None | -4 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.6019/CHEMBL5442175 | |||
| DB00373 | 8322 | 24 | None | -4 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.6019/CHEMBL5442175 | |||
| 118710947 | 232787 | 0 | None | 1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 386 | 8 | 4 | 5 | 3.4 | CC(C)Cc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2014.06.014 | |||
| CHEMBL3323667 | 232787 | 0 | None | 1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 386 | 8 | 4 | 5 | 3.4 | CC(C)Cc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2014.06.014 | |||
| 146025803 | 346717 | 0 | None | 1 | 2 | Mouse | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 467 | 14 | 4 | 7 | 3.7 | COc1cc(CCNC[C@H](O)COc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | |||
| CHEMBL4593181 | 346717 | 0 | None | 1 | 2 | Mouse | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 467 | 14 | 4 | 7 | 3.7 | COc1cc(CCNC[C@H](O)COc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | |||
| 146025801 | 335180 | 0 | None | -1 | 2 | Mouse | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 376 | 8 | 3 | 4 | 4.0 | COc1ccccc1OCCNC[C@H](O)c1cccc2[nH]c3ccccc3c12 | 10.1021/acs.jmedchem.9b00349 | |||
| CHEMBL4451135 | 335180 | 0 | None | -1 | 2 | Mouse | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 376 | 8 | 3 | 4 | 4.0 | COc1ccccc1OCCNC[C@H](O)c1cccc2[nH]c3ccccc3c12 | 10.1021/acs.jmedchem.9b00349 | |||
| 118710935 | 231965 | 0 | None | -9 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 362 | 5 | 4 | 5 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCC[C@H]3C3CCCC3)c2s1 | 10.1016/j.bmcl.2014.06.014 | |||
| CHEMBL3323653 | 231965 | 0 | None | -9 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 362 | 5 | 4 | 5 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCC[C@H]3C3CCCC3)c2s1 | 10.1016/j.bmcl.2014.06.014 | |||
| 49864397 | 39530 | 0 | None | -8 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 362 | 5 | 4 | 5 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@H]3C3CCCC3)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
| CHEMBL1221683 | 39530 | 0 | None | -8 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 362 | 5 | 4 | 5 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@H]3C3CCCC3)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
| 559929 | 19239 | 7 | None | None | None | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 273 | 5 | 4 | 5 | 1.4 | CC(C)(C)NCC(O)COc1ccc(O)c(O)c1F | 10.1021/jm00107a027 | |||
| CHEMBL10453 | 19239 | 7 | None | None | None | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 273 | 5 | 4 | 5 | 1.4 | CC(C)(C)NCC(O)COc1ccc(O)c(O)c1F | 10.1021/jm00107a027 | |||
| 24936881 | 41387 | 0 | None | -10 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 476 | 8 | 3 | 8 | 4.1 | Oc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1257913 | 41387 | 0 | None | -10 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 476 | 8 | 3 | 8 | 4.1 | Oc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | |||
| 9816183 | 200700 | 5 | None | -12 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 240 | 3 | 4 | 6 | 1.0 | CNCC(O)c1ccc(O)c2nc(O)sc12 | 10.1016/j.bmcl.2010.06.136 | |||
| CHEMBL29141 | 200700 | 5 | None | -12 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 240 | 3 | 4 | 6 | 1.0 | CNCC(O)c1ccc(O)c2nc(O)sc12 | 10.1016/j.bmcl.2010.06.136 | |||
| 24936491 | 41390 | 0 | None | -7 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 494 | 8 | 3 | 8 | 4.2 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccc(F)cc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1257916 | 41390 | 0 | None | -7 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 494 | 8 | 3 | 8 | 4.2 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccc(F)cc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | |||
| 10140092 | 194911 | 0 | None | -114 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 470 | 11 | 4 | 6 | 3.2 | COc1ccc([C@@H](Cc2ccccc2)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1 | 10.1016/j.bmcl.2007.05.030 | |||
| CHEMBL251581 | 194911 | 0 | None | -114 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 470 | 11 | 4 | 6 | 3.2 | COc1ccc([C@@H](Cc2ccccc2)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1 | 10.1016/j.bmcl.2007.05.030 | |||
| 13599050 | 197289 | 1 | None | 1 | 2 | Rat | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 251 | 2 | 3 | 4 | 1.8 | CC(C)N1CCCC(O)(c2ccc(O)c(O)c2)C1 | 10.1021/jm00084a006 | |||
| CHEMBL266290 | 197289 | 1 | None | 1 | 2 | Rat | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 251 | 2 | 3 | 4 | 1.8 | CC(C)N1CCCC(O)(c2ccc(O)c(O)c2)C1 | 10.1021/jm00084a006 | |||
| 44423640 | 270640 | 0 | None | -4 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 398 | 9 | 3 | 6 | 2.2 | C[C@H](Cc1ccc(OCC(=O)O)cc1)NC[C@H](O)c1cc(Br)no1 | 10.1016/j.bmc.2007.01.056 | |||
| CHEMBL387851 | 270640 | 0 | None | -4 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 398 | 9 | 3 | 6 | 2.2 | C[C@H](Cc1ccc(OCC(=O)O)cc1)NC[C@H](O)c1cc(Br)no1 | 10.1016/j.bmc.2007.01.056 | |||
| 16737587 | 308932 | 0 | None | None | None | Rat | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 267 | 8 | 4 | 4 | 2.7 | CCCCC[C@@H](C)NC[C@@H](O)c1cc(O)cc(O)c1 | nan | |||
| CHEMBL4110387 | 308932 | 0 | None | None | None | Rat | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 267 | 8 | 4 | 4 | 2.7 | CCCCC[C@@H](C)NC[C@@H](O)c1cc(O)cc(O)c1 | nan | |||
| 44424580 | 176732 | 0 | None | 1 | 2 | Rat | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 253 | 7 | 4 | 4 | 2.3 | CCCC[C@@H](C)NC[C@@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | |||
| CHEMBL229616 | 176732 | 0 | None | 1 | 2 | Rat | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 253 | 7 | 4 | 4 | 2.3 | CCCC[C@@H](C)NC[C@@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | |||
| 10544781 | 469575 | 0 | None | -10 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 335 | 5 | 2 | 7 | 2.2 | COc1cc(CC2NCCc3nc(N)sc32)cc(OC)c1OC | 10.1021/jm990012z | |||
| CHEMBL73917 | 469575 | 0 | None | -10 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 335 | 5 | 2 | 7 | 2.2 | COc1cc(CC2NCCc3nc(N)sc32)cc(OC)c1OC | 10.1021/jm990012z | |||
| 118710939 | 232777 | 0 | None | -14 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 336 | 5 | 4 | 5 | 2.7 | CC(C)[C@H]1CCC[C@H]1NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 | 10.1016/j.bmcl.2014.06.014 | |||
| CHEMBL3323657 | 232777 | 0 | None | -14 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 336 | 5 | 4 | 5 | 2.7 | CC(C)[C@H]1CCC[C@H]1NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 | 10.1016/j.bmcl.2014.06.014 | |||
| 24936626 | 41281 | 0 | None | -87 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 506 | 9 | 4 | 9 | 3.6 | OCc1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1257555 | 41281 | 0 | None | -87 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 506 | 9 | 4 | 9 | 3.6 | OCc1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | |||
| 10316512 | 40749 | 0 | None | 18 | 2 | Guinea pig | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 359 | 1 | 1 | 5 | 1.7 | Brc1cnc(N2CCNCC2)c2ncc(Br)n12 | 10.1021/jm00099a012 | |||
| CHEMBL124926 | 40749 | 0 | None | 18 | 2 | Guinea pig | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 359 | 1 | 1 | 5 | 1.7 | Brc1cnc(N2CCNCC2)c2ncc(Br)n12 | 10.1021/jm00099a012 | |||
| 11779308 | 42364 | 4 | None | -4 | 2 | Guinea pig | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 295 | 1 | 0 | 5 | 1.2 | CN1CCN(c2nccn3c(Br)cnc23)CC1 | 10.1021/jm00099a012 | |||
| CHEMBL127318 | 42364 | 4 | None | -4 | 2 | Guinea pig | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 295 | 1 | 0 | 5 | 1.2 | CN1CCN(c2nccn3c(Br)cnc23)CC1 | 10.1021/jm00099a012 | |||
| 541604 | 327587 | 6 | None | -91 | 4 | Guinea pig | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 201 | 3 | 4 | 4 | 0.5 | CNCC(O)c1cc(O)c(O)cc1F | 10.1021/jm00118a019 | |||
| CHEMBL42359 | 327587 | 6 | None | -91 | 4 | Guinea pig | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 201 | 3 | 4 | 4 | 0.5 | CNCC(O)c1cc(O)c(O)cc1F | 10.1021/jm00118a019 | |||
| 1862 | 329 | 10 | None | -52 | 5 | Rat | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NCC(c1cc(O)c(cc1F)O)O | 10.1021/jm990599h | |||
| 510 | 329 | 10 | None | -52 | 5 | Rat | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NCC(c1cc(O)c(cc1F)O)O | 10.1021/jm990599h | |||
| CHEMBL281232 | 329 | 10 | None | -52 | 5 | Rat | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NCC(c1cc(O)c(cc1F)O)O | 10.1021/jm990599h | |||
| 541604 | 327587 | 6 | None | -91 | 4 | Rat | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 201 | 3 | 4 | 4 | 0.5 | CNCC(O)c1cc(O)c(O)cc1F | 10.1021/jm00076a024 | |||
| CHEMBL42359 | 327587 | 6 | None | -91 | 4 | Rat | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 201 | 3 | 4 | 4 | 0.5 | CNCC(O)c1cc(O)c(O)cc1F | 10.1021/jm00076a024 | |||
| 90644153 | 221740 | 0 | None | -19 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 470 | 11 | 5 | 6 | 5.3 | OCc1cc(C(O)CNCCc2ccc(Nc3ccc(Oc4ccccc4)cc3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | |||
| CHEMBL3290982 | 221740 | 0 | None | -19 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 470 | 11 | 5 | 6 | 5.3 | OCc1cc(C(O)CNCCc2ccc(Nc3ccc(Oc4ccccc4)cc3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | |||
| 173 | 6634 | 59 | None | -79 | 11 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | 10.1021/jm400140q | |||
| 5011 | 6634 | 59 | None | -79 | 11 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | 10.1021/jm400140q | |||
| CHEMBL18772 | 6634 | 59 | None | -79 | 11 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | 10.1021/jm400140q | |||
| 150860015 | 387400 | 0 | None | -28 | 17 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 440 | 10 | 2 | 6 | 4.9 | CCN(CC)CCCC(C)Nc1cnc(C(=O)Nc2ccc(Cl)c3cccnc23)cn1 | 10.1021/acs.jmedchem.2c01769 | |||
| CHEMBL5395401 | 387400 | 0 | None | -28 | 17 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 440 | 10 | 2 | 6 | 4.9 | CCN(CC)CCCC(C)Nc1cnc(C(=O)Nc2ccc(Cl)c3cccnc23)cn1 | 10.1021/acs.jmedchem.2c01769 | |||
| 44312269 | 469344 | 0 | None | 2 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 382 | 10 | 3 | 5 | 3.5 | C[C@H](Cc1ncc(CCCC(=O)O)s1)NCC(O)c1cccc(Cl)c1 | 10.1016/0960-894X(96)00417-9 | |||
| CHEMBL72168 | 469344 | 0 | None | 2 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 382 | 10 | 3 | 5 | 3.5 | C[C@H](Cc1ncc(CCCC(=O)O)s1)NCC(O)c1cccc(Cl)c1 | 10.1016/0960-894X(96)00417-9 | |||
| 44423641 | 176342 | 0 | None | -12 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 398 | 9 | 3 | 6 | 2.2 | C[C@H](Cc1ccc(OCC(=O)O)cc1)NC[C@@H](O)c1cc(Br)no1 | 10.1016/j.bmc.2007.01.056 | |||
| CHEMBL226293 | 176342 | 0 | None | -12 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 398 | 9 | 3 | 6 | 2.2 | C[C@H](Cc1ccc(OCC(=O)O)cc1)NC[C@@H](O)c1cc(Br)no1 | 10.1016/j.bmc.2007.01.056 | |||
| 2812 | 19119 | 69 | None | -38 | 34 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | |||
| 719 | 19119 | 69 | None | -38 | 34 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | |||
| CHEMBL104 | 19119 | 69 | None | -38 | 34 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | |||
| DB00257 | 19119 | 69 | None | -38 | 34 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | |||
| 11432806 | 138490 | 0 | None | -16 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 549 | 11 | 4 | 8 | 3.6 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.09.054 | |||
| CHEMBL184407 | 138490 | 0 | None | -16 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 549 | 11 | 4 | 8 | 3.6 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.09.054 | |||
| 11432806 | 138490 | 0 | None | -16 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 549 | 11 | 4 | 8 | 3.6 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | |||
| CHEMBL184407 | 138490 | 0 | None | -16 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 549 | 11 | 4 | 8 | 3.6 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | |||
| 118710935 | 231965 | 0 | None | -9 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 362 | 5 | 4 | 5 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCC[C@H]3C3CCCC3)c2s1 | 10.1016/j.bmcl.2014.06.014 | |||
| CHEMBL3323653 | 231965 | 0 | None | -9 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 362 | 5 | 4 | 5 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCC[C@H]3C3CCCC3)c2s1 | 10.1016/j.bmcl.2014.06.014 | |||
| 44423645 | 176355 | 0 | None | -4 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 396 | 10 | 2 | 5 | 3.9 | CCCCOc1ccc(C[C@@H](C)NC[C@H](O)c2cc(Br)no2)cc1 | 10.1016/j.bmc.2007.01.056 | |||
| CHEMBL226349 | 176355 | 0 | None | -4 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 396 | 10 | 2 | 5 | 3.9 | CCCCOc1ccc(C[C@@H](C)NC[C@H](O)c2cc(Br)no2)cc1 | 10.1016/j.bmc.2007.01.056 | |||
| 145946829 | 332340 | 0 | None | 4 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 380 | 11 | 3 | 6 | 1.0 | CNCC(O)COc1ccc(S(=O)(=O)NCCOc2ccccc2)cc1 | 10.1021/acs.jmedchem.8b00625 | |||
| CHEMBL4300598 | 332340 | 0 | None | 4 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 380 | 11 | 3 | 6 | 1.0 | CNCC(O)COc1ccc(S(=O)(=O)NCCOc2ccccc2)cc1 | 10.1021/acs.jmedchem.8b00625 | |||
| 49864439 | 39537 | 0 | None | -4 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 390 | 5 | 4 | 5 | 4.1 | O=c1[nH]c2c(O)ccc([C@@H](O)CNC3CCCCC3C3CCCCC3)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
| CHEMBL1221801 | 39537 | 0 | None | -4 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 390 | 5 | 4 | 5 | 4.1 | O=c1[nH]c2c(O)ccc([C@@H](O)CNC3CCCCC3C3CCCCC3)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
| 594590 | 145062 | 47 | None | 39 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 201 | 1 | 2 | 2 | 1.6 | c1cc(N2CCNCC2)c2cc[nH]c2c1 | 10.1021/jm400140q | |||
| CHEMBL200234 | 145062 | 47 | None | 39 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 201 | 1 | 2 | 2 | 1.6 | c1cc(N2CCNCC2)c2cc[nH]c2c1 | 10.1021/jm400140q | |||
| 1499 | 4274 | 42 | None | -33 | 12 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00107a027 | |||
| 3779 | 4274 | 42 | None | -33 | 12 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00107a027 | |||
| 536 | 4274 | 42 | None | -33 | 12 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00107a027 | |||
| CHEMBL434 | 4274 | 42 | None | -33 | 12 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00107a027 | |||
| DB01064 | 4274 | 42 | None | -33 | 12 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00107a027 | |||
| 44361634 | 78142 | 0 | None | None | None | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 417 | 6 | 2 | 6 | 2.4 | O=C1CSc2c(cccc2OCC(O)CN2CCN(c3ccc(F)cc3)CC2)N1 | 10.1016/s0960-894x(00)00016-0 | |||
| CHEMBL142995 | 78142 | 0 | None | None | None | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 417 | 6 | 2 | 6 | 2.4 | O=C1CSc2c(cccc2OCC(O)CN2CCN(c3ccc(F)cc3)CC2)N1 | 10.1016/s0960-894x(00)00016-0 | |||
| 24936625 | 41355 | 0 | None | -1 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 520 | 9 | 4 | 9 | 3.8 | O=C(O)c1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1257798 | 41355 | 0 | None | -1 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 520 | 9 | 4 | 9 | 3.8 | O=C(O)c1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | |||
| 3207225 | 178406 | 7 | None | None | None | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 302 | 1 | 1 | 5 | 2.5 | Cc1nc(N2CCNCC2)c2c3c(sc2n1)CC(C)CC3 | 10.1021/jm400140q | |||
| CHEMBL2335167 | 178406 | 7 | None | None | None | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 302 | 1 | 1 | 5 | 2.5 | Cc1nc(N2CCNCC2)c2c3c(sc2n1)CC(C)CC3 | 10.1021/jm400140q | |||
| 594590 | 145062 | 47 | None | 39 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 201 | 1 | 2 | 2 | 1.6 | c1cc(N2CCNCC2)c2cc[nH]c2c1 | 10.1021/jm400561w | |||
| CHEMBL200234 | 145062 | 47 | None | 39 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 201 | 1 | 2 | 2 | 1.6 | c1cc(N2CCNCC2)c2cc[nH]c2c1 | 10.1021/jm400561w | |||
| 12582 | 1957 | 29 | None | -3 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | nan | |||
| 2783 | 1957 | 29 | None | -3 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | nan | |||
| 673 | 1957 | 29 | None | -3 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | nan | |||
| CHEMBL49080 | 1957 | 29 | None | -3 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | nan | |||
| DB01407 | 1957 | 29 | None | -3 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | nan | |||
| 10231679 | 194722 | 0 | None | -36 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 572 | 14 | 4 | 7 | 4.4 | CS(=O)(=O)Nc1cc(C[C@H](O)CN[C@H](Cc2ccccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1O | 10.1016/j.bmcl.2007.05.030 | |||
| CHEMBL250553 | 194722 | 0 | None | -36 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 572 | 14 | 4 | 7 | 4.4 | CS(=O)(=O)Nc1cc(C[C@H](O)CN[C@H](Cc2ccccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1O | 10.1016/j.bmcl.2007.05.030 | |||
| 2419 | 7043 | 56 | None | -204 | 15 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.6019/CHEMBL5442175 | |||
| 5152 | 7043 | 56 | None | -204 | 15 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.6019/CHEMBL5442175 | |||
| 559 | 7043 | 56 | None | -204 | 15 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.6019/CHEMBL5442175 | |||
| CHEMBL1263 | 7043 | 56 | None | -204 | 15 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.6019/CHEMBL5442175 | |||
| DB00938 | 7043 | 56 | None | -204 | 15 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.6019/CHEMBL5442175 | |||
| 46889670 | 21341 | 0 | None | -2 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 533 | 7 | 2 | 5 | 5.2 | O=C1c2cccc3cccc(c23)C(=O)N1CC1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL1084772 | 21341 | 0 | None | -2 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 533 | 7 | 2 | 5 | 5.2 | O=C1c2cccc3cccc(c23)C(=O)N1CC1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| 2303 | 6476 | 48 | None | -27 | 19 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2016.09.037 | |||
| 4946 | 6476 | 48 | None | -27 | 19 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2016.09.037 | |||
| 564 | 6476 | 48 | None | -27 | 19 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2016.09.037 | |||
| 63 | 6476 | 48 | None | -27 | 19 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2016.09.037 | |||
| 91536 | 6476 | 48 | None | -27 | 19 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2016.09.037 | |||
| CHEMBL27 | 6476 | 48 | None | -27 | 19 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2016.09.037 | |||
| CHEMBL452861 | 6476 | 48 | None | -27 | 19 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2016.09.037 | |||
| DB00571 | 6476 | 48 | None | -27 | 19 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2016.09.037 | |||
| 15077948 | 278851 | 0 | None | None | None | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 514 | 10 | 5 | 8 | 0.8 | NS(=O)(=O)c1cc(C(=O)NCCNCC(O)COc2cccc3c2SCC(=O)N3)ccc1Cl | 10.1021/jm00053a020 | |||
| CHEMBL38532 | 278851 | 0 | None | None | None | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 514 | 10 | 5 | 8 | 0.8 | NS(=O)(=O)c1cc(C(=O)NCCNCC(O)COc2cccc3c2SCC(=O)N3)ccc1Cl | 10.1021/jm00053a020 | |||
| 9982903 | 333682 | 0 | None | None | None | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 486 | 10 | 5 | 8 | 1.5 | NS(=O)(=O)c1cc(NCCNCC(O)COc2cccc3c2SCC(=O)N3)ccc1Cl | 10.1021/jm00053a020 | |||
| CHEMBL43968 | 333682 | 0 | None | None | None | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 486 | 10 | 5 | 8 | 1.5 | NS(=O)(=O)c1cc(NCCNCC(O)COc2cccc3c2SCC(=O)N3)ccc1Cl | 10.1021/jm00053a020 | |||
| 118710948 | 232788 | 0 | None | -5 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 386 | 9 | 4 | 5 | 3.5 | CCCCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2014.06.014 | |||
| CHEMBL3323668 | 232788 | 0 | None | -5 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 386 | 9 | 4 | 5 | 3.5 | CCCCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2014.06.014 | |||
| 44433250 | 179934 | 0 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 340 | 6 | 3 | 3 | 3.5 | O[C@@H](CNC12CC3CC(CC(C3)C1)C2)COc1cccc2[nH]ccc12 | 10.1016/j.bmcl.2007.07.086 | |||
| CHEMBL236514 | 179934 | 0 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 340 | 6 | 3 | 3 | 3.5 | O[C@@H](CNC12CC3CC(CC(C3)C1)C2)COc1cccc2[nH]ccc12 | 10.1016/j.bmcl.2007.07.086 | |||
| 11647002 | 39528 | 0 | None | -22 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 400 | 7 | 4 | 6 | 3.1 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCC[C@@H]3OCc3ccccc3)c2s1 | 10.1016/j.bmcl.2014.06.014 | |||
| CHEMBL1221681 | 39528 | 0 | None | -22 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 400 | 7 | 4 | 6 | 3.1 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCC[C@@H]3OCc3ccccc3)c2s1 | 10.1016/j.bmcl.2014.06.014 | |||
| 52943932 | 41625 | 0 | None | -16 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 485 | 8 | 2 | 8 | 4.2 | N#Cc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1258705 | 41625 | 0 | None | -16 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 485 | 8 | 2 | 8 | 4.2 | N#Cc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | |||
| 155564274 | 349424 | 0 | None | 19 | 2 | Mouse | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 643 | 19 | 4 | 11 | 3.7 | Cn1cc(C(F)(F)F)nc1-c1ccc(OC[C@@H](O)CNCCOc2ccc(OCCCSSCCN)c(C(N)=O)c2)cc1 | 10.1016/j.bmc.2019.05.034 | |||
| CHEMBL4576034 | 349424 | 0 | None | 19 | 2 | Mouse | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 643 | 19 | 4 | 11 | 3.7 | Cn1cc(C(F)(F)F)nc1-c1ccc(OC[C@@H](O)CNCCOc2ccc(OCCCSSCCN)c(C(N)=O)c2)cc1 | 10.1016/j.bmc.2019.05.034 | |||
| 52947562 | 41556 | 0 | None | 1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 384 | 7 | 2 | 7 | 2.7 | OC(CNC1CCN(c2ncnc3sccc23)CC1)COc1ccccc1 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1258486 | 41556 | 0 | None | 1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 384 | 7 | 2 | 7 | 2.7 | OC(CNC1CCN(c2ncnc3sccc23)CC1)COc1ccccc1 | 10.1016/j.bmcl.2010.08.039 | |||
| 46889730 | 21452 | 0 | None | -42 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 436 | 8 | 1 | 5 | 3.6 | CC(C)c1ccccc1OCC(O)CN1CCC(CN2C(=O)c3ccccc3C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL1085270 | 21452 | 0 | None | -42 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 436 | 8 | 1 | 5 | 3.6 | CC(C)c1ccccc1OCC(O)CN1CCC(CN2C(=O)c3ccccc3C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| 9958539 | 203155 | 0 | None | -1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 527 | 3 | 2 | 5 | 3.4 | COc1c(I)cc(CC2NCCc3nc(N)sc32)cc1I | 10.1021/jm990012z | |||
| CHEMBL307647 | 203155 | 0 | None | -1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 527 | 3 | 2 | 5 | 3.4 | COc1c(I)cc(CC2NCCc3nc(N)sc32)cc1I | 10.1021/jm990012z | |||
| 1800 | 473856 | 65 | None | -38 | 34 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | |||
| 4189 | 473856 | 65 | None | -38 | 34 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | |||
| CHEMBL91 | 473856 | 65 | None | -38 | 34 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | |||
| DB01110 | 473856 | 65 | None | -38 | 34 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | |||
| 44444187 | 194873 | 0 | None | -23 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 484 | 12 | 4 | 6 | 3.6 | COc1ccc([C@H](CCc2ccccc2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1 | 10.1016/j.bmcl.2007.05.030 | |||
| CHEMBL251347 | 194873 | 0 | None | -23 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 484 | 12 | 4 | 6 | 3.6 | COc1ccc([C@H](CCc2ccccc2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1 | 10.1016/j.bmcl.2007.05.030 | |||
| 5187268 | 20906 | 12 | None | -10 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 501 | 9 | 1 | 6 | 3.6 | CC(C)c1ccccc1OCC(O)CN1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL1083053 | 20906 | 12 | None | -10 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 501 | 9 | 1 | 6 | 3.6 | CC(C)c1ccccc1OCC(O)CN1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| 155524756 | 335547 | 0 | None | 1 | 2 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 510 | 19 | 3 | 9 | 3.2 | COCCc1ccc(OC[C@H](O)CNCCc2ccc(OCCSSCCN)c(OC)c2)cc1 | 10.1016/j.bmc.2019.05.034 | |||
| CHEMBL4456505 | 335547 | 0 | None | 1 | 2 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 510 | 19 | 3 | 9 | 3.2 | COCCc1ccc(OC[C@H](O)CNCCc2ccc(OCCSSCCN)c(OC)c2)cc1 | 10.1016/j.bmc.2019.05.034 | |||
| 155540000 | 346619 | 0 | None | 1 | 2 | Mouse | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 349 | 10 | 4 | 7 | 1.5 | COc1ccccc1OCCNC[C@@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
| CHEMBL4515498 | 346619 | 0 | None | 1 | 2 | Mouse | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 349 | 10 | 4 | 7 | 1.5 | COc1ccccc1OCCNC[C@@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
| 3198 | 461850 | 54 | None | -38 | 34 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
| 983 | 461850 | 54 | None | -38 | 34 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
| CHEMBL808 | 461850 | 54 | None | -38 | 34 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
| DB01127 | 461850 | 54 | None | -38 | 34 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
| 2723782 | 178399 | 48 | None | None | None | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 190 | 1 | 1 | 2 | 1.7 | Cc1ccc(N2CCNCC2)cc1C | 10.1021/jm400140q | |||
| CHEMBL2335160 | 178399 | 48 | None | None | None | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 190 | 1 | 1 | 2 | 1.7 | Cc1ccc(N2CCNCC2)cc1C | 10.1021/jm400140q | |||
| 13720716 | 116571 | 0 | None | -1 | 2 | Guinea pig | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 363 | 5 | 3 | 6 | 2.7 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)c(F)c32)cc(OC)c1OC | 10.1021/jm00081a007 | |||
| CHEMBL1788251 | 116571 | 0 | None | -1 | 2 | Guinea pig | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 363 | 5 | 3 | 6 | 2.7 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)c(F)c32)cc(OC)c1OC | 10.1021/jm00081a007 | |||
| 2249 | 1058 | 67 | None | 1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | nan | |||
| 255 | 1058 | 67 | None | 1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | nan | |||
| 548 | 1058 | 67 | None | 1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | nan | |||
| CHEMBL24 | 1058 | 67 | None | 1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | nan | |||
| DB00335 | 1058 | 67 | None | 1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | nan | |||
| 10472143 | 232141 | 0 | None | -169 | 16 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 335 | 1 | 1 | 2 | 3.0 | C[C@H]1C[C@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1 | 10.1021/jm020153s | |||
| CHEMBL343755 | 232141 | 0 | None | -169 | 16 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 335 | 1 | 1 | 2 | 3.0 | C[C@H]1C[C@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1 | 10.1021/jm020153s | |||
| 46889809 | 20977 | 0 | None | -1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 519 | 6 | 2 | 5 | 5.0 | O=C1c2cccc3cccc(c23)C(=O)N1C1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL1083363 | 20977 | 0 | None | -1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 519 | 6 | 2 | 5 | 5.0 | O=C1c2cccc3cccc(c23)C(=O)N1C1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| 10375227 | 25497 | 0 | None | 2 | 2 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 188 | 5 | 2 | 4 | 0.8 | C/C=N/OCC(O)CNC(C)(C)C | 10.1021/jm00036a018 | |||
| CHEMBL1178761 | 25497 | 0 | None | 2 | 2 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 188 | 5 | 2 | 4 | 0.8 | C/C=N/OCC(O)CNC(C)(C)C | 10.1021/jm00036a018 | |||
| 12353629 | 468892 | 0 | None | -23 | 3 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 237 | 2 | 4 | 4 | 1.4 | CC(C)N[C@@H]1CCc2c(ccc(O)c2O)[C@H]1O | 10.1021/jm00084a006 | |||
| CHEMBL6913 | 468892 | 0 | None | -23 | 3 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 237 | 2 | 4 | 4 | 1.4 | CC(C)N[C@@H]1CCc2c(ccc(O)c2O)[C@H]1O | 10.1021/jm00084a006 | |||
| 9908924 | 278862 | 0 | None | -9 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 399 | 9 | 3 | 5 | 2.8 | C[C@H](Cc1ccc(OCS(=O)(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/S0960-894X(97)00266-7 | |||
| CHEMBL38538 | 278862 | 0 | None | -9 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 399 | 9 | 3 | 5 | 2.8 | C[C@H](Cc1ccc(OCS(=O)(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/S0960-894X(97)00266-7 | |||
| 75201901 | 331247 | 26 | None | -562 | 24 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 356 | 3 | 0 | 6 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
| CHEMBL4277264 | 331247 | 26 | None | -562 | 24 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 356 | 3 | 0 | 6 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
| 118710943 | 232781 | 0 | None | -5 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 384 | 5 | 4 | 5 | 3.6 | Cc1cccc([C@H]2CCC[C@H]2NC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2014.06.014 | |||
| CHEMBL3323661 | 232781 | 0 | None | -5 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 384 | 5 | 4 | 5 | 3.6 | Cc1cccc([C@H]2CCC[C@H]2NC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2014.06.014 | |||
| 63180 | 158440 | 6 | None | None | None | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 411 | 7 | 2 | 7 | 2.7 | COc1ccc2nc(-c3ccc(OCC(O)CNC(C)(C)C)cc3)n(C)c(=O)c2c1 | 10.1016/j.bmcl.2011.06.106 | |||
| CHEMBL2068824 | 158440 | 6 | None | None | None | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 411 | 7 | 2 | 7 | 2.7 | COc1ccc2nc(-c3ccc(OCC(O)CNC(C)(C)C)cc3)n(C)c(=O)c2c1 | 10.1016/j.bmcl.2011.06.106 | |||
| 44571260 | 27001 | 0 | None | None | None | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 309 | 7 | 1 | 4 | 3.5 | C=CCNCCCOc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2008.12.031 | |||
| CHEMBL1187740 | 27001 | 0 | None | None | None | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 309 | 7 | 1 | 4 | 3.5 | C=CCNCCCOc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2008.12.031 | |||
| 16735494 | 270637 | 0 | None | -3 | 2 | Rat | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@H](Cc1ccccc1)NC[C@@H](O)c1cc(O)cc(O)c1 | nan | |||
| CHEMBL387825 | 270637 | 0 | None | -3 | 2 | Rat | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@H](Cc1ccccc1)NC[C@@H](O)c1cc(O)cc(O)c1 | nan | |||
| 16735494 | 270637 | 0 | None | -3 | 2 | Rat | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@H](Cc1ccccc1)NC[C@@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | |||
| CHEMBL387825 | 270637 | 0 | None | -3 | 2 | Rat | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@H](Cc1ccccc1)NC[C@@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | |||
| 11776640 | 27800 | 0 | None | -16 | 3 | Guinea pig | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 245 | 3 | 1 | 5 | 1.1 | CCCc1cnc2c(N3CCNCC3)nccn12 | 10.1021/jm00099a012 | |||
| CHEMBL1193824 | 27800 | 0 | None | -16 | 3 | Guinea pig | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 245 | 3 | 1 | 5 | 1.1 | CCCc1cnc2c(N3CCNCC3)nccn12 | 10.1021/jm00099a012 | |||
| 49864394 | 39526 | 0 | None | -6 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 322 | 4 | 4 | 5 | 2.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNC3CCCCCC3)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
| CHEMBL1221679 | 39526 | 0 | None | -6 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 322 | 4 | 4 | 5 | 2.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNC3CCCCCC3)c2s1 | 10.1016/j.bmcl.2010.06.136 | |||
| 2419 | 7043 | 56 | None | -204 | 15 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.06.014 | |||
| 5152 | 7043 | 56 | None | -204 | 15 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.06.014 | |||
| 559 | 7043 | 56 | None | -204 | 15 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.06.014 | |||
| CHEMBL1263 | 7043 | 56 | None | -204 | 15 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.06.014 | |||
| DB00938 | 7043 | 56 | None | -204 | 15 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.06.014 | |||
| 127047859 | 277345 | 0 | None | -28 | 6 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 476 | 12 | 3 | 6 | 4.1 | COc1cc(CCNCCc2ccc(O)c3c2OCC(=O)N3)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | |||
| CHEMBL3800341 | 277345 | 0 | None | -28 | 6 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 476 | 12 | 3 | 6 | 4.1 | COc1cc(CCNCCc2ccc(O)c3c2OCC(=O)N3)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | |||
| 9871887 | 203248 | 0 | None | -6 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 537 | 3 | 3 | 4 | 3.7 | COc1c(I)cc(CC2NCCc3cc(O)c(O)cc32)cc1I | 10.1021/jm990012z | |||
| CHEMBL308351 | 203248 | 0 | None | -6 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 537 | 3 | 3 | 4 | 3.7 | COc1c(I)cc(CC2NCCc3cc(O)c(O)cc32)cc1I | 10.1021/jm990012z | |||
| 9871887 | 203248 | 0 | None | -6 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 537 | 3 | 3 | 4 | 3.7 | COc1c(I)cc(CC2NCCc3cc(O)c(O)cc32)cc1I | 10.1021/jm960208o | |||
| CHEMBL308351 | 203248 | 0 | None | -6 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 537 | 3 | 3 | 4 | 3.7 | COc1c(I)cc(CC2NCCc3cc(O)c(O)cc32)cc1I | 10.1021/jm960208o | |||
| 9934284 | 181120 | 0 | None | -1995 | 10 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 467 | 6 | 1 | 5 | 4.5 | Cc1ccc2c(OCCN3CCC(Cc4cc5c(cc4F)OCC(=O)N5)CC3)cc(F)cc2n1 | 10.1016/j.bmcl.2006.11.031 | |||
| CHEMBL238520 | 181120 | 0 | None | -1995 | 10 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 467 | 6 | 1 | 5 | 4.5 | Cc1ccc2c(OCCN3CCC(Cc4cc5c(cc4F)OCC(=O)N5)CC3)cc(F)cc2n1 | 10.1016/j.bmcl.2006.11.031 | |||
| 90644139 | 221751 | 0 | None | -100 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 424 | 10 | 5 | 6 | 4.2 | CSc1ccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1 | 10.1016/j.bmcl.2014.04.069 | |||
| CHEMBL3290992 | 221751 | 0 | None | -100 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 424 | 10 | 5 | 6 | 4.2 | CSc1ccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1 | 10.1016/j.bmcl.2014.04.069 | |||
| 90644141 | 221754 | 0 | None | -6 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 396 | 9 | 5 | 5 | 3.6 | OCc1cc(C(O)CNCCc2ccc(Nc3ccc(F)cc3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | |||
| CHEMBL3290995 | 221754 | 0 | None | -6 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 396 | 9 | 5 | 5 | 3.6 | OCc1cc(C(O)CNCCc2ccc(Nc3ccc(F)cc3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | |||
| 145946259 | 332295 | 0 | None | None | None | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 350 | 9 | 3 | 5 | 1.1 | CNCC(O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1 | 10.1021/acs.jmedchem.8b00625 | |||
| CHEMBL4300084 | 332295 | 0 | None | None | None | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 350 | 9 | 3 | 5 | 1.1 | CNCC(O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1 | 10.1021/acs.jmedchem.8b00625 | |||
| 90644146 | 221732 | 0 | None | -5 | 2 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 460 | 10 | 4 | 5 | 4.2 | OCc1cc(C(O)CNCCc2ccc(N3CCC(Cc4ccccc4)CC3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | |||
| CHEMBL3290975 | 221732 | 0 | None | -5 | 2 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 460 | 10 | 4 | 5 | 4.2 | OCc1cc(C(O)CNCCc2ccc(N3CCC(Cc4ccccc4)CC3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | |||
| 49864442 | 39540 | 0 | None | -27 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 373 | 8 | 4 | 6 | 2.4 | CN(CCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)c1ccccc1 | 10.1016/j.bmcl.2010.06.136 | |||
| CHEMBL1221804 | 39540 | 0 | None | -27 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 373 | 8 | 4 | 6 | 2.4 | CN(CCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)c1ccccc1 | 10.1016/j.bmcl.2010.06.136 | |||
| 1499 | 4274 | 42 | None | -33 | 12 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00084a006 | |||
| 3779 | 4274 | 42 | None | -33 | 12 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00084a006 | |||
| 536 | 4274 | 42 | None | -33 | 12 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00084a006 | |||
| CHEMBL434 | 4274 | 42 | None | -33 | 12 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00084a006 | |||
| DB01064 | 4274 | 42 | None | -33 | 12 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00084a006 | |||
| 4421983 | 21599 | 5 | None | 1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 484 | 9 | 1 | 5 | 4.3 | C=CCc1ccccc1OCC(O)CN1CCC(CN2C(=O)c3cccc4cccc(c34)C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL1086005 | 21599 | 5 | None | 1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 484 | 9 | 1 | 5 | 4.3 | C=CCc1ccccc1OCC(O)CN1CCC(CN2C(=O)c3cccc4cccc(c34)C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| 1499 | 4274 | 42 | None | -33 | 12 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00073a006 | |||
| 3779 | 4274 | 42 | None | -33 | 12 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00073a006 | |||
| 536 | 4274 | 42 | None | -33 | 12 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00073a006 | |||
| CHEMBL434 | 4274 | 42 | None | -33 | 12 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00073a006 | |||
| DB01064 | 4274 | 42 | None | -33 | 12 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00073a006 | |||
| 129896798 | 366054 | 45 | None | 1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 366 | 7 | 2 | 3 | 4.5 | Cc1ccc(CN(CC(O)COc2cccc3[nH]ccc23)C(C)(C)C)cc1 | 10.1021/acs.jmedchem.0c01450 | |||
| CHEMBL4789047 | 366054 | 45 | None | 1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 366 | 7 | 2 | 3 | 4.5 | Cc1ccc(CN(CC(O)COc2cccc3[nH]ccc23)C(C)(C)C)cc1 | 10.1021/acs.jmedchem.0c01450 | |||
| 12353620 | 469261 | 1 | None | -66 | 2 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 195 | 0 | 4 | 4 | 0.4 | N[C@@H]1CCc2c(ccc(O)c2O)[C@H]1O | 10.1021/jm00084a006 | |||
| CHEMBL7160 | 469261 | 1 | None | -66 | 2 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 195 | 0 | 4 | 4 | 0.4 | N[C@@H]1CCc2c(ccc(O)c2O)[C@H]1O | 10.1021/jm00084a006 | |||
| 2419 | 7043 | 56 | None | -204 | 15 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2010.06.136 | |||
| 5152 | 7043 | 56 | None | -204 | 15 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2010.06.136 | |||
| 559 | 7043 | 56 | None | -204 | 15 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2010.06.136 | |||
| CHEMBL1263 | 7043 | 56 | None | -204 | 15 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2010.06.136 | |||
| DB00938 | 7043 | 56 | None | -204 | 15 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2010.06.136 | |||
| 44351377 | 236639 | 0 | None | None | None | Rat | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 203 | 3 | 3 | 3 | 0.9 | CNCC(O)c1c(F)ccc(O)c1F | 10.1021/jm00076a024 | |||
| CHEMBL340189 | 236639 | 0 | None | None | None | Rat | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 203 | 3 | 3 | 3 | 0.9 | CNCC(O)c1c(F)ccc(O)c1F | 10.1021/jm00076a024 | |||
| 15077956 | 333831 | 0 | None | None | None | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 477 | 10 | 4 | 6 | 1.9 | NS(=O)(=O)c1cc(C(=O)NCCNCC(O)COc2cccc3ccccc23)ccc1Cl | 10.1021/jm00053a020 | |||
| CHEMBL44097 | 333831 | 0 | None | None | None | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 477 | 10 | 4 | 6 | 1.9 | NS(=O)(=O)c1cc(C(=O)NCCNCC(O)COc2cccc3ccccc23)ccc1Cl | 10.1021/jm00053a020 | |||
| 2464 | 7398 | 37 | None | -2 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | nan | |||
| 5253 | 7398 | 37 | None | -2 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | nan | |||
| 7297 | 7398 | 37 | None | -2 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | nan | |||
| CHEMBL471 | 7398 | 37 | None | -2 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | nan | |||
| DB00489 | 7398 | 37 | None | -2 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | nan | |||
| 9928332 | 197495 | 3 | None | -416 | 9 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 5.0 | COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2ccoc2c1 | 10.1016/0960-894X(95)00398-D | |||
| CHEMBL268258 | 197495 | 3 | None | -416 | 9 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 5.0 | COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2ccoc2c1 | 10.1016/0960-894X(95)00398-D | |||
| 44570783 | 26865 | 0 | None | None | None | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 325 | 7 | 2 | 5 | 2.5 | C=CCNCC(O)COc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2008.12.031 | |||
| CHEMBL1186914 | 26865 | 0 | None | None | None | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 325 | 7 | 2 | 5 | 2.5 | C=CCNCC(O)COc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2008.12.031 | |||
| 127046950 | 277339 | 0 | None | -4 | 6 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 437 | 12 | 4 | 6 | 4.0 | COc1cc(CCNC[C@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | |||
| CHEMBL3800303 | 277339 | 0 | None | -4 | 6 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 437 | 12 | 4 | 6 | 4.0 | COc1cc(CCNC[C@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | |||
| 127046950 | 277339 | 0 | None | -4 | 6 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 437 | 12 | 4 | 6 | 4.0 | COc1cc(CCNC[C@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | |||
| CHEMBL3800303 | 277339 | 0 | None | -4 | 6 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 437 | 12 | 4 | 6 | 4.0 | COc1cc(CCNC[C@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | |||
| 2736067 | 178396 | 47 | None | 93 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 230 | 1 | 1 | 2 | 2.4 | Clc1cc(Cl)cc(N2CCNCC2)c1 | 10.1021/jm400140q | |||
| CHEMBL2335158 | 178396 | 47 | None | 93 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 230 | 1 | 1 | 2 | 2.4 | Clc1cc(Cl)cc(N2CCNCC2)c1 | 10.1021/jm400140q | |||
| 10442852 | 25494 | 0 | None | -1 | 2 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 202 | 6 | 2 | 4 | 1.1 | CCCO/N=C/C(O)CNC(C)(C)C | 10.1021/jm00036a018 | |||
| CHEMBL1178755 | 25494 | 0 | None | -1 | 2 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 202 | 6 | 2 | 4 | 1.1 | CCCO/N=C/C(O)CNC(C)(C)C | 10.1021/jm00036a018 | |||
| 10012704 | 25501 | 0 | None | 1 | 2 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 188 | 5 | 2 | 4 | 0.8 | CCO/N=C/C(O)CNC(C)(C)C | 10.1021/acs.jmedchem.1c01215 | |||
| CHEMBL1178768 | 25501 | 0 | None | 1 | 2 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 188 | 5 | 2 | 4 | 0.8 | CCO/N=C/C(O)CNC(C)(C)C | 10.1021/acs.jmedchem.1c01215 | |||
| 146025727 | 336217 | 0 | None | -316 | 27 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 411 | 3 | 0 | 5 | 6.4 | FC(F)(F)c1cc(Oc2nccc3ccsc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
| CHEMBL4466483 | 336217 | 0 | None | -316 | 27 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 411 | 3 | 0 | 5 | 6.4 | FC(F)(F)c1cc(Oc2nccc3ccsc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
| 130442572 | 336435 | 0 | None | -181 | 24 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 395 | 3 | 0 | 5 | 6.0 | FC(F)(F)c1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
| CHEMBL4469848 | 336435 | 0 | None | -181 | 24 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 395 | 3 | 0 | 5 | 6.0 | FC(F)(F)c1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
| 145946488 | 332309 | 0 | None | None | None | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 435 | 10 | 2 | 7 | 3.4 | COc1ccccc1OCCNCC(O)COc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2018.04.038 | |||
| CHEMBL4300195 | 332309 | 0 | None | None | None | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 435 | 10 | 2 | 7 | 3.4 | COc1ccccc1OCCNCC(O)COc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2018.04.038 | |||
| 52943770 | 41239 | 0 | None | -9 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 492 | 8 | 4 | 9 | 3.8 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1O | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1257438 | 41239 | 0 | None | -9 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 492 | 8 | 4 | 9 | 3.8 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1O | 10.1016/j.bmcl.2010.08.039 | |||
| 181743 | 346764 | 4 | None | -4265 | 22 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 339 | 2 | 0 | 5 | 3.2 | COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2)OCO4 | 10.1016/j.bmcl.2009.11.053 | |||
| CHEMBL467094 | 346764 | 4 | None | -4265 | 22 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 339 | 2 | 0 | 5 | 3.2 | COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2)OCO4 | 10.1016/j.bmcl.2009.11.053 | |||
| 155513731 | 327813 | 0 | None | -2 | 2 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 241 | 6 | 4 | 5 | 0.8 | CC(C)NC[C@@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
| CHEMBL4439238 | 327813 | 0 | None | -2 | 2 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 241 | 6 | 4 | 5 | 0.8 | CC(C)NC[C@@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | |||
| 25120700 | 162678 | 0 | None | -5 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 369 | 7 | 1 | 5 | 3.0 | COc1ccc(N2CCN(CC[C@@H](OC(N)=O)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.02.023 | |||
| CHEMBL2158704 | 162678 | 0 | None | -5 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 369 | 7 | 1 | 5 | 3.0 | COc1ccc(N2CCN(CC[C@@H](OC(N)=O)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.02.023 | |||
| 2723 | 123170 | 6 | None | -4 | 6 | Guinea pig | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 345 | 5 | 3 | 6 | 2.6 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | 10.1021/jm00081a007 | |||
| 65772 | 123170 | 6 | None | -4 | 6 | Guinea pig | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 345 | 5 | 3 | 6 | 2.6 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | 10.1021/jm00081a007 | |||
| CHEMBL174984 | 123170 | 6 | None | -4 | 6 | Guinea pig | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 345 | 5 | 3 | 6 | 2.6 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | 10.1021/jm00081a007 | |||
| DB13692 | 123170 | 6 | None | -4 | 6 | Guinea pig | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 345 | 5 | 3 | 6 | 2.6 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | 10.1021/jm00081a007 | |||
| 131487 | 19320 | 8 | None | None | None | Rat | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 273 | 5 | 4 | 5 | 1.4 | CC(C)(C)NCC(O)COc1cc(O)c(O)cc1F | 10.1021/jm00107a027 | |||
| CHEMBL10494 | 19320 | 8 | None | None | None | Rat | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 273 | 5 | 4 | 5 | 1.4 | CC(C)(C)NCC(O)COc1cc(O)c(O)cc1F | 10.1021/jm00107a027 | |||
| 44396729 | 139149 | 0 | None | -34 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 528 | 10 | 5 | 7 | 2.8 | CS(=O)(=O)c1cccc2c(CCNC[C@H](O)c3cccc(NS(=O)(=O)c4cccc(N)c4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.09.054 | |||
| CHEMBL186247 | 139149 | 0 | None | -34 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 528 | 10 | 5 | 7 | 2.8 | CS(=O)(=O)c1cccc2c(CCNC[C@H](O)c3cccc(NS(=O)(=O)c4cccc(N)c4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.09.054 | |||
| 46889770 | 21050 | 0 | None | -5 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 306 | 7 | 2 | 4 | 2.2 | CC(C)c1ccccc1OCC(O)CNC1CCN(C)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL1083670 | 21050 | 0 | None | -5 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 306 | 7 | 2 | 4 | 2.2 | CC(C)c1ccccc1OCC(O)CNC1CCN(C)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| 49864335 | 39506 | 0 | None | -4 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 338 | 5 | 4 | 5 | 3.1 | CC(C)(C)CC(C)(C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 | 10.1016/j.bmcl.2010.06.136 | |||
| CHEMBL1221543 | 39506 | 0 | None | -4 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 338 | 5 | 4 | 5 | 3.1 | CC(C)(C)CC(C)(C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 | 10.1016/j.bmcl.2010.06.136 | |||
| 49864357 | 39513 | 0 | None | -45 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 397 | 6 | 4 | 7 | 3.1 | Cc1onc(-c2ccccc2)c1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 | 10.1016/j.bmcl.2010.06.136 | |||
| CHEMBL1221588 | 39513 | 0 | None | -45 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 397 | 6 | 4 | 7 | 3.1 | Cc1onc(-c2ccccc2)c1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 | 10.1016/j.bmcl.2010.06.136 | |||
| 4183 | 4137 | 48 | None | -1 | 8 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1016/j.bmcl.2014.06.014 | |||
| 6918554 | 4137 | 48 | None | -1 | 8 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1016/j.bmcl.2014.06.014 | |||
| 7455 | 4137 | 48 | None | -1 | 8 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1016/j.bmcl.2014.06.014 | |||
| CHEMBL1095777 | 4137 | 48 | None | -1 | 8 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1016/j.bmcl.2014.06.014 | |||
| DB05039 | 4137 | 48 | None | -1 | 8 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1016/j.bmcl.2014.06.014 | |||
| 4183 | 4137 | 48 | None | -1 | 8 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1016/j.bmcl.2010.06.136 | |||
| 6918554 | 4137 | 48 | None | -1 | 8 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1016/j.bmcl.2010.06.136 | |||
| 7455 | 4137 | 48 | None | -1 | 8 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1016/j.bmcl.2010.06.136 | |||
| CHEMBL1095777 | 4137 | 48 | None | -1 | 8 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1016/j.bmcl.2010.06.136 | |||
| DB05039 | 4137 | 48 | None | -1 | 8 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1016/j.bmcl.2010.06.136 | |||
| 9894801 | 239370 | 0 | None | -4 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 592 | 11 | 5 | 10 | 1.7 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(CC4SC(=O)N(CC(=O)O)C4=O)cc3)CC2)ccc1O | 10.1016/s0960-894x(01)00147-0 | |||
| CHEMBL354906 | 239370 | 0 | None | -4 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 592 | 11 | 5 | 10 | 1.7 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(CC4SC(=O)N(CC(=O)O)C4=O)cc3)CC2)ccc1O | 10.1016/s0960-894x(01)00147-0 | |||
| 24936627 | 41555 | 0 | None | -41 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 444 | 8 | 4 | 9 | 2.2 | Cc1csc2ncnc(N3CCC(NCC(O)COc4ccc(O)c(CO)c4)CC3)c12 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1258485 | 41555 | 0 | None | -41 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 444 | 8 | 4 | 9 | 2.2 | Cc1csc2ncnc(N3CCC(NCC(O)COc4ccc(O)c(CO)c4)CC3)c12 | 10.1016/j.bmcl.2010.08.039 | |||
| 52949489 | 41417 | 0 | None | -30 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 490 | 9 | 2 | 8 | 4.4 | COc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1258024 | 41417 | 0 | None | -30 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 490 | 9 | 2 | 8 | 4.4 | COc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | |||
| 9827999 | 258795 | 0 | None | 7 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 519 | 9 | 5 | 10 | 0.5 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(Cn4oc(=O)[nH]c4=O)cc3)CC2)ccc1O | 10.1016/s0960-894x(01)00147-0 | |||
| CHEMBL368584 | 258795 | 0 | None | 7 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 519 | 9 | 5 | 10 | 0.5 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(Cn4oc(=O)[nH]c4=O)cc3)CC2)ccc1O | 10.1016/s0960-894x(01)00147-0 | |||
| 130442480 | 349282 | 0 | None | -117 | 24 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 410 | 3 | 0 | 6 | 5.7 | Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1C(F)(F)F | 10.1021/acs.jmedchem.9b00351 | |||
| CHEMBL4572614 | 349282 | 0 | None | -117 | 24 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 410 | 3 | 0 | 6 | 5.7 | Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1C(F)(F)F | 10.1021/acs.jmedchem.9b00351 | |||
| 4407909 | 385410 | 0 | None | -16 | 10 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 356 | 4 | 2 | 4 | 3.6 | COc1cc(OC)c(C2NCCc3c2[nH]c2ccc(F)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | |||
| CHEMBL5221893 | 385410 | 0 | None | -16 | 10 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 356 | 4 | 2 | 4 | 3.6 | COc1cc(OC)c(C2NCCc3c2[nH]c2ccc(F)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | |||
| 10112744 | 310688 | 0 | None | None | None | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 418 | 9 | 2 | 7 | 4.0 | O[C@@H](CNCCOc1ccc(-c2csc(-c3ccncc3)n2)cc1)c1cccnc1 | 10.1016/j.bmcl.2007.06.072 | |||
| CHEMBL399522 | 310688 | 0 | None | None | None | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 418 | 9 | 2 | 7 | 4.0 | O[C@@H](CNCCOc1ccc(-c2csc(-c3ccncc3)n2)cc1)c1cccnc1 | 10.1016/j.bmcl.2007.06.072 | |||
| 128658 | 77466 | 4 | None | -1 | 2 | Guinea pig | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 363 | 5 | 3 | 6 | 2.7 | COc1cc(CC2NCCc3cc(O)c(O)c(F)c32)cc(OC)c1OC | 10.1021/jm00081a007 | |||
| CHEMBL142428 | 77466 | 4 | None | -1 | 2 | Guinea pig | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 363 | 5 | 3 | 6 | 2.7 | COc1cc(CC2NCCc3cc(O)c(O)c(F)c32)cc(OC)c1OC | 10.1021/jm00081a007 | |||
| 2303 | 6476 | 48 | None | -27 | 19 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2008.12.031 | |||
| 4946 | 6476 | 48 | None | -27 | 19 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2008.12.031 | |||
| 564 | 6476 | 48 | None | -27 | 19 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2008.12.031 | |||
| 63 | 6476 | 48 | None | -27 | 19 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2008.12.031 | |||
| 91536 | 6476 | 48 | None | -27 | 19 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2008.12.031 | |||
| CHEMBL27 | 6476 | 48 | None | -27 | 19 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2008.12.031 | |||
| CHEMBL452861 | 6476 | 48 | None | -27 | 19 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2008.12.031 | |||
| DB00571 | 6476 | 48 | None | -27 | 19 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2008.12.031 | |||
| 24936489 | 41388 | 0 | None | -12 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 476 | 8 | 3 | 8 | 4.1 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1257914 | 41388 | 0 | None | -12 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 476 | 8 | 3 | 8 | 4.1 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | |||
| 71612644 | 270864 | 0 | None | 2 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 303 | 7 | 2 | 5 | 0.5 | N#CC1CCCN1C(=O)CNCC(O)COc1ccccc1 | nan | |||
| CHEMBL3704833 | 270864 | 0 | None | 2 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 303 | 7 | 2 | 5 | 0.5 | N#CC1CCCN1C(=O)CNCC(O)COc1ccccc1 | nan | |||
| 52943383 | 41451 | 0 | None | -16 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 544 | 9 | 2 | 8 | 5.3 | OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1cccc(OC(F)(F)F)c1 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1258142 | 41451 | 0 | None | -16 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 544 | 9 | 2 | 8 | 5.3 | OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1cccc(OC(F)(F)F)c1 | 10.1016/j.bmcl.2010.08.039 | |||
| 1016 | 8173 | 46 | None | -43 | 35 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
| 2561 | 8173 | 46 | None | -43 | 35 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
| 2733526 | 8173 | 46 | None | -43 | 35 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
| CHEMBL83 | 8173 | 46 | None | -43 | 35 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
| DB00675 | 8173 | 46 | None | -43 | 35 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
| 11962616 | 457 | 21 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | Guide to Pharmacology | 460 | 13 | 4 | 5 | 4.2 | O=c1ccc2c([nH]1)c(O)ccc2[C@H](CNCCCCCCOCC(c1ccccc1)(F)F)O | 22588259 | |||
| 9326 | 457 | 21 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | Guide to Pharmacology | 460 | 13 | 4 | 5 | 4.2 | O=c1ccc2c([nH]1)c(O)ccc2[C@H](CNCCCCCCOCC(c1ccccc1)(F)F)O | 22588259 | |||
| CHEMBL3039530 | 457 | 21 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | Guide to Pharmacology | 460 | 13 | 4 | 5 | 4.2 | O=c1ccc2c([nH]1)c(O)ccc2[C@H](CNCCCCCCOCC(c1ccccc1)(F)F)O | 22588259 | |||
| DB12100 | 457 | 21 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | Guide to Pharmacology | 460 | 13 | 4 | 5 | 4.2 | O=c1ccc2c([nH]1)c(O)ccc2[C@H](CNCCCCCCOCC(c1ccccc1)(F)F)O | 22588259 | |||
| 2803 | 1967 | 0 | None | 1 | 2 | Guinea pig | 8.4 | pKd | = | 8.4 | Binding | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
| 516 | 1967 | 0 | None | 1 | 2 | Guinea pig | 8.4 | pKd | = | 8.4 | Binding | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
| 704 | 1967 | 0 | None | 1 | 2 | Guinea pig | 8.4 | pKd | = | 8.4 | Binding | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
| CHEMBL134 | 1967 | 0 | None | 1 | 2 | Guinea pig | 8.4 | pKd | = | 8.4 | Binding | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
| DB00575 | 1967 | 0 | None | 1 | 2 | Guinea pig | 8.4 | pKd | = | 8.4 | Binding | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
| 3486 | 6418 | 47 | None | 3 | 6 | Rat | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | None | |||
| 4883 | 6418 | 47 | None | 3 | 6 | Rat | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | None | |||
| 555 | 6418 | 47 | None | 3 | 6 | Rat | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | None | |||
| CHEMBL6995 | 6418 | 47 | None | 3 | 6 | Rat | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | None | |||
| DB01297 | 6418 | 47 | None | 3 | 6 | Rat | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | None | |||
| 3083544 | 57618 | 28 | None | 1 | 2 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | None | |||
| 4943 | 57618 | 28 | None | 1 | 2 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | None | |||
| CHEMBL1363 | 57618 | 28 | None | 1 | 2 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | None | |||
| DB00983 | 57618 | 28 | None | 1 | 2 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | None | |||
| DB01274 | 57618 | 28 | None | 1 | 2 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | None | |||
| 3486 | 6418 | 47 | None | -6 | 6 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | None | |||
| 4883 | 6418 | 47 | None | -6 | 6 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | None | |||
| 555 | 6418 | 47 | None | -6 | 6 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | None | |||
| CHEMBL6995 | 6418 | 47 | None | -6 | 6 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | None | |||
| DB01297 | 6418 | 47 | None | -6 | 6 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | None | |||
| 1054 | 3263 | 41 | None | 6 | 2 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | None | |||
| 59768 | 3263 | 41 | None | 6 | 2 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | None | |||
| 7178 | 3263 | 41 | None | 6 | 2 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | None | |||
| CHEMBL768 | 3263 | 41 | None | 6 | 2 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | None | |||
| DB00187 | 3263 | 41 | None | 6 | 2 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | None | |||
| 2249 | 1058 | 67 | None | 3 | 3 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | |||
| 255 | 1058 | 67 | None | 3 | 3 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | |||
| 548 | 1058 | 67 | None | 3 | 3 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | |||
| CHEMBL24 | 1058 | 67 | None | 3 | 3 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | |||
| DB00335 | 1058 | 67 | None | 3 | 3 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | |||
| 175540 | 232138 | 36 | None | -1 | 2 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 266 | 8 | 3 | 4 | 0.5 | CC(C)NC[C@H](O)COc1ccc(CC(N)=O)cc1 | None | |||
| 4702 | 232138 | 36 | None | -1 | 2 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 266 | 8 | 3 | 4 | 0.5 | CC(C)NC[C@H](O)COc1ccc(CC(N)=O)cc1 | None | |||
| CHEMBL343633 | 232138 | 36 | None | -1 | 2 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 266 | 8 | 3 | 4 | 0.5 | CC(C)NC[C@H](O)COc1ccc(CC(N)=O)cc1 | None | |||
| DB13443 | 232138 | 36 | None | -1 | 2 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 266 | 8 | 3 | 4 | 0.5 | CC(C)NC[C@H](O)COc1ccc(CC(N)=O)cc1 | None | |||
| 155774 | 8875 | 30 | None | 8 | 3 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | None | |||
| 2848 | 8875 | 30 | None | 8 | 3 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | None | |||
| 538 | 8875 | 30 | None | 8 | 3 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | None | |||
| CHEMBL75753 | 8875 | 30 | None | 8 | 3 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | None | |||
| DB13781 | 8875 | 30 | None | 8 | 3 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | None | |||
| 1786 | 5120 | 49 | None | -2 | 5 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | None | |||
| 4171 | 5120 | 49 | None | -2 | 5 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | None | |||
| 553 | 5120 | 49 | None | -2 | 5 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | None | |||
| CHEMBL13 | 5120 | 49 | None | -2 | 5 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | None | |||
| DB00264 | 5120 | 49 | None | -2 | 5 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | None | |||
| 2369 | 1284 | 48 | None | -3 | 5 | Rat | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | None | |||
| 356 | 1284 | 48 | None | -3 | 5 | Rat | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | None | |||
| 549 | 1284 | 48 | None | -3 | 5 | Rat | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | None | |||
| CHEMBL423 | 1284 | 48 | None | -3 | 5 | Rat | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | None | |||
| DB00195 | 1284 | 48 | None | -3 | 5 | Rat | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | None | |||
| 18047 | 461728 | 19 | None | 2 | 5 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 223 | 6 | 2 | 3 | 1.7 | Cc1cccc(OCC(O)CNC(C)C)c1 | None | |||
| 3616 | 461728 | 19 | None | 2 | 5 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 223 | 6 | 2 | 3 | 1.7 | Cc1cccc(OCC(O)CNC(C)C)c1 | None | |||
| CHEMBL67096 | 461728 | 19 | None | 2 | 5 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 223 | 6 | 2 | 3 | 1.7 | Cc1cccc(OCC(O)CNC(C)C)c1 | None | |||
| 2369 | 1284 | 48 | None | -10 | 5 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | None | |||
| 356 | 1284 | 48 | None | -10 | 5 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | None | |||
| 549 | 1284 | 48 | None | -10 | 5 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | None | |||
| CHEMBL423 | 1284 | 48 | None | -10 | 5 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | None | |||
| DB00195 | 1284 | 48 | None | -10 | 5 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | None | |||
| 2303 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
| 4946 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
| 564 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
| 63 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
| 91536 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
| CHEMBL27 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
| CHEMBL452861 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
| DB00571 | 6476 | 48 | None | -6 | 8 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
| 2369 | 1284 | 48 | None | 1 | 5 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | None | |||
| 356 | 1284 | 48 | None | 1 | 5 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | None | |||
| 549 | 1284 | 48 | None | 1 | 5 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | None | |||
| CHEMBL423 | 1284 | 48 | None | 1 | 5 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | None | |||
| DB00195 | 1284 | 48 | None | 1 | 5 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | None | |||
| 18047 | 461728 | 19 | None | -2 | 5 | Human | 8.0 | pKd | = | 8.0 | Binding | Drug Central | 223 | 6 | 2 | 3 | 1.7 | Cc1cccc(OCC(O)CNC(C)C)c1 | None | |||
| 3616 | 461728 | 19 | None | -2 | 5 | Human | 8.0 | pKd | = | 8.0 | Binding | Drug Central | 223 | 6 | 2 | 3 | 1.7 | Cc1cccc(OCC(O)CNC(C)C)c1 | None | |||
| CHEMBL67096 | 461728 | 19 | None | -2 | 5 | Human | 8.0 | pKd | = | 8.0 | Binding | Drug Central | 223 | 6 | 2 | 3 | 1.7 | Cc1cccc(OCC(O)CNC(C)C)c1 | None | |||
| 33624 | 8322 | 24 | None | -2 | 2 | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | Drug Central | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | None | |||
| 4061 | 8322 | 24 | None | -2 | 2 | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | Drug Central | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | None | |||
| 565 | 8322 | 24 | None | -2 | 2 | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | Drug Central | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | None | |||
| CHEMBL499 | 8322 | 24 | None | -2 | 2 | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | Drug Central | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | None | |||
| DB00373 | 8322 | 24 | None | -2 | 2 | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | Drug Central | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | None | |||
| 137 | 765 | 35 | None | -15 | 3 | Human | 8.0 | pKd | = | 8.0 | Binding | Drug Central | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | |||
| 2119 | 765 | 35 | None | -15 | 3 | Human | 8.0 | pKd | = | 8.0 | Binding | Drug Central | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | |||
| 563 | 765 | 35 | None | -15 | 3 | Human | 8.0 | pKd | = | 8.0 | Binding | Drug Central | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | |||
| 66368 | 765 | 35 | None | -15 | 3 | Human | 8.0 | pKd | = | 8.0 | Binding | Drug Central | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | |||
| CHEMBL266195 | 765 | 35 | None | -15 | 3 | Human | 8.0 | pKd | = | 8.0 | Binding | Drug Central | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | |||
| DB00866 | 765 | 35 | None | -15 | 3 | Human | 8.0 | pKd | = | 8.0 | Binding | Drug Central | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | |||
| 13191 | 370 | 0 | None | 1 | 2 | Human | 10.4 | pKd | = | 10.4 | Binding | Guide to Pharmacology | 301 | 5 | 3 | 4 | 2.5 | C(C)(C)(C)NC[C@@H](COC1=C2C=C(NC2=C(C=C1)C)C#N)O | 26385885 | |||
| 91885640 | 370 | 0 | None | 1 | 2 | Human | 10.4 | pKd | = | 10.4 | Binding | Guide to Pharmacology | 301 | 5 | 3 | 4 | 2.5 | C(C)(C)(C)NC[C@@H](COC1=C2C=C(NC2=C(C=C1)C)C#N)O | 26385885 | |||
| 132 | 2632 | 14 | None | 19 | 2 | Human | 10.5 | pKd | = | 10.5 | Binding | Guide to Pharmacology | 287 | 5 | 3 | 4 | 2.2 | N#Cc1[nH]c2c(c1)c(OCC(CNC(C)(C)C)O)ccc2 | 20590599 | |||
| 132 | 2632 | 14 | None | 19 | 2 | Human | 10.5 | pKd | = | 10.5 | Binding | Guide to Pharmacology | 287 | 5 | 3 | 4 | 2.2 | N#Cc1[nH]c2c(c1)c(OCC(CNC(C)(C)C)O)ccc2 | 26385885 | |||
| 155346 | 2632 | 14 | None | 19 | 2 | Human | 10.5 | pKd | = | 10.5 | Binding | Guide to Pharmacology | 287 | 5 | 3 | 4 | 2.2 | N#Cc1[nH]c2c(c1)c(OCC(CNC(C)(C)C)O)ccc2 | 20590599 | |||
| 155346 | 2632 | 14 | None | 19 | 2 | Human | 10.5 | pKd | = | 10.5 | Binding | Guide to Pharmacology | 287 | 5 | 3 | 4 | 2.2 | N#Cc1[nH]c2c(c1)c(OCC(CNC(C)(C)C)O)ccc2 | 26385885 | |||
| CHEMBL378501 | 2632 | 14 | None | 19 | 2 | Human | 10.5 | pKd | = | 10.5 | Binding | Guide to Pharmacology | 287 | 5 | 3 | 4 | 2.2 | N#Cc1[nH]c2c(c1)c(OCC(CNC(C)(C)C)O)ccc2 | 20590599 | |||
| CHEMBL378501 | 2632 | 14 | None | 19 | 2 | Human | 10.5 | pKd | = | 10.5 | Binding | Guide to Pharmacology | 287 | 5 | 3 | 4 | 2.2 | N#Cc1[nH]c2c(c1)c(OCC(CNC(C)(C)C)O)ccc2 | 26385885 | |||
| 562 | 7687 | 0 | None | -2 | 5 | Human | 10.9 | pKd | = | 10.9 | Binding | Guide to Pharmacology | 397 | 6 | 3 | 4 | 2.4 | OC(COc1cccc2c1c([125I])c([nH]2)C#N)CNC(C)C | 10079020 | |||
| 562 | 7687 | 0 | None | -2 | 5 | Human | 10.9 | pKd | = | 10.9 | Binding | Guide to Pharmacology | 397 | 6 | 3 | 4 | 2.4 | OC(COc1cccc2c1c([125I])c([nH]2)C#N)CNC(C)C | 10531390 | |||
| 562 | 7687 | 0 | None | -2 | 5 | Human | 10.9 | pKd | = | 10.9 | Binding | Guide to Pharmacology | 397 | 6 | 3 | 4 | 2.4 | OC(COc1cccc2c1c([125I])c([nH]2)C#N)CNC(C)C | 15037517 | |||
| 562 | 7687 | 0 | None | -2 | 5 | Human | 10.9 | pKd | = | 10.9 | Binding | Guide to Pharmacology | 397 | 6 | 3 | 4 | 2.4 | OC(COc1cccc2c1c([125I])c([nH]2)C#N)CNC(C)C | 8982677 | |||
| 73754996 | 7687 | 0 | None | -2 | 5 | Human | 10.9 | pKd | = | 10.9 | Binding | Guide to Pharmacology | 397 | 6 | 3 | 4 | 2.4 | OC(COc1cccc2c1c([125I])c([nH]2)C#N)CNC(C)C | 10079020 | |||
| 73754996 | 7687 | 0 | None | -2 | 5 | Human | 10.9 | pKd | = | 10.9 | Binding | Guide to Pharmacology | 397 | 6 | 3 | 4 | 2.4 | OC(COc1cccc2c1c([125I])c([nH]2)C#N)CNC(C)C | 10531390 | |||
| 73754996 | 7687 | 0 | None | -2 | 5 | Human | 10.9 | pKd | = | 10.9 | Binding | Guide to Pharmacology | 397 | 6 | 3 | 4 | 2.4 | OC(COc1cccc2c1c([125I])c([nH]2)C#N)CNC(C)C | 15037517 | |||
| 73754996 | 7687 | 0 | None | -2 | 5 | Human | 10.9 | pKd | = | 10.9 | Binding | Guide to Pharmacology | 397 | 6 | 3 | 4 | 2.4 | OC(COc1cccc2c1c([125I])c([nH]2)C#N)CNC(C)C | 8982677 | |||
| 12579 | 5620 | 0 | None | None | None | Rat | 8.1 | pKd | = | 8.1 | Binding | Guide to Pharmacology | 472 | 14 | 3 | 8 | 1.8 | NC(=O)C1=CC=C(OCCNC[C@H](O)COC2=CC3=C(O[C@H](COCC4CC4)CO3)C=C2)C=C1 | 28400472 | |||
| 60151587 | 5620 | 0 | None | None | None | Rat | 8.1 | pKd | = | 8.1 | Binding | Guide to Pharmacology | 472 | 14 | 3 | 8 | 1.8 | NC(=O)C1=CC=C(OCCNC[C@H](O)COC2=CC3=C(O[C@H](COCC4CC4)CO3)C=C2)C=C1 | 28400472 | |||
| 12580 | 5622 | 0 | None | None | None | Rat | 8.4 | pKd | = | 8.4 | Binding | Guide to Pharmacology | 484 | 13 | 3 | 8 | 1.9 | O[C@@H](CNCCOC1=CC=C2C(=O)NCC2=C1)COC3=CC4=C(O[C@H](COCC5CC5)CO4)C=C3 | 28400472 | |||
| 60150890 | 5622 | 0 | None | None | None | Rat | 8.4 | pKd | = | 8.4 | Binding | Guide to Pharmacology | 484 | 13 | 3 | 8 | 1.9 | O[C@@H](CNCCOC1=CC=C2C(=O)NCC2=C1)COC3=CC4=C(O[C@H](COCC5CC5)CO4)C=C3 | 28400472 | |||
| 531 | 7893 | 1 | None | None | None | Human | 9.3 | pKd | = | 9.3 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | O[C@H](COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 15655528 | |||
| 6603756 | 7893 | 1 | None | None | None | Human | 9.3 | pKd | = | 9.3 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | O[C@H](COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 15655528 | |||
| CHEMBL36060 | 7893 | 1 | None | None | None | Human | 9.3 | pKd | = | 9.3 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | O[C@H](COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 15655528 | |||
| 487 | 1642 | 55 | None | None | None | Human | 10.0 | pKd | = | 10.0 | Binding | Guide to Pharmacology | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | 20590599 | |||
| 487 | 1642 | 55 | None | None | None | Human | 10.0 | pKd | = | 10.0 | Binding | Guide to Pharmacology | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | 26385885 | |||
| 569 | 1642 | 55 | None | None | None | Human | 10.0 | pKd | = | 10.0 | Binding | Guide to Pharmacology | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | 20590599 | |||
| 569 | 1642 | 55 | None | None | None | Human | 10.0 | pKd | = | 10.0 | Binding | Guide to Pharmacology | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | 26385885 | |||
| 71739 | 1642 | 55 | None | None | None | Human | 10.0 | pKd | = | 10.0 | Binding | Guide to Pharmacology | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | 20590599 | |||
| 71739 | 1642 | 55 | None | None | None | Human | 10.0 | pKd | = | 10.0 | Binding | Guide to Pharmacology | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | 26385885 | |||
| CHEMBL324665 | 1642 | 55 | None | None | None | Human | 10.0 | pKd | = | 10.0 | Binding | Guide to Pharmacology | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | 20590599 | |||
| CHEMBL324665 | 1642 | 55 | None | None | None | Human | 10.0 | pKd | = | 10.0 | Binding | Guide to Pharmacology | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | 26385885 | |||
| 487 | 1642 | 55 | None | -4 | 5 | Mouse | 8.0 | pKi | = | 8 | Binding | Drug Central | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | None | |||
| 569 | 1642 | 55 | None | -4 | 5 | Mouse | 8.0 | pKi | = | 8 | Binding | Drug Central | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | None | |||
| 71739 | 1642 | 55 | None | -4 | 5 | Mouse | 8.0 | pKi | = | 8 | Binding | Drug Central | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | None | |||
| CHEMBL324665 | 1642 | 55 | None | -4 | 5 | Mouse | 8.0 | pKi | = | 8 | Binding | Drug Central | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | None | |||
| 135398737 | 1973 | 61 | None | -144 | 61 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 2818 | 1973 | 61 | None | -144 | 61 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 38 | 1973 | 61 | None | -144 | 61 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 722 | 1973 | 61 | None | -144 | 61 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| CHEMBL253391 | 1973 | 61 | None | -144 | 61 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| CHEMBL42 | 1973 | 61 | None | -144 | 61 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| DB00363 | 1973 | 61 | None | -144 | 61 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 2389 | 6775 | 83 | None | -870 | 45 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| 5073 | 6775 | 83 | None | -870 | 45 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| 96 | 6775 | 83 | None | -870 | 45 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| CHEMBL85 | 6775 | 83 | None | -870 | 45 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| DB00734 | 6775 | 83 | None | -870 | 45 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| 3054 | 315981 | 60 | None | -50 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | None | |||
| 448537 | 315981 | 60 | None | -50 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | None | |||
| 875 | 315981 | 60 | None | -50 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | None | |||
| CHEMBL411 | 315981 | 60 | None | -50 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | None | |||
| DB00255 | 315981 | 60 | None | -50 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | None | |||
| 2146 | 6309 | 49 | None | -3 | 10 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | None | |||
| 485 | 6309 | 49 | None | -3 | 10 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | None | |||
| 6041 | 6309 | 49 | None | -3 | 10 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | None | |||
| CHEMBL1215 | 6309 | 49 | None | -3 | 10 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | None | |||
| DB00388 | 6309 | 49 | None | -3 | 10 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | None | |||
| 681 | 3019 | 53 | None | -44 | 20 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | None | |||
| 940 | 3019 | 53 | None | -44 | 20 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | None | |||
| 947 | 3019 | 53 | None | -44 | 20 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | None | |||
| CHEMBL59 | 3019 | 53 | None | -44 | 20 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | None | |||
| DB00988 | 3019 | 53 | None | -44 | 20 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | None | |||
| 2247 | 1042 | 63 | None | -95 | 37 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | |||
| 249 | 1042 | 63 | None | -95 | 37 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | |||
| 2603 | 1042 | 63 | None | -95 | 37 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | |||
| CHEMBL296419 | 1042 | 63 | None | -95 | 37 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | |||
| DB00637 | 1042 | 63 | None | -95 | 37 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | |||
| 1016 | 8173 | 46 | None | -43 | 35 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | |||
| 2561 | 8173 | 46 | None | -43 | 35 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | |||
| 2733526 | 8173 | 46 | None | -43 | 35 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | |||
| CHEMBL83 | 8173 | 46 | None | -43 | 35 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | |||
| DB00675 | 8173 | 46 | None | -43 | 35 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | |||
| 681 | 3019 | 53 | None | 1 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | None | |||
| 940 | 3019 | 53 | None | 1 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | None | |||
| 947 | 3019 | 53 | None | 1 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | None | |||
| CHEMBL59 | 3019 | 53 | None | 1 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | None | |||
| DB00988 | 3019 | 53 | None | 1 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | None | |||
| 2068 | 370177 | 47 | None | -8 | 8 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | None | |||
| 43815 | 370177 | 47 | None | -8 | 8 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | None | |||
| CHEMBL490 | 370177 | 47 | None | -8 | 8 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | None | |||
| DB00715 | 370177 | 47 | None | -8 | 8 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | None | |||
| 3198 | 461850 | 54 | None | -38 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | |||
| 983 | 461850 | 54 | None | -38 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | |||
| CHEMBL808 | 461850 | 54 | None | -38 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | |||
| DB01127 | 461850 | 54 | None | -38 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | |||
| 1800 | 473856 | 65 | None | -38 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | |||
| 4189 | 473856 | 65 | None | -38 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | |||
| CHEMBL91 | 473856 | 65 | None | -38 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | |||
| DB01110 | 473856 | 65 | None | -38 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | |||
| 2812 | 19119 | 69 | None | -38 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | None | |||
| 719 | 19119 | 69 | None | -38 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | None | |||
| CHEMBL104 | 19119 | 69 | None | -38 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | None | |||
| DB00257 | 19119 | 69 | None | -38 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | None | |||
| 1209 | 3407 | 55 | None | 1 | 19 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | |||
| 203 | 3407 | 55 | None | 1 | 19 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | |||
| 3386 | 3407 | 55 | None | 1 | 19 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | |||
| CHEMBL41 | 3407 | 55 | None | 1 | 19 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | |||
| DB00472 | 3407 | 55 | None | 1 | 19 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | |||
| 103 | 8980 | 49 | None | -2 | 31 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 2875 | 8980 | 49 | None | -2 | 31 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 5736 | 8980 | 49 | None | -2 | 31 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| CHEMBL285802 | 8980 | 49 | None | -2 | 31 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| DB09225 | 8980 | 49 | None | -2 | 31 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 1028 | 599 | 43 | None | -23 | 18 | Guinea pig | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 479 | 599 | 43 | None | -23 | 18 | Guinea pig | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 5816 | 599 | 43 | None | -23 | 18 | Guinea pig | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| CHEMBL679 | 599 | 43 | None | -23 | 18 | Guinea pig | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| DB00668 | 599 | 43 | None | -23 | 18 | Guinea pig | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 2865 | 8961 | 54 | None | -10 | 33 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
| 59 | 8961 | 54 | None | -10 | 33 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
| 60854 | 8961 | 54 | None | -10 | 33 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
| CHEMBL708 | 8961 | 54 | None | -10 | 33 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
| DB00246 | 8961 | 54 | None | -10 | 33 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
| 105 | 7039 | 60 | None | 64 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | |||
| 2083 | 7039 | 60 | None | 64 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | |||
| 558 | 7039 | 60 | None | 64 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | |||
| CHEMBL714 | 7039 | 60 | None | 64 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | |||
| DB01001 | 7039 | 60 | None | 64 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | |||
| 1043 | 3255 | 6 | None | -257 | 33 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | None | |||
| 149 | 3255 | 6 | None | -257 | 33 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | None | |||
| 8223 | 3255 | 6 | None | -257 | 33 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | None | |||
| CHEMBL442 | 3255 | 6 | None | -257 | 33 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | None | |||
| DB00696 | 3255 | 6 | None | -257 | 33 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | None | |||
| 5311064 | 2816 | 32 | None | None | None | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 317 | 8 | 3 | 5 | 2.3 | COc1cc(CCNC[C@@H](c2ccc(cc2)O)O)ccc1OC | None | |||
| 534 | 2816 | 32 | None | None | None | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 317 | 8 | 3 | 5 | 2.3 | COc1cc(CCNC[C@@H](c2ccc(cc2)O)O)ccc1OC | None | |||
| 806 | 2816 | 32 | None | None | None | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 317 | 8 | 3 | 5 | 2.3 | COc1cc(CCNC[C@@H](c2ccc(cc2)O)O)ccc1OC | None | |||
| CHEMBL493682 | 2816 | 32 | None | None | None | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 317 | 8 | 3 | 5 | 2.3 | COc1cc(CCNC[C@@H](c2ccc(cc2)O)O)ccc1OC | None | |||
| 2810 | 139881 | 42 | None | -1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 213 | 4 | 2 | 2 | 2.4 | CC(C)NCC(O)c1ccccc1Cl | None | |||
| 714 | 139881 | 42 | None | -1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 213 | 4 | 2 | 2 | 2.4 | CC(C)NCC(O)c1ccccc1Cl | None | |||
| CHEMBL1902627 | 139881 | 42 | None | -1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 213 | 4 | 2 | 2 | 2.4 | CC(C)NCC(O)c1ccccc1Cl | None | |||
| 31101 | 1504 | 27 | None | -32 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | |||
| 35 | 1504 | 27 | None | -32 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | |||
| 403 | 1504 | 27 | None | -32 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | |||
| CHEMBL493 | 1504 | 27 | None | -32 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | |||
| DB01200 | 1504 | 27 | None | -32 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | |||
| 1028 | 599 | 43 | None | -66 | 18 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 479 | 599 | 43 | None | -66 | 18 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 5816 | 599 | 43 | None | -66 | 18 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| CHEMBL679 | 599 | 43 | None | -66 | 18 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| DB00668 | 599 | 43 | None | -66 | 18 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 1960 | 5823 | 49 | None | -33 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 439260 | 5823 | 49 | None | -33 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 505 | 5823 | 49 | None | -33 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 6921840 | 5823 | 49 | None | -33 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| CHEMBL1437 | 5823 | 49 | None | -33 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| DB00368 | 5823 | 49 | None | -33 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 66265 | 194428 | 9 | None | -1 | 19 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCN[C@@H](C)Cc1cccc(C(F)(F)F)c1 | None | |||
| 832 | 194428 | 9 | None | -1 | 19 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCN[C@@H](C)Cc1cccc(C(F)(F)F)c1 | None | |||
| CHEMBL248702 | 194428 | 9 | None | -1 | 19 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCN[C@@H](C)Cc1cccc(C(F)(F)F)c1 | None | |||
| DB01191 | 194428 | 9 | None | -1 | 19 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCN[C@@H](C)Cc1cccc(C(F)(F)F)c1 | None | |||
| 2419 | 7043 | 56 | None | -204 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | |||
| 5152 | 7043 | 56 | None | -204 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | |||
| 559 | 7043 | 56 | None | -204 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | |||
| CHEMBL1263 | 7043 | 56 | None | -204 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | |||
| DB00938 | 7043 | 56 | None | -204 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | |||
| 2464 | 7398 | 37 | None | -2 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | None | |||
| 5253 | 7398 | 37 | None | -2 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | None | |||
| 7297 | 7398 | 37 | None | -2 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | None | |||
| CHEMBL471 | 7398 | 37 | None | -2 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | None | |||
| DB00489 | 7398 | 37 | None | -2 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | None | |||
| 1222 | 3419 | 44 | None | -1 | 17 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| 3396 | 3419 | 44 | None | -1 | 17 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| 85 | 3419 | 44 | None | -1 | 17 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| CHEMBL46516 | 3419 | 44 | None | -1 | 17 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| DB04842 | 3419 | 44 | None | -1 | 17 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| 2419 | 7043 | 56 | None | -23 | 15 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | |||
| 5152 | 7043 | 56 | None | -23 | 15 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | |||
| 559 | 7043 | 56 | None | -23 | 15 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | |||
| CHEMBL1263 | 7043 | 56 | None | -23 | 15 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | |||
| DB00938 | 7043 | 56 | None | -23 | 15 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | |||
| 1960 | 5823 | 49 | None | -10 | 26 | Guinea pig | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 439260 | 5823 | 49 | None | -10 | 26 | Guinea pig | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 505 | 5823 | 49 | None | -10 | 26 | Guinea pig | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 6921840 | 5823 | 49 | None | -10 | 26 | Guinea pig | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| CHEMBL1437 | 5823 | 49 | None | -10 | 26 | Guinea pig | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| DB00368 | 5823 | 49 | None | -10 | 26 | Guinea pig | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 1588 | 4738 | 26 | None | -169 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| 28864 | 4738 | 26 | None | -169 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| 43 | 4738 | 26 | None | -169 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| CHEMBL157138 | 4738 | 26 | None | -169 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| DB00589 | 4738 | 26 | None | -169 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| 1239 | 3447 | 41 | None | -12 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | None | |||
| 3410 | 3447 | 41 | None | -12 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | None | |||
| 3465 | 3447 | 41 | None | -12 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | None | |||
| CHEMBL1256786 | 3447 | 41 | None | -12 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | None | |||
| DB00983 | 3447 | 41 | None | -12 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | None | |||
| 2258 | 6434 | 33 | None | None | None | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 225 | 6 | 3 | 4 | 1.1 | O[C@H](COc1ccc(cc1)O)CNC(C)C | None | |||
| 42396 | 6434 | 33 | None | None | None | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 225 | 6 | 3 | 4 | 1.1 | O[C@H](COc1ccc(cc1)O)CNC(C)C | None | |||
| 537 | 6434 | 33 | None | None | None | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 225 | 6 | 3 | 4 | 1.1 | O[C@H](COc1ccc(cc1)O)CNC(C)C | None | |||
| CHEMBL1160714 | 6434 | 33 | None | None | None | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 225 | 6 | 3 | 4 | 1.1 | O[C@H](COc1ccc(cc1)O)CNC(C)C | None | |||
| DB13777 | 6434 | 33 | None | None | None | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 225 | 6 | 3 | 4 | 1.1 | O[C@H](COc1ccc(cc1)O)CNC(C)C | None | |||
| 2557 | 97937 | 42 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 363 | 7 | 4 | 4 | 3.3 | CC(C)(C)NCC(O)COc1ccc(NC(=O)NC2CCCCC2)cc1 | None | |||
| 68770 | 97937 | 42 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 363 | 7 | 4 | 4 | 3.3 | CC(C)(C)NCC(O)COc1ccc(NC(=O)NC2CCCCC2)cc1 | None | |||
| CHEMBL152067 | 97937 | 42 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 363 | 7 | 4 | 4 | 3.3 | CC(C)(C)NCC(O)COc1ccc(NC(=O)NC2CCCCC2)cc1 | None | |||
| DB11770 | 97937 | 42 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 363 | 7 | 4 | 4 | 3.3 | CC(C)(C)NCC(O)COc1ccc(NC(=O)NC2CCCCC2)cc1 | None | |||
| 2388 | 18486 | 20 | None | -1 | 3 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | None | |||
| 443372 | 18486 | 20 | None | -1 | 3 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | None | |||
| CHEMBL1160723 | 18486 | 20 | None | -1 | 3 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | None | |||
| 1499 | 4274 | 42 | None | -5 | 12 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | |||
| 3779 | 4274 | 42 | None | -5 | 12 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | |||
| 536 | 4274 | 42 | None | -5 | 12 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | |||
| CHEMBL434 | 4274 | 42 | None | -5 | 12 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | |||
| DB01064 | 4274 | 42 | None | -5 | 12 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | |||
| 2291 | 6470 | 51 | None | -11 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | None | |||
| 2561 | 6470 | 51 | None | -11 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | None | |||
| 4932 | 6470 | 51 | None | -11 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | None | |||
| CHEMBL631 | 6470 | 51 | None | -11 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | None | |||
| DB01182 | 6470 | 51 | None | -11 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | None | |||
| 3486 | 6418 | 47 | None | 5 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | None | |||
| 4883 | 6418 | 47 | None | 5 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | None | |||
| 555 | 6418 | 47 | None | 5 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | None | |||
| CHEMBL6995 | 6418 | 47 | None | 5 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | None | |||
| DB01297 | 6418 | 47 | None | 5 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | None | |||
| 175540 | 232138 | 36 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 8 | 3 | 4 | 0.5 | CC(C)NC[C@H](O)COc1ccc(CC(N)=O)cc1 | None | |||
| 4702 | 232138 | 36 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 8 | 3 | 4 | 0.5 | CC(C)NC[C@H](O)COc1ccc(CC(N)=O)cc1 | None | |||
| CHEMBL343633 | 232138 | 36 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 8 | 3 | 4 | 0.5 | CC(C)NC[C@H](O)COc1ccc(CC(N)=O)cc1 | None | |||
| DB13443 | 232138 | 36 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 8 | 3 | 4 | 0.5 | CC(C)NC[C@H](O)COc1ccc(CC(N)=O)cc1 | None | |||
| 154 | 4804 | 8 | None | -16 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| 1621 | 4804 | 8 | None | -16 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| 17 | 4804 | 8 | None | -16 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| 5761 | 4804 | 8 | None | -16 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| 638252 | 4804 | 8 | None | -16 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| CHEMBL263881 | 4804 | 8 | None | -16 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| DB04829 | 4804 | 8 | None | -16 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| 242 | 971 | 74 | None | -3 | 38 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| 34 | 971 | 74 | None | -3 | 38 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| 60795 | 971 | 74 | None | -3 | 38 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| CHEMBL1112 | 971 | 74 | None | -3 | 38 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| DB01238 | 971 | 74 | None | -3 | 38 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| 1054 | 3263 | 41 | None | None | None | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | None | |||
| 59768 | 3263 | 41 | None | None | None | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | None | |||
| 7178 | 3263 | 41 | None | None | None | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | None | |||
| CHEMBL768 | 3263 | 41 | None | None | None | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | None | |||
| DB00187 | 3263 | 41 | None | None | None | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | None | |||
| 1865 | 384925 | 34 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 5 | 4 | 5 | 0.6 | CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2 | None | |||
| 4411 | 384925 | 34 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 5 | 4 | 5 | 0.6 | CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2 | None | |||
| CHEMBL521606 | 384925 | 34 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 5 | 4 | 5 | 0.6 | CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2 | None | |||
| DB01203 | 384925 | 34 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 5 | 4 | 5 | 0.6 | CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2 | None | |||
| 1960 | 5823 | 49 | None | -144 | 26 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 439260 | 5823 | 49 | None | -144 | 26 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 505 | 5823 | 49 | None | -144 | 26 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 6921840 | 5823 | 49 | None | -144 | 26 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| CHEMBL1437 | 5823 | 49 | None | -144 | 26 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| DB00368 | 5823 | 49 | None | -144 | 26 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 4183 | 4137 | 48 | None | -1 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | None | |||
| 6918554 | 4137 | 48 | None | -1 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | None | |||
| 7455 | 4137 | 48 | None | -1 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | None | |||
| CHEMBL1095777 | 4137 | 48 | None | -1 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | None | |||
| DB05039 | 4137 | 48 | None | -1 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | None | |||
| 12582 | 1957 | 29 | None | -3 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | None | |||
| 2783 | 1957 | 29 | None | -3 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | None | |||
| 673 | 1957 | 29 | None | -3 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | None | |||
| CHEMBL49080 | 1957 | 29 | None | -3 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | None | |||
| DB01407 | 1957 | 29 | None | -3 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | None | |||
| 11978813 | 1488 | 62 | None | -69 | 28 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | None | |||
| 5014 | 1488 | 62 | None | -69 | 28 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | None | |||
| 7672 | 1488 | 62 | None | -69 | 28 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | None | |||
| CHEMBL2105760 | 1488 | 62 | None | -69 | 28 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | None | |||
| DB09128 | 1488 | 62 | None | -69 | 28 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | None | |||
| 1978 | 515 | 40 | None | -15 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 336 | 10 | 3 | 5 | 3.0 | CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O | None | |||
| 40 | 515 | 40 | None | -15 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 336 | 10 | 3 | 5 | 3.0 | CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O | None | |||
| 7107 | 515 | 40 | None | -15 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 336 | 10 | 3 | 5 | 3.0 | CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O | None | |||
| CHEMBL642 | 515 | 40 | None | -15 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 336 | 10 | 3 | 5 | 3.0 | CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O | None | |||
| DB01193 | 515 | 40 | None | -15 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 336 | 10 | 3 | 5 | 3.0 | CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O | None | |||
| 2249 | 1058 | 67 | None | 1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | |||
| 255 | 1058 | 67 | None | 1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | |||
| 548 | 1058 | 67 | None | 1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | |||
| CHEMBL24 | 1058 | 67 | None | 1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | |||
| DB00335 | 1058 | 67 | None | 1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | |||
| 1786 | 5120 | 49 | None | 1 | 5 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | None | |||
| 4171 | 5120 | 49 | None | 1 | 5 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | None | |||
| 553 | 5120 | 49 | None | 1 | 5 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | None | |||
| CHEMBL13 | 5120 | 49 | None | 1 | 5 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | None | |||
| DB00264 | 5120 | 49 | None | 1 | 5 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | None | |||
| 11504295 | 5953 | 40 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | None | |||
| 4814 | 5953 | 40 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | None | |||
| 7543 | 5953 | 40 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | None | |||
| CHEMBL605846 | 5953 | 40 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | None | |||
| DB09080 | 5953 | 40 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | None | |||
| 4806 | 8693 | 61 | None | -2 | 13 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 298 | 3 | 1 | 3 | 3.9 | Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1 | None | |||
| 71768094 | 8693 | 61 | None | -2 | 13 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 298 | 3 | 1 | 3 | 3.9 | Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1 | None | |||
| 7351 | 8693 | 61 | None | -2 | 13 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 298 | 3 | 1 | 3 | 3.9 | Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1 | None | |||
| 9966051 | 8693 | 61 | None | -2 | 13 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 298 | 3 | 1 | 3 | 3.9 | Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1 | None | |||
| CHEMBL2104993 | 8693 | 61 | None | -2 | 13 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 298 | 3 | 1 | 3 | 3.9 | Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1 | None | |||
| DB09068 | 8693 | 61 | None | -2 | 13 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 298 | 3 | 1 | 3 | 3.9 | Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1 | None | |||
| 1786 | 5120 | 49 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | None | |||
| 4171 | 5120 | 49 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | None | |||
| 553 | 5120 | 49 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | None | |||
| CHEMBL13 | 5120 | 49 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | None | |||
| DB00264 | 5120 | 49 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | None | |||
| 2405 | 1368 | 47 | None | -2 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | None | |||
| 380 | 1368 | 47 | None | -2 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | None | |||
| 7129 | 1368 | 47 | None | -2 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | None | |||
| CHEMBL645 | 1368 | 47 | None | -2 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | None | |||
| DB00612 | 1368 | 47 | None | -2 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | None | |||
| 146294 | 1913 | 0 | None | 6 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 323 | 12 | 2 | 5 | 2.2 | OC(COc1ccc(cc1)OCCOCC1CC1)CNC(C)C | None | |||
| 552 | 1913 | 0 | None | 6 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 323 | 12 | 2 | 5 | 2.2 | OC(COc1ccc(cc1)OCCOCC1CC1)CNC(C)C | None | |||
| 637 | 1913 | 0 | None | 6 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 323 | 12 | 2 | 5 | 2.2 | OC(COc1ccc(cc1)OCCOCC1CC1)CNC(C)C | None | |||
| CHEMBL2110772 | 1913 | 0 | None | 6 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 323 | 12 | 2 | 5 | 2.2 | OC(COc1ccc(cc1)OCCOCC1CC1)CNC(C)C | None | |||
| 2663 | 199008 | 20 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 379 | 9 | 3 | 5 | 2.9 | CCN(CC)C(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(C(C)=O)c1 | None | |||
| 569 | 199008 | 20 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 379 | 9 | 3 | 5 | 2.9 | CCN(CC)C(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(C(C)=O)c1 | None | |||
| CHEMBL27810 | 199008 | 20 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 379 | 9 | 3 | 5 | 2.9 | CCN(CC)C(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(C(C)=O)c1 | None | |||
| DB04846 | 199008 | 20 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 379 | 9 | 3 | 5 | 2.9 | CCN(CC)C(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(C(C)=O)c1 | None | |||
| 2027 | 389514 | 22 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 265 | 9 | 2 | 4 | 2.0 | C=CCOc1ccccc1OCC(O)CNC(C)C | None | |||
| 4631 | 389514 | 22 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 265 | 9 | 2 | 4 | 2.0 | C=CCOc1ccccc1OCC(O)CNC(C)C | None | |||
| CHEMBL546 | 389514 | 22 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 265 | 9 | 2 | 4 | 2.0 | C=CCOc1ccccc1OCC(O)CNC(C)C | None | |||
| DB01580 | 389514 | 22 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 265 | 9 | 2 | 4 | 2.0 | C=CCOc1ccccc1OCC(O)CNC(C)C | None | |||
| 424 | 496890 | 0 | None | 1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 261 | 4 | 2 | 3 | 3.4 | CCC1=CC=CC2=C1OC(=C2)C(O)CNC(C)(C)C | None | |||
| 71733 | 496890 | 0 | None | 1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 261 | 4 | 2 | 3 | 3.4 | CCC1=CC=CC2=C1OC(=C2)C(O)CNC(C)(C)C | None | |||
| DB06726 | 496890 | 0 | None | 1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 261 | 4 | 2 | 3 | 3.4 | CCC1=CC=CC2=C1OC(=C2)C(O)CNC(C)(C)C | None | |||
| 1531 | 4617 | 40 | None | -1 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | None | |||
| 3869 | 4617 | 40 | None | -1 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | None | |||
| 7207 | 4617 | 40 | None | -1 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | None | |||
| CHEMBL429 | 4617 | 40 | None | -1 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | None | |||
| DB00598 | 4617 | 40 | None | -1 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | None | |||
| 2405 | 1368 | 47 | None | -1 | 4 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | None | |||
| 380 | 1368 | 47 | None | -1 | 4 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | None | |||
| 7129 | 1368 | 47 | None | -1 | 4 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | None | |||
| CHEMBL645 | 1368 | 47 | None | -1 | 4 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | None | |||
| DB00612 | 1368 | 47 | None | -1 | 4 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | None | |||
| 39468 | 37932 | 24 | None | -2 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NC[C@H](O)COc1cccc2c1CCCC2=O | None | |||
| 431 | 37932 | 24 | None | -2 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NC[C@H](O)COc1cccc2c1CCCC2=O | None | |||
| CHEMBL1201237 | 37932 | 24 | None | -2 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NC[C@H](O)COc1cccc2c1CCCC2=O | None | |||
| DB01210 | 37932 | 24 | None | -2 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NC[C@H](O)COc1cccc2c1CCCC2=O | None | |||
| 1887 | 5630 | 45 | None | 3 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | None | |||
| 189562 | 5630 | 45 | None | 3 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | None | |||
| 71301 | 5630 | 45 | None | 3 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | None | |||
| 7246 | 5630 | 45 | None | 3 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | None | |||
| 9844194 | 5630 | 45 | None | 3 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | None | |||
| CHEMBL2365658 | 5630 | 45 | None | 3 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | None | |||
| CHEMBL3526436 | 5630 | 45 | None | 3 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | None | |||
| CHEMBL434394 | 5630 | 45 | None | 3 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | None | |||
| DB04861 | 5630 | 45 | None | 3 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | None | |||
| 2303 | 6476 | 48 | None | -27 | 19 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
| 4946 | 6476 | 48 | None | -27 | 19 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
| 564 | 6476 | 48 | None | -27 | 19 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
| 63 | 6476 | 48 | None | -27 | 19 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
| 91536 | 6476 | 48 | None | -27 | 19 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
| CHEMBL27 | 6476 | 48 | None | -27 | 19 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
| CHEMBL452861 | 6476 | 48 | None | -27 | 19 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
| DB00571 | 6476 | 48 | None | -27 | 19 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
| 2303 | 6476 | 48 | None | -4 | 19 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
| 4946 | 6476 | 48 | None | -4 | 19 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
| 564 | 6476 | 48 | None | -4 | 19 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
| 63 | 6476 | 48 | None | -4 | 19 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
| 91536 | 6476 | 48 | None | -4 | 19 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
| CHEMBL27 | 6476 | 48 | None | -4 | 19 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
| CHEMBL452861 | 6476 | 48 | None | -4 | 19 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
| DB00571 | 6476 | 48 | None | -4 | 19 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
| 2303 | 6476 | 48 | None | -3 | 19 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
| 4946 | 6476 | 48 | None | -3 | 19 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
| 564 | 6476 | 48 | None | -3 | 19 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
| 63 | 6476 | 48 | None | -3 | 19 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
| 91536 | 6476 | 48 | None | -3 | 19 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
| CHEMBL27 | 6476 | 48 | None | -3 | 19 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
| CHEMBL452861 | 6476 | 48 | None | -3 | 19 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
| DB00571 | 6476 | 48 | None | -3 | 19 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
| 2078 | 43076 | 23 | None | -1 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 291 | 6 | 2 | 3 | 3.5 | CC(C)(C)NC[C@H](O)COc1ccccc1C1CCCC1 | None | |||
| 37464 | 43076 | 23 | None | -1 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 291 | 6 | 2 | 3 | 3.5 | CC(C)(C)NC[C@H](O)COc1ccccc1C1CCCC1 | None | |||
| CHEMBL1290 | 43076 | 23 | None | -1 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 291 | 6 | 2 | 3 | 3.5 | CC(C)(C)NC[C@H](O)COc1ccccc1C1CCCC1 | None | |||
| DB01359 | 43076 | 23 | None | -1 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 291 | 6 | 2 | 3 | 3.5 | CC(C)(C)NC[C@H](O)COc1ccccc1C1CCCC1 | None | |||
| 2475 | 1528 | 0 | None | -2 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | None | |||
| 433 | 1528 | 0 | None | -2 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | None | |||
| 550 | 1528 | 0 | None | -2 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | None | |||
| CHEMBL305380 | 1528 | 0 | None | -2 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | None | |||
| DB08808 | 1528 | 0 | None | -2 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | None | |||
| 33624 | 8322 | 24 | None | -4 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | None | |||
| 4061 | 8322 | 24 | None | -4 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | None | |||
| 565 | 8322 | 24 | None | -4 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | None | |||
| CHEMBL499 | 8322 | 24 | None | -4 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | None | |||
| DB00373 | 8322 | 24 | None | -4 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | None | |||
| 2585 | 1662 | 62 | None | -6 | 22 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | |||
| 522 | 1662 | 62 | None | -6 | 22 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | |||
| 551 | 1662 | 62 | None | -6 | 22 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | |||
| CHEMBL723 | 1662 | 62 | None | -6 | 22 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | |||
| DB01136 | 1662 | 62 | None | -6 | 22 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | |||
| 4752 | 37934 | 24 | None | -1 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 307 | 11 | 2 | 4 | 2.4 | CC(C)NC[C@H](O)COc1ccc(CCOCC2CC2)cc1 | None | |||
| 60657 | 37934 | 24 | None | -1 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 307 | 11 | 2 | 4 | 2.4 | CC(C)NC[C@H](O)COc1ccc(CCOCC2CC2)cc1 | None | |||
| CHEMBL1201274 | 37934 | 24 | None | -1 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 307 | 11 | 2 | 4 | 2.4 | CC(C)NC[C@H](O)COc1ccc(CCOCC2CC2)cc1 | None | |||
| DB09351 | 37934 | 24 | None | -1 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 307 | 11 | 2 | 4 | 2.4 | CC(C)NC[C@H](O)COc1ccc(CCOCC2CC2)cc1 | None | |||
| 2583 | 470697 | 25 | None | 2 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 292 | 5 | 3 | 4 | 1.7 | CC(C)(C)NCC(O)COc1cccc2c1CCC(=O)N2 | None | |||
| 520 | 470697 | 25 | None | 2 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 292 | 5 | 3 | 4 | 1.7 | CC(C)(C)NCC(O)COc1cccc2c1CCC(=O)N2 | None | |||
| CHEMBL839 | 470697 | 25 | None | 2 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 292 | 5 | 3 | 4 | 1.7 | CC(C)(C)NCC(O)COc1cccc2c1CCC(=O)N2 | None | |||
| DB00521 | 470697 | 25 | None | 2 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 292 | 5 | 3 | 4 | 1.7 | CC(C)(C)NCC(O)COc1cccc2c1CCC(=O)N2 | None | |||
| 2176 | 6361 | 47 | None | -1 | 14 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | |||
| 4828 | 6361 | 47 | None | -1 | 14 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | |||
| 91 | 6361 | 47 | None | -1 | 14 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | |||
| CHEMBL500 | 6361 | 47 | None | -1 | 14 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | |||
| DB00960 | 6361 | 47 | None | -1 | 14 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | |||
| 2585 | 1662 | 62 | None | -1 | 22 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | |||
| 522 | 1662 | 62 | None | -1 | 22 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | |||
| 551 | 1662 | 62 | None | -1 | 22 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | |||
| CHEMBL723 | 1662 | 62 | None | -1 | 22 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | |||
| DB01136 | 1662 | 62 | None | -1 | 22 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | |||
| 389 | 239896 | 36 | None | -2 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 380 | 7 | 2 | 4 | 4.5 | Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1 | None | |||
| 44112 | 239896 | 36 | None | -2 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 380 | 7 | 2 | 4 | 4.5 | Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1 | None | |||
| CHEMBL357995 | 239896 | 36 | None | -2 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 380 | 7 | 2 | 4 | 4.5 | Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1 | None | |||
| DB08807 | 239896 | 36 | None | -2 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 380 | 7 | 2 | 4 | 4.5 | Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1 | None | |||
| 1887 | 5630 | 45 | None | 3 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 20590599 | |||
| 189562 | 5630 | 45 | None | 3 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 20590599 | |||
| 71301 | 5630 | 45 | None | 3 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 20590599 | |||
| 7246 | 5630 | 45 | None | 3 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 20590599 | |||
| 9844194 | 5630 | 45 | None | 3 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 20590599 | |||
| CHEMBL2365658 | 5630 | 45 | None | 3 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 20590599 | |||
| CHEMBL3526436 | 5630 | 45 | None | 3 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 20590599 | |||
| CHEMBL434394 | 5630 | 45 | None | 3 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 20590599 | |||
| DB04861 | 5630 | 45 | None | 3 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 20590599 | |||
| 2598 | 8237 | 41 | None | -1000 | 2 | Human | 3.9 | pKi | = | 3.9 | Binding | Guide to Pharmacology | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | 20590599 | |||
| 5403 | 8237 | 41 | None | -1000 | 2 | Human | 3.9 | pKi | = | 3.9 | Binding | Guide to Pharmacology | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | 20590599 | |||
| 560 | 8237 | 41 | None | -1000 | 2 | Human | 3.9 | pKi | = | 3.9 | Binding | Guide to Pharmacology | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | 20590599 | |||
| CHEMBL1760 | 8237 | 41 | None | -1000 | 2 | Human | 3.9 | pKi | = | 3.9 | Binding | Guide to Pharmacology | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | 20590599 | |||
| DB00871 | 8237 | 41 | None | -1000 | 2 | Human | 3.9 | pKi | = | 3.9 | Binding | Guide to Pharmacology | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | 20590599 | |||
| 123600 | 4712 | 0 | None | -23 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | Guide to Pharmacology | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 20590599 | |||
| 1575 | 4712 | 0 | None | -23 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | Guide to Pharmacology | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 20590599 | |||
| 9816 | 4712 | 0 | None | -23 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | Guide to Pharmacology | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 20590599 | |||
| CHEMBL1002 | 4712 | 0 | None | -23 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | Guide to Pharmacology | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 20590599 | |||
| DB13139 | 4712 | 0 | None | -23 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | Guide to Pharmacology | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 20590599 | |||
| 1155 | 3351 | 39 | None | -38 | 3 | Human | 5.0 | pKi | = | 5 | Binding | Guide to Pharmacology | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 20590599 | |||
| 3343 | 3351 | 39 | None | -38 | 3 | Human | 5.0 | pKi | = | 5 | Binding | Guide to Pharmacology | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 20590599 | |||
| 557 | 3351 | 39 | None | -38 | 3 | Human | 5.0 | pKi | = | 5 | Binding | Guide to Pharmacology | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 20590599 | |||
| CHEMBL32800 | 3351 | 39 | None | -38 | 3 | Human | 5.0 | pKi | = | 5 | Binding | Guide to Pharmacology | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 20590599 | |||
| DB01288 | 3351 | 39 | None | -38 | 3 | Human | 5.0 | pKi | = | 5 | Binding | Guide to Pharmacology | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 20590599 | |||
| 567 | 1496 | 16 | None | -13 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 20590599 | |||
| 9841972 | 1496 | 16 | None | -13 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 20590599 | |||
| CHEMBL284782 | 1496 | 16 | None | -13 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 20590599 | |||
| 36811 | 2998 | 34 | None | -109 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 10531390 | |||
| 36811 | 2998 | 34 | None | -109 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 20590599 | |||
| 535 | 2998 | 34 | None | -109 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 10531390 | |||
| 535 | 2998 | 34 | None | -109 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 20590599 | |||
| 937 | 2998 | 34 | None | -109 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 10531390 | |||
| 937 | 2998 | 34 | None | -109 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 20590599 | |||
| CHEMBL926 | 2998 | 34 | None | -109 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 10531390 | |||
| CHEMBL926 | 2998 | 34 | None | -109 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 20590599 | |||
| DB00841 | 2998 | 34 | None | -109 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 10531390 | |||
| DB00841 | 2998 | 34 | None | -109 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 20590599 | |||
| 1028 | 599 | 43 | None | -21 | 18 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 14730417 | |||
| 1028 | 599 | 43 | None | -21 | 18 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 20590599 | |||
| 1028 | 599 | 43 | None | -21 | 18 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 2849109 | |||
| 479 | 599 | 43 | None | -21 | 18 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 14730417 | |||
| 479 | 599 | 43 | None | -21 | 18 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 20590599 | |||
| 479 | 599 | 43 | None | -21 | 18 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 2849109 | |||
| 5816 | 599 | 43 | None | -21 | 18 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 14730417 | |||
| 5816 | 599 | 43 | None | -21 | 18 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 20590599 | |||
| 5816 | 599 | 43 | None | -21 | 18 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 2849109 | |||
| CHEMBL679 | 599 | 43 | None | -21 | 18 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 14730417 | |||
| CHEMBL679 | 599 | 43 | None | -21 | 18 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 20590599 | |||
| CHEMBL679 | 599 | 43 | None | -21 | 18 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 2849109 | |||
| DB00668 | 599 | 43 | None | -21 | 18 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 14730417 | |||
| DB00668 | 599 | 43 | None | -21 | 18 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 20590599 | |||
| DB00668 | 599 | 43 | None | -21 | 18 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 2849109 | |||
| 1960 | 5823 | 49 | None | -33 | 26 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 14730417 | |||
| 1960 | 5823 | 49 | None | -33 | 26 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 20590599 | |||
| 1960 | 5823 | 49 | None | -33 | 26 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 2849109 | |||
| 439260 | 5823 | 49 | None | -33 | 26 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 14730417 | |||
| 439260 | 5823 | 49 | None | -33 | 26 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 20590599 | |||
| 439260 | 5823 | 49 | None | -33 | 26 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 2849109 | |||
| 505 | 5823 | 49 | None | -33 | 26 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 14730417 | |||
| 505 | 5823 | 49 | None | -33 | 26 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 20590599 | |||
| 505 | 5823 | 49 | None | -33 | 26 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 2849109 | |||
| 6921840 | 5823 | 49 | None | -33 | 26 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 14730417 | |||
| 6921840 | 5823 | 49 | None | -33 | 26 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 20590599 | |||
| 6921840 | 5823 | 49 | None | -33 | 26 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 2849109 | |||
| CHEMBL1437 | 5823 | 49 | None | -33 | 26 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 14730417 | |||
| CHEMBL1437 | 5823 | 49 | None | -33 | 26 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 20590599 | |||
| CHEMBL1437 | 5823 | 49 | None | -33 | 26 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 2849109 | |||
| DB00368 | 5823 | 49 | None | -33 | 26 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 14730417 | |||
| DB00368 | 5823 | 49 | None | -33 | 26 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 20590599 | |||
| DB00368 | 5823 | 49 | None | -33 | 26 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 2849109 | |||
| 5311064 | 2816 | 32 | None | None | None | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 317 | 8 | 3 | 5 | 2.3 | COc1cc(CCNC[C@@H](c2ccc(cc2)O)O)ccc1OC | 10531390 | |||
| 5311064 | 2816 | 32 | None | None | None | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 317 | 8 | 3 | 5 | 2.3 | COc1cc(CCNC[C@@H](c2ccc(cc2)O)O)ccc1OC | 20590599 | |||
| 5311064 | 2816 | 32 | None | None | None | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 317 | 8 | 3 | 5 | 2.3 | COc1cc(CCNC[C@@H](c2ccc(cc2)O)O)ccc1OC | 7902433 | |||
| 534 | 2816 | 32 | None | None | None | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 317 | 8 | 3 | 5 | 2.3 | COc1cc(CCNC[C@@H](c2ccc(cc2)O)O)ccc1OC | 10531390 | |||
| 534 | 2816 | 32 | None | None | None | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 317 | 8 | 3 | 5 | 2.3 | COc1cc(CCNC[C@@H](c2ccc(cc2)O)O)ccc1OC | 20590599 | |||
| 534 | 2816 | 32 | None | None | None | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 317 | 8 | 3 | 5 | 2.3 | COc1cc(CCNC[C@@H](c2ccc(cc2)O)O)ccc1OC | 7902433 | |||
| 806 | 2816 | 32 | None | None | None | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 317 | 8 | 3 | 5 | 2.3 | COc1cc(CCNC[C@@H](c2ccc(cc2)O)O)ccc1OC | 10531390 | |||
| 806 | 2816 | 32 | None | None | None | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 317 | 8 | 3 | 5 | 2.3 | COc1cc(CCNC[C@@H](c2ccc(cc2)O)O)ccc1OC | 20590599 | |||
| 806 | 2816 | 32 | None | None | None | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 317 | 8 | 3 | 5 | 2.3 | COc1cc(CCNC[C@@H](c2ccc(cc2)O)O)ccc1OC | 7902433 | |||
| CHEMBL493682 | 2816 | 32 | None | None | None | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 317 | 8 | 3 | 5 | 2.3 | COc1cc(CCNC[C@@H](c2ccc(cc2)O)O)ccc1OC | 10531390 | |||
| CHEMBL493682 | 2816 | 32 | None | None | None | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 317 | 8 | 3 | 5 | 2.3 | COc1cc(CCNC[C@@H](c2ccc(cc2)O)O)ccc1OC | 20590599 | |||
| CHEMBL493682 | 2816 | 32 | None | None | None | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 317 | 8 | 3 | 5 | 2.3 | COc1cc(CCNC[C@@H](c2ccc(cc2)O)O)ccc1OC | 7902433 | |||
| 2464 | 7398 | 37 | None | -2 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 15655528 | |||
| 5253 | 7398 | 37 | None | -2 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 15655528 | |||
| 7297 | 7398 | 37 | None | -2 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 15655528 | |||
| CHEMBL471 | 7398 | 37 | None | -2 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 15655528 | |||
| DB00489 | 7398 | 37 | None | -2 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 15655528 | |||
| 484 | 5824 | 40 | None | 3 | 4 | Human | 6.0 | pKi | = | 6 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | 2849109 | |||
| 951 | 5824 | 40 | None | 3 | 4 | Human | 6.0 | pKi | = | 6 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | 2849109 | |||
| CHEMBL432 | 5824 | 40 | None | 3 | 4 | Human | 6.0 | pKi | = | 6 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | 2849109 | |||
| 4508 | 6384 | 62 | None | -199 | 9 | Human | 6.0 | pKi | = | 6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | 2849109 | |||
| 509 | 6384 | 62 | None | -199 | 9 | Human | 6.0 | pKi | = | 6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | 2849109 | |||
| 838 | 6384 | 62 | None | -199 | 9 | Human | 6.0 | pKi | = | 6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | 2849109 | |||
| CHEMBL1740 | 6384 | 62 | None | -199 | 9 | Human | 6.0 | pKi | = | 6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | 2849109 | |||
| DB11124 | 6384 | 62 | None | -199 | 9 | Human | 6.0 | pKi | = | 6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | 2849109 | |||
| 1239 | 3447 | 41 | None | -12 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 20590599 | |||
| 1239 | 3447 | 41 | None | -12 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 20655218 | |||
| 3410 | 3447 | 41 | None | -12 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 20590599 | |||
| 3410 | 3447 | 41 | None | -12 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 20655218 | |||
| 3465 | 3447 | 41 | None | -12 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 20590599 | |||
| 3465 | 3447 | 41 | None | -12 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 20655218 | |||
| CHEMBL1256786 | 3447 | 41 | None | -12 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 20590599 | |||
| CHEMBL1256786 | 3447 | 41 | None | -12 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 20655218 | |||
| DB00983 | 3447 | 41 | None | -12 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 20590599 | |||
| DB00983 | 3447 | 41 | None | -12 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 20655218 | |||
| 3486 | 6418 | 47 | None | 5 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10079020 | |||
| 3486 | 6418 | 47 | None | 5 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 15655528 | |||
| 4883 | 6418 | 47 | None | 5 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10079020 | |||
| 4883 | 6418 | 47 | None | 5 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 15655528 | |||
| 555 | 6418 | 47 | None | 5 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10079020 | |||
| 555 | 6418 | 47 | None | 5 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 15655528 | |||
| CHEMBL6995 | 6418 | 47 | None | 5 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10079020 | |||
| CHEMBL6995 | 6418 | 47 | None | 5 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 15655528 | |||
| DB01297 | 6418 | 47 | None | 5 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10079020 | |||
| DB01297 | 6418 | 47 | None | 5 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 15655528 | |||
| 1978 | 515 | 40 | None | -15 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 336 | 10 | 3 | 5 | 3.0 | CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O | 15655528 | |||
| 40 | 515 | 40 | None | -15 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 336 | 10 | 3 | 5 | 3.0 | CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O | 15655528 | |||
| 7107 | 515 | 40 | None | -15 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 336 | 10 | 3 | 5 | 3.0 | CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O | 15655528 | |||
| CHEMBL642 | 515 | 40 | None | -15 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 336 | 10 | 3 | 5 | 3.0 | CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O | 15655528 | |||
| DB01193 | 515 | 40 | None | -15 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 336 | 10 | 3 | 5 | 3.0 | CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O | 15655528 | |||
| 1499 | 4274 | 42 | None | -64 | 12 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 20590599 | |||
| 1499 | 4274 | 42 | None | -64 | 12 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 2849109 | |||
| 1499 | 4274 | 42 | None | -64 | 12 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 8982677 | |||
| 3779 | 4274 | 42 | None | -64 | 12 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 20590599 | |||
| 3779 | 4274 | 42 | None | -64 | 12 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 2849109 | |||
| 3779 | 4274 | 42 | None | -64 | 12 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 8982677 | |||
| 536 | 4274 | 42 | None | -64 | 12 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 20590599 | |||
| 536 | 4274 | 42 | None | -64 | 12 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 2849109 | |||
| 536 | 4274 | 42 | None | -64 | 12 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 8982677 | |||
| CHEMBL434 | 4274 | 42 | None | -64 | 12 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 20590599 | |||
| CHEMBL434 | 4274 | 42 | None | -64 | 12 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 2849109 | |||
| CHEMBL434 | 4274 | 42 | None | -64 | 12 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 8982677 | |||
| DB01064 | 4274 | 42 | None | -64 | 12 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 20590599 | |||
| DB01064 | 4274 | 42 | None | -64 | 12 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 2849109 | |||
| DB01064 | 4274 | 42 | None | -64 | 12 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 8982677 | |||
| 12578 | 1929 | 47 | None | -1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 219 | 4 | 3 | 4 | 1.2 | CC(C)NCC(C1=CC(=C(C=C1)N)C#N)O | 20590599 | |||
| 2755 | 1929 | 47 | None | -1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 219 | 4 | 3 | 4 | 1.2 | CC(C)NCC(C1=CC(=C(C=C1)N)C#N)O | 20590599 | |||
| CHEMBL1374751 | 1929 | 47 | None | -1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 219 | 4 | 3 | 4 | 1.2 | CC(C)NCC(C1=CC(=C(C=C1)N)C#N)O | 20590599 | |||
| 2258 | 6434 | 33 | None | None | None | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 225 | 6 | 3 | 4 | 1.1 | O[C@H](COc1ccc(cc1)O)CNC(C)C | 10531390 | |||
| 2258 | 6434 | 33 | None | None | None | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 225 | 6 | 3 | 4 | 1.1 | O[C@H](COc1ccc(cc1)O)CNC(C)C | 2564629 | |||
| 42396 | 6434 | 33 | None | None | None | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 225 | 6 | 3 | 4 | 1.1 | O[C@H](COc1ccc(cc1)O)CNC(C)C | 10531390 | |||
| 42396 | 6434 | 33 | None | None | None | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 225 | 6 | 3 | 4 | 1.1 | O[C@H](COc1ccc(cc1)O)CNC(C)C | 2564629 | |||
| 537 | 6434 | 33 | None | None | None | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 225 | 6 | 3 | 4 | 1.1 | O[C@H](COc1ccc(cc1)O)CNC(C)C | 10531390 | |||
| 537 | 6434 | 33 | None | None | None | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 225 | 6 | 3 | 4 | 1.1 | O[C@H](COc1ccc(cc1)O)CNC(C)C | 2564629 | |||
| CHEMBL1160714 | 6434 | 33 | None | None | None | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 225 | 6 | 3 | 4 | 1.1 | O[C@H](COc1ccc(cc1)O)CNC(C)C | 10531390 | |||
| CHEMBL1160714 | 6434 | 33 | None | None | None | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 225 | 6 | 3 | 4 | 1.1 | O[C@H](COc1ccc(cc1)O)CNC(C)C | 2564629 | |||
| DB13777 | 6434 | 33 | None | None | None | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 225 | 6 | 3 | 4 | 1.1 | O[C@H](COc1ccc(cc1)O)CNC(C)C | 10531390 | |||
| DB13777 | 6434 | 33 | None | None | None | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 225 | 6 | 3 | 4 | 1.1 | O[C@H](COc1ccc(cc1)O)CNC(C)C | 2564629 | |||
| 4183 | 4137 | 48 | None | -1 | 8 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 16434564 | |||
| 4183 | 4137 | 48 | None | -1 | 8 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 22932315 | |||
| 6918554 | 4137 | 48 | None | -1 | 8 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 16434564 | |||
| 6918554 | 4137 | 48 | None | -1 | 8 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 22932315 | |||
| 7455 | 4137 | 48 | None | -1 | 8 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 16434564 | |||
| 7455 | 4137 | 48 | None | -1 | 8 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 22932315 | |||
| CHEMBL1095777 | 4137 | 48 | None | -1 | 8 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 16434564 | |||
| CHEMBL1095777 | 4137 | 48 | None | -1 | 8 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 22932315 | |||
| DB05039 | 4137 | 48 | None | -1 | 8 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 16434564 | |||
| DB05039 | 4137 | 48 | None | -1 | 8 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 22932315 | |||
| 2291 | 6470 | 51 | None | -11 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | None | |||
| 2561 | 6470 | 51 | None | -11 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | None | |||
| 4932 | 6470 | 51 | None | -11 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | None | |||
| CHEMBL631 | 6470 | 51 | None | -11 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | None | |||
| DB01182 | 6470 | 51 | None | -11 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | None | |||
| 1054 | 3263 | 41 | None | None | None | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | 27451411 | |||
| 59768 | 3263 | 41 | None | None | None | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | 27451411 | |||
| 7178 | 3263 | 41 | None | None | None | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | 27451411 | |||
| CHEMBL768 | 3263 | 41 | None | None | None | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | 27451411 | |||
| DB00187 | 3263 | 41 | None | None | None | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | 27451411 | |||
| 11823027 | 5529 | 0 | None | -7 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 309 | 5 | 4 | 5 | 0.6 | OC(COc1cccc2c1C[C@H](O)[C@@H](C2)O)CNC(C)(C)C | 10411574 | |||
| 39147 | 5529 | 0 | None | -7 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 309 | 5 | 4 | 5 | 0.6 | OC(COc1cccc2c1C[C@H](O)[C@@H](C2)O)CNC(C)(C)C | 10411574 | |||
| 554 | 5529 | 0 | None | -7 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 309 | 5 | 4 | 5 | 0.6 | OC(COc1cccc2c1C[C@H](O)[C@@H](C2)O)CNC(C)(C)C | 10411574 | |||
| CHEMBL3246778 | 5529 | 0 | None | -7 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 309 | 5 | 4 | 5 | 0.6 | OC(COc1cccc2c1C[C@H](O)[C@@H](C2)O)CNC(C)(C)C | 10411574 | |||
| CHEMBL649 | 5529 | 0 | None | -7 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 309 | 5 | 4 | 5 | 0.6 | OC(COc1cccc2c1C[C@H](O)[C@@H](C2)O)CNC(C)(C)C | 10411574 | |||
| DB01203 | 5529 | 0 | None | -7 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 309 | 5 | 4 | 5 | 0.6 | OC(COc1cccc2c1C[C@H](O)[C@@H](C2)O)CNC(C)(C)C | 10411574 | |||
| 114905 | 4629 | 0 | None | None | None | Human | 7.0 | pKi | = | 7 | Binding | Guide to Pharmacology | 509 | 13 | 3 | 9 | 0.7 | CC1(OC[C@H](O1)COC(=O)CCC2=CC=C(C=C2)OC[C@H](CNCCNC(=O)N3CCOCC3)O)C | 27451411 | |||
| 13192 | 4629 | 0 | None | None | None | Human | 7.0 | pKi | = | 7 | Binding | Guide to Pharmacology | 509 | 13 | 3 | 9 | 0.7 | CC1(OC[C@H](O1)COC(=O)CCC2=CC=C(C=C2)OC[C@H](CNCCNC(=O)N3CCOCC3)O)C | 27451411 | |||
| CHEMBL1742466 | 4629 | 0 | None | None | None | Human | 7.0 | pKi | = | 7 | Binding | Guide to Pharmacology | 509 | 13 | 3 | 9 | 0.7 | CC1(OC[C@H](O1)COC(=O)CCC2=CC=C(C=C2)OC[C@H](CNCCNC(=O)N3CCOCC3)O)C | 27451411 | |||
| DB12212 | 4629 | 0 | None | None | None | Human | 7.0 | pKi | = | 7 | Binding | Guide to Pharmacology | 509 | 13 | 3 | 9 | 0.7 | CC1(OC[C@H](O1)COC(=O)CCC2=CC=C(C=C2)OC[C@H](CNCCNC(=O)N3CCOCC3)O)C | 27451411 | |||
| 155774 | 8875 | 30 | None | None | None | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10531390 | |||
| 155774 | 8875 | 30 | None | None | None | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 15655528 | |||
| 2848 | 8875 | 30 | None | None | None | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10531390 | |||
| 2848 | 8875 | 30 | None | None | None | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 15655528 | |||
| 538 | 8875 | 30 | None | None | None | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10531390 | |||
| 538 | 8875 | 30 | None | None | None | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 15655528 | |||
| CHEMBL75753 | 8875 | 30 | None | None | None | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10531390 | |||
| CHEMBL75753 | 8875 | 30 | None | None | None | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 15655528 | |||
| DB13781 | 8875 | 30 | None | None | None | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10531390 | |||
| DB13781 | 8875 | 30 | None | None | None | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 15655528 | |||
| 2249 | 1058 | 67 | None | 1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10079020 | |||
| 2249 | 1058 | 67 | None | 1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 15060759 | |||
| 2249 | 1058 | 67 | None | 1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 15655528 | |||
| 255 | 1058 | 67 | None | 1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10079020 | |||
| 255 | 1058 | 67 | None | 1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 15060759 | |||
| 255 | 1058 | 67 | None | 1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 15655528 | |||
| 548 | 1058 | 67 | None | 1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10079020 | |||
| 548 | 1058 | 67 | None | 1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 15060759 | |||
| 548 | 1058 | 67 | None | 1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 15655528 | |||
| CHEMBL24 | 1058 | 67 | None | 1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10079020 | |||
| CHEMBL24 | 1058 | 67 | None | 1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 15060759 | |||
| CHEMBL24 | 1058 | 67 | None | 1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 15655528 | |||
| DB00335 | 1058 | 67 | None | 1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10079020 | |||
| DB00335 | 1058 | 67 | None | 1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 15060759 | |||
| DB00335 | 1058 | 67 | None | 1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 15655528 | |||
| 1786 | 5120 | 49 | None | -1 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10079020 | |||
| 1786 | 5120 | 49 | None | -1 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10411574 | |||
| 1786 | 5120 | 49 | None | -1 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 14645666 | |||
| 1786 | 5120 | 49 | None | -1 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 14730417 | |||
| 1786 | 5120 | 49 | None | -1 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 15655528 | |||
| 4171 | 5120 | 49 | None | -1 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10079020 | |||
| 4171 | 5120 | 49 | None | -1 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10411574 | |||
| 4171 | 5120 | 49 | None | -1 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 14645666 | |||
| 4171 | 5120 | 49 | None | -1 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 14730417 | |||
| 4171 | 5120 | 49 | None | -1 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 15655528 | |||
| 553 | 5120 | 49 | None | -1 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10079020 | |||
| 553 | 5120 | 49 | None | -1 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10411574 | |||
| 553 | 5120 | 49 | None | -1 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 14645666 | |||
| 553 | 5120 | 49 | None | -1 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 14730417 | |||
| 553 | 5120 | 49 | None | -1 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 15655528 | |||
| CHEMBL13 | 5120 | 49 | None | -1 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10079020 | |||
| CHEMBL13 | 5120 | 49 | None | -1 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10411574 | |||
| CHEMBL13 | 5120 | 49 | None | -1 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 14645666 | |||
| CHEMBL13 | 5120 | 49 | None | -1 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 14730417 | |||
| CHEMBL13 | 5120 | 49 | None | -1 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 15655528 | |||
| DB00264 | 5120 | 49 | None | -1 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10079020 | |||
| DB00264 | 5120 | 49 | None | -1 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10411574 | |||
| DB00264 | 5120 | 49 | None | -1 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 14645666 | |||
| DB00264 | 5120 | 49 | None | -1 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 14730417 | |||
| DB00264 | 5120 | 49 | None | -1 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 15655528 | |||
| 12582 | 1957 | 29 | None | -3 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 20590599 | |||
| 12582 | 1957 | 29 | None | -3 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 25324048 | |||
| 2783 | 1957 | 29 | None | -3 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 20590599 | |||
| 2783 | 1957 | 29 | None | -3 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 25324048 | |||
| 673 | 1957 | 29 | None | -3 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 20590599 | |||
| 673 | 1957 | 29 | None | -3 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 25324048 | |||
| CHEMBL49080 | 1957 | 29 | None | -3 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 20590599 | |||
| CHEMBL49080 | 1957 | 29 | None | -3 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 25324048 | |||
| DB01407 | 1957 | 29 | None | -3 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 20590599 | |||
| DB01407 | 1957 | 29 | None | -3 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 25324048 | |||
| 2405 | 1368 | 47 | None | -2 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | 10372227 | |||
| 2405 | 1368 | 47 | None | -2 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | 28400472 | |||
| 2405 | 1368 | 47 | None | -2 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | 35762357 | |||
| 380 | 1368 | 47 | None | -2 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | 10372227 | |||
| 380 | 1368 | 47 | None | -2 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | 28400472 | |||
| 380 | 1368 | 47 | None | -2 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | 35762357 | |||
| 7129 | 1368 | 47 | None | -2 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | 10372227 | |||
| 7129 | 1368 | 47 | None | -2 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | 28400472 | |||
| 7129 | 1368 | 47 | None | -2 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | 35762357 | |||
| CHEMBL645 | 1368 | 47 | None | -2 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | 10372227 | |||
| CHEMBL645 | 1368 | 47 | None | -2 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | 28400472 | |||
| CHEMBL645 | 1368 | 47 | None | -2 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | 35762357 | |||
| DB00612 | 1368 | 47 | None | -2 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | 10372227 | |||
| DB00612 | 1368 | 47 | None | -2 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | 28400472 | |||
| DB00612 | 1368 | 47 | None | -2 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | 35762357 | |||
| 1531 | 4617 | 40 | None | -1 | 9 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | 14645666 | |||
| 1531 | 4617 | 40 | None | -1 | 9 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | 15655528 | |||
| 3869 | 4617 | 40 | None | -1 | 9 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | 14645666 | |||
| 3869 | 4617 | 40 | None | -1 | 9 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | 15655528 | |||
| 7207 | 4617 | 40 | None | -1 | 9 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | 14645666 | |||
| 7207 | 4617 | 40 | None | -1 | 9 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | 15655528 | |||
| CHEMBL429 | 4617 | 40 | None | -1 | 9 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | 14645666 | |||
| CHEMBL429 | 4617 | 40 | None | -1 | 9 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | 15655528 | |||
| DB00598 | 4617 | 40 | None | -1 | 9 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | 14645666 | |||
| DB00598 | 4617 | 40 | None | -1 | 9 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | 15655528 | |||
| 5311452 | 7458 | 12 | None | -8 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 325 | 7 | 2 | 3 | 3.7 | CCc1ccccc1OC[C@H](CN[C@H]1CCCc2c1cccc2)O | 10411574 | |||
| 5311452 | 7458 | 12 | None | -8 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 325 | 7 | 2 | 3 | 3.7 | CCc1ccccc1OC[C@H](CN[C@H]1CCCc2c1cccc2)O | 15655528 | |||
| 5311452 | 7458 | 12 | None | -8 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 325 | 7 | 2 | 3 | 3.7 | CCc1ccccc1OC[C@H](CN[C@H]1CCCc2c1cccc2)O | 20590599 | |||
| 547 | 7458 | 12 | None | -8 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 325 | 7 | 2 | 3 | 3.7 | CCc1ccccc1OC[C@H](CN[C@H]1CCCc2c1cccc2)O | 10411574 | |||
| 547 | 7458 | 12 | None | -8 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 325 | 7 | 2 | 3 | 3.7 | CCc1ccccc1OC[C@H](CN[C@H]1CCCc2c1cccc2)O | 15655528 | |||
| 547 | 7458 | 12 | None | -8 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 325 | 7 | 2 | 3 | 3.7 | CCc1ccccc1OC[C@H](CN[C@H]1CCCc2c1cccc2)O | 20590599 | |||
| CHEMBL1326499 | 7458 | 12 | None | -8 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 325 | 7 | 2 | 3 | 3.7 | CCc1ccccc1OC[C@H](CN[C@H]1CCCc2c1cccc2)O | 10411574 | |||
| CHEMBL1326499 | 7458 | 12 | None | -8 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 325 | 7 | 2 | 3 | 3.7 | CCc1ccccc1OC[C@H](CN[C@H]1CCCc2c1cccc2)O | 15655528 | |||
| CHEMBL1326499 | 7458 | 12 | None | -8 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 325 | 7 | 2 | 3 | 3.7 | CCc1ccccc1OC[C@H](CN[C@H]1CCCc2c1cccc2)O | 20590599 | |||
| 156297 | 6815 | 0 | None | None | None | Human | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | 363 | 10 | 4 | 7 | 1.7 | COc1cc(CCNCC(COc2ccc(c(c2)O)O)O)ccc1OC | 9117106 | |||
| 5571 | 6815 | 0 | None | None | None | Human | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | 363 | 10 | 4 | 7 | 1.7 | COc1cc(CCNCC(COc2ccc(c(c2)O)O)O)ccc1OC | 9117106 | |||
| 12579 | 5620 | 0 | None | None | None | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 472 | 14 | 3 | 8 | 1.8 | NC(=O)C1=CC=C(OCCNC[C@H](O)COC2=CC3=C(O[C@H](COCC4CC4)CO3)C=C2)C=C1 | 28400472 | |||
| 60151587 | 5620 | 0 | None | None | None | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 472 | 14 | 3 | 8 | 1.8 | NC(=O)C1=CC=C(OCCNC[C@H](O)COC2=CC3=C(O[C@H](COCC4CC4)CO3)C=C2)C=C1 | 28400472 | |||
| 2303 | 6476 | 48 | None | -3 | 19 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10079020 | |||
| 2303 | 6476 | 48 | None | -3 | 19 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 15060759 | |||
| 2303 | 6476 | 48 | None | -3 | 19 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 15655528 | |||
| 2303 | 6476 | 48 | None | -3 | 19 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 27588207 | |||
| 4946 | 6476 | 48 | None | -3 | 19 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10079020 | |||
| 4946 | 6476 | 48 | None | -3 | 19 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 15060759 | |||
| 4946 | 6476 | 48 | None | -3 | 19 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 15655528 | |||
| 4946 | 6476 | 48 | None | -3 | 19 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 27588207 | |||
| 564 | 6476 | 48 | None | -3 | 19 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10079020 | |||
| 564 | 6476 | 48 | None | -3 | 19 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 15060759 | |||
| 564 | 6476 | 48 | None | -3 | 19 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 15655528 | |||
| 564 | 6476 | 48 | None | -3 | 19 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 27588207 | |||
| 63 | 6476 | 48 | None | -3 | 19 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10079020 | |||
| 63 | 6476 | 48 | None | -3 | 19 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 15060759 | |||
| 63 | 6476 | 48 | None | -3 | 19 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 15655528 | |||
| 63 | 6476 | 48 | None | -3 | 19 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 27588207 | |||
| 91536 | 6476 | 48 | None | -3 | 19 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10079020 | |||
| 91536 | 6476 | 48 | None | -3 | 19 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 15060759 | |||
| 91536 | 6476 | 48 | None | -3 | 19 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 15655528 | |||
| 91536 | 6476 | 48 | None | -3 | 19 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 27588207 | |||
| CHEMBL27 | 6476 | 48 | None | -3 | 19 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10079020 | |||
| CHEMBL27 | 6476 | 48 | None | -3 | 19 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 15060759 | |||
| CHEMBL27 | 6476 | 48 | None | -3 | 19 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 15655528 | |||
| CHEMBL27 | 6476 | 48 | None | -3 | 19 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 27588207 | |||
| CHEMBL452861 | 6476 | 48 | None | -3 | 19 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10079020 | |||
| CHEMBL452861 | 6476 | 48 | None | -3 | 19 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 15060759 | |||
| CHEMBL452861 | 6476 | 48 | None | -3 | 19 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 15655528 | |||
| CHEMBL452861 | 6476 | 48 | None | -3 | 19 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 27588207 | |||
| DB00571 | 6476 | 48 | None | -3 | 19 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10079020 | |||
| DB00571 | 6476 | 48 | None | -3 | 19 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 15060759 | |||
| DB00571 | 6476 | 48 | None | -3 | 19 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 15655528 | |||
| DB00571 | 6476 | 48 | None | -3 | 19 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 27588207 | |||
| 2475 | 1528 | 0 | None | -2 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 10079020 | |||
| 2475 | 1528 | 0 | None | -2 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 10411574 | |||
| 2475 | 1528 | 0 | None | -2 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 15655528 | |||
| 433 | 1528 | 0 | None | -2 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 10079020 | |||
| 433 | 1528 | 0 | None | -2 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 10411574 | |||
| 433 | 1528 | 0 | None | -2 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 15655528 | |||
| 550 | 1528 | 0 | None | -2 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 10079020 | |||
| 550 | 1528 | 0 | None | -2 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 10411574 | |||
| 550 | 1528 | 0 | None | -2 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 15655528 | |||
| CHEMBL305380 | 1528 | 0 | None | -2 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 10079020 | |||
| CHEMBL305380 | 1528 | 0 | None | -2 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 10411574 | |||
| CHEMBL305380 | 1528 | 0 | None | -2 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 15655528 | |||
| DB08808 | 1528 | 0 | None | -2 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 10079020 | |||
| DB08808 | 1528 | 0 | None | -2 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 10411574 | |||
| DB08808 | 1528 | 0 | None | -2 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 15655528 | |||
| 5311116 | 4758 | 10 | None | 44 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10079020 | |||
| 5311116 | 4758 | 10 | None | 44 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 28400472 | |||
| 544 | 4758 | 10 | None | 44 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10079020 | |||
| 544 | 4758 | 10 | None | 44 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 28400472 | |||
| CHEMBL207802 | 4758 | 10 | None | 44 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10079020 | |||
| CHEMBL207802 | 4758 | 10 | None | 44 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 28400472 | |||
| 3914 | 1526 | 0 | None | -7 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | None | |||
| 570 | 1526 | 0 | None | -7 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | None | |||
| CHEMBL293030 | 1526 | 0 | None | -7 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | None | |||
| 12580 | 5622 | 0 | None | None | None | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 484 | 13 | 3 | 8 | 1.9 | O[C@@H](CNCCOC1=CC=C2C(=O)NCC2=C1)COC3=CC4=C(O[C@H](COCC5CC5)CO4)C=C3 | 28400472 | |||
| 60150890 | 5622 | 0 | None | None | None | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 484 | 13 | 3 | 8 | 1.9 | O[C@@H](CNCCOC1=CC=C2C(=O)NCC2=C1)COC3=CC4=C(O[C@H](COCC5CC5)CO4)C=C3 | 28400472 | |||
| 33624 | 8322 | 24 | None | -4 | 7 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 14645666 | |||
| 33624 | 8322 | 24 | None | -4 | 7 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 15060759 | |||
| 33624 | 8322 | 24 | None | -4 | 7 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 15655528 | |||
| 4061 | 8322 | 24 | None | -4 | 7 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 14645666 | |||
| 4061 | 8322 | 24 | None | -4 | 7 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 15060759 | |||
| 4061 | 8322 | 24 | None | -4 | 7 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 15655528 | |||
| 565 | 8322 | 24 | None | -4 | 7 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 14645666 | |||
| 565 | 8322 | 24 | None | -4 | 7 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 15060759 | |||
| 565 | 8322 | 24 | None | -4 | 7 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 15655528 | |||
| CHEMBL499 | 8322 | 24 | None | -4 | 7 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 14645666 | |||
| CHEMBL499 | 8322 | 24 | None | -4 | 7 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 15060759 | |||
| CHEMBL499 | 8322 | 24 | None | -4 | 7 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 15655528 | |||
| DB00373 | 8322 | 24 | None | -4 | 7 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 14645666 | |||
| DB00373 | 8322 | 24 | None | -4 | 7 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 15060759 | |||
| DB00373 | 8322 | 24 | None | -4 | 7 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 15655528 | |||
| 2369 | 1284 | 48 | None | 11 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10079020 | |||
| 2369 | 1284 | 48 | None | 11 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 11572462 | |||
| 2369 | 1284 | 48 | None | 11 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 15655528 | |||
| 356 | 1284 | 48 | None | 11 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10079020 | |||
| 356 | 1284 | 48 | None | 11 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 11572462 | |||
| 356 | 1284 | 48 | None | 11 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 15655528 | |||
| 549 | 1284 | 48 | None | 11 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10079020 | |||
| 549 | 1284 | 48 | None | 11 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 11572462 | |||
| 549 | 1284 | 48 | None | 11 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 15655528 | |||
| CHEMBL423 | 1284 | 48 | None | 11 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10079020 | |||
| CHEMBL423 | 1284 | 48 | None | 11 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 11572462 | |||
| CHEMBL423 | 1284 | 48 | None | 11 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 15655528 | |||
| DB00195 | 1284 | 48 | None | 11 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10079020 | |||
| DB00195 | 1284 | 48 | None | 11 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 11572462 | |||
| DB00195 | 1284 | 48 | None | 11 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 15655528 | |||
| 2685 | 1837 | 22 | None | -1 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10079020 | |||
| 2685 | 1837 | 22 | None | -1 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10411574 | |||
| 2685 | 1837 | 22 | None | -1 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 15655528 | |||
| 2685 | 1837 | 22 | None | -1 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 26385885 | |||
| 2685 | 1837 | 22 | None | -1 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 27588207 | |||
| 541 | 1837 | 22 | None | -1 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10079020 | |||
| 541 | 1837 | 22 | None | -1 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10411574 | |||
| 541 | 1837 | 22 | None | -1 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 15655528 | |||
| 541 | 1837 | 22 | None | -1 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 26385885 | |||
| 541 | 1837 | 22 | None | -1 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 27588207 | |||
| CHEMBL280822 | 1837 | 22 | None | -1 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10079020 | |||
| CHEMBL280822 | 1837 | 22 | None | -1 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10411574 | |||
| CHEMBL280822 | 1837 | 22 | None | -1 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 15655528 | |||
| CHEMBL280822 | 1837 | 22 | None | -1 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 26385885 | |||
| CHEMBL280822 | 1837 | 22 | None | -1 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 27588207 | |||
| 123686 | 4050 | 42 | None | None | None | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 354 | 9 | 4 | 5 | 1.7 | C1=CC=C(C=C1)NC(=O)NCCNCC(COC2=CC=CC=C2C#N)O | 23614528 | |||
| 12581 | 4050 | 42 | None | None | None | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 354 | 9 | 4 | 5 | 1.7 | C1=CC=C(C=C1)NC(=O)NCCNCC(COC2=CC=CC=C2C#N)O | 23614528 | |||
| CHEMBL11268 | 4050 | 42 | None | None | None | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 354 | 9 | 4 | 5 | 1.7 | C1=CC=C(C=C1)NC(=O)NCCNCC(COC2=CC=CC=C2C#N)O | 23614528 | |||
| 2176 | 6361 | 47 | None | -1 | 14 | Human | 9.0 | pKi | = | 9.0 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 17804228 | |||
| 2176 | 6361 | 47 | None | -1 | 14 | Human | 9.0 | pKi | = | 9.0 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 20590599 | |||
| 4828 | 6361 | 47 | None | -1 | 14 | Human | 9.0 | pKi | = | 9.0 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 17804228 | |||
| 4828 | 6361 | 47 | None | -1 | 14 | Human | 9.0 | pKi | = | 9.0 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 20590599 | |||
| 91 | 6361 | 47 | None | -1 | 14 | Human | 9.0 | pKi | = | 9.0 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 17804228 | |||
| 91 | 6361 | 47 | None | -1 | 14 | Human | 9.0 | pKi | = | 9.0 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 20590599 | |||
| CHEMBL500 | 6361 | 47 | None | -1 | 14 | Human | 9.0 | pKi | = | 9.0 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 17804228 | |||
| CHEMBL500 | 6361 | 47 | None | -1 | 14 | Human | 9.0 | pKi | = | 9.0 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 20590599 | |||
| DB00960 | 6361 | 47 | None | -1 | 14 | Human | 9.0 | pKi | = | 9.0 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 17804228 | |||
| DB00960 | 6361 | 47 | None | -1 | 14 | Human | 9.0 | pKi | = | 9.0 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 20590599 | |||
| 2687 | 1835 | 0 | None | -1 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 15060759 | |||
| 2687 | 1835 | 0 | None | -1 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 15655528 | |||
| 2687 | 1835 | 0 | None | -1 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 27588207 | |||
| 532 | 1835 | 0 | None | -1 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 15060759 | |||
| 532 | 1835 | 0 | None | -1 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 15655528 | |||
| 532 | 1835 | 0 | None | -1 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 27588207 | |||
| CHEMBL420746 | 1835 | 0 | None | -1 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 15060759 | |||
| CHEMBL420746 | 1835 | 0 | None | -1 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 15655528 | |||
| CHEMBL420746 | 1835 | 0 | None | -1 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 27588207 | |||
| 2176 | 6361 | 47 | None | -1 | 14 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 14645666 | |||
| 2176 | 6361 | 47 | None | -1 | 14 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 15060759 | |||
| 2176 | 6361 | 47 | None | -1 | 14 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 20590599 | |||
| 4828 | 6361 | 47 | None | -1 | 14 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 14645666 | |||
| 4828 | 6361 | 47 | None | -1 | 14 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 15060759 | |||
| 4828 | 6361 | 47 | None | -1 | 14 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 20590599 | |||
| 91 | 6361 | 47 | None | -1 | 14 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 14645666 | |||
| 91 | 6361 | 47 | None | -1 | 14 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 15060759 | |||
| 91 | 6361 | 47 | None | -1 | 14 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 20590599 | |||
| CHEMBL500 | 6361 | 47 | None | -1 | 14 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 14645666 | |||
| CHEMBL500 | 6361 | 47 | None | -1 | 14 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 15060759 | |||
| CHEMBL500 | 6361 | 47 | None | -1 | 14 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 20590599 | |||
| DB00960 | 6361 | 47 | None | -1 | 14 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 14645666 | |||
| DB00960 | 6361 | 47 | None | -1 | 14 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 15060759 | |||
| DB00960 | 6361 | 47 | None | -1 | 14 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 20590599 | |||
| 2585 | 1662 | 62 | None | -1 | 22 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10411574 | |||
| 2585 | 1662 | 62 | None | -1 | 22 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 15655528 | |||
| 522 | 1662 | 62 | None | -1 | 22 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10411574 | |||
| 522 | 1662 | 62 | None | -1 | 22 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 15655528 | |||
| 551 | 1662 | 62 | None | -1 | 22 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10411574 | |||
| 551 | 1662 | 62 | None | -1 | 22 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 15655528 | |||
| CHEMBL723 | 1662 | 62 | None | -1 | 22 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10411574 | |||
| CHEMBL723 | 1662 | 62 | None | -1 | 22 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 15655528 | |||
| DB01136 | 1662 | 62 | None | -1 | 22 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10411574 | |||
| DB01136 | 1662 | 62 | None | -1 | 22 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 15655528 | |||
| 13193 | 1518 | 0 | None | None | None | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 363 | 8 | 3 | 4 | 3.4 | CC(C)(CC1=CNC2=CC=CC=C21)NCC(COC3=CC=CC=C3C#N)O | 20590599 | |||
| 51045 | 1518 | 0 | None | None | None | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 363 | 8 | 3 | 4 | 3.4 | CC(C)(CC1=CNC2=CC=CC=C21)NCC(COC3=CC=CC=C3C#N)O | 20590599 | |||
| CHEMBL321582 | 1518 | 0 | None | None | None | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 363 | 8 | 3 | 4 | 3.4 | CC(C)(CC1=CNC2=CC=CC=C21)NCC(COC3=CC=CC=C3C#N)O | 20590599 | |||
| DB12752 | 1518 | 0 | None | None | None | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 363 | 8 | 3 | 4 | 3.4 | CC(C)(CC1=CNC2=CC=CC=C21)NCC(COC3=CC=CC=C3C#N)O | 20590599 | |||
| 2687 | 1835 | 0 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 10079020 | |||
| 2687 | 1835 | 0 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 15655528 | |||
| 2687 | 1835 | 0 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 20590599 | |||
| 532 | 1835 | 0 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 10079020 | |||
| 532 | 1835 | 0 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 15655528 | |||
| 532 | 1835 | 0 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 20590599 | |||
| CHEMBL420746 | 1835 | 0 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 10079020 | |||
| CHEMBL420746 | 1835 | 0 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 15655528 | |||
| CHEMBL420746 | 1835 | 0 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 20590599 | |||
| 135398737 | 1973 | 61 | None | -2 | 61 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 2818 | 1973 | 61 | None | -2 | 61 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 38 | 1973 | 61 | None | -2 | 61 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 722 | 1973 | 61 | None | -2 | 61 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| CHEMBL253391 | 1973 | 61 | None | -2 | 61 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| CHEMBL42 | 1973 | 61 | None | -2 | 61 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| DB00363 | 1973 | 61 | None | -2 | 61 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 135398745 | 5933 | 69 | None | -2 | 45 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| 1982 | 5933 | 69 | None | -2 | 45 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| 4585 | 5933 | 69 | None | -2 | 45 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| 47 | 5933 | 69 | None | -2 | 45 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| CHEMBL715 | 5933 | 69 | None | -2 | 45 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| DB00334 | 5933 | 69 | None | -2 | 45 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| 2181 | 6363 | 43 | None | -1 | 16 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | |||
| 4830 | 6363 | 43 | None | -1 | 16 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | |||
| 92 | 6363 | 43 | None | -1 | 16 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | |||
| CHEMBL440294 | 6363 | 43 | None | -1 | 16 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | |||
| DB09286 | 6363 | 43 | None | -1 | 16 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | |||
| 2337 | 6622 | 53 | None | 1 | 36 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| 50 | 6622 | 53 | None | 1 | 36 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| 5002 | 6622 | 53 | None | 1 | 36 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| CHEMBL716 | 6622 | 53 | None | 1 | 36 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| DB01224 | 6622 | 53 | None | 1 | 36 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| 2389 | 6775 | 83 | None | -14 | 45 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| 5073 | 6775 | 83 | None | -14 | 45 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| 96 | 6775 | 83 | None | -14 | 45 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| CHEMBL85 | 6775 | 83 | None | -14 | 45 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| DB00734 | 6775 | 83 | None | -14 | 45 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| 2435 | 7298 | 64 | None | -4 | 28 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | |||
| 60149 | 7298 | 64 | None | -4 | 28 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | |||
| 98 | 7298 | 64 | None | -4 | 28 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | |||
| CHEMBL12713 | 7298 | 64 | None | -4 | 28 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | |||
| DB06144 | 7298 | 64 | None | -4 | 28 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | |||
| 115237 | 118408 | 70 | None | -1 | 26 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | |||
| 4137 | 118408 | 70 | None | -1 | 26 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | |||
| CHEMBL1621 | 118408 | 70 | None | -1 | 26 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | |||
| DB01267 | 118408 | 70 | None | -1 | 26 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | |||
| 11954293 | 212936 | 14 | None | -3 | 28 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
| 3036780 | 212936 | 14 | None | -3 | 28 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
| 4115 | 212936 | 14 | None | -3 | 28 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
| 9903970 | 212936 | 14 | None | -3 | 28 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
| CHEMBL3187365 | 212936 | 14 | None | -3 | 28 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
| CHEMBL504548 | 212936 | 14 | None | -3 | 28 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
| DB06216 | 212936 | 14 | None | -3 | 28 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
| 1028 | 599 | 43 | None | -21 | 18 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 479 | 599 | 43 | None | -21 | 18 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 5816 | 599 | 43 | None | -21 | 18 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| CHEMBL679 | 599 | 43 | None | -21 | 18 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| DB00668 | 599 | 43 | None | -21 | 18 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 1150 | 473039 | 11 | None | -1 | 19 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
| 3337 | 473039 | 11 | None | -1 | 19 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
| 65801 | 473039 | 11 | None | -1 | 19 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
| 66264 | 473039 | 11 | None | -1 | 19 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
| 91452 | 473039 | 11 | None | -1 | 19 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
| CHEMBL87493 | 473039 | 11 | None | -1 | 19 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
| DB00574 | 473039 | 11 | None | -1 | 19 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
| 2601 | 8241 | 23 | None | -3 | 19 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| 443951 | 8241 | 23 | None | -3 | 19 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| 56 | 8241 | 23 | None | -3 | 19 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| CHEMBL73151 | 8241 | 23 | None | -3 | 19 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| DB13399 | 8241 | 23 | None | -3 | 19 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| 2723 | 123170 | 6 | None | -2 | 6 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 345 | 5 | 3 | 6 | 2.6 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | None | |||
| 65772 | 123170 | 6 | None | -2 | 6 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 345 | 5 | 3 | 6 | 2.6 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | None | |||
| CHEMBL174984 | 123170 | 6 | None | -2 | 6 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 345 | 5 | 3 | 6 | 2.6 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | None | |||
| DB13692 | 123170 | 6 | None | -2 | 6 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 345 | 5 | 3 | 6 | 2.6 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | None | |||
| 173382 | 8114 | 0 | None | None | None | Human | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | 333 | 8 | 4 | 6 | 2.0 | COc1cc(CCNCC(c2ccc(c(c2)O)O)O)ccc1OC | 8982677 | |||
| 533 | 8114 | 0 | None | None | None | Human | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | 333 | 8 | 4 | 6 | 2.0 | COc1cc(CCNCC(c2ccc(c(c2)O)O)O)ccc1OC | 8982677 | |||
| 193122 | 3907 | 4 | None | None | None | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 283 | 10 | 2 | 5 | 1.5 | COCCOc1ccc(cc1)OCC(CNC(C)C)O | 10079020 | |||
| 542 | 3907 | 4 | None | None | None | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 283 | 10 | 2 | 5 | 1.5 | COCCOc1ccc(cc1)OCC(CNC(C)C)O | 10079020 | |||
| CHEMBL142773 | 3907 | 4 | None | None | None | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 283 | 10 | 2 | 5 | 1.5 | COCCOc1ccc(cc1)OCC(CNC(C)C)O | 10079020 | |||
| 10587912 | 5759 | 0 | None | 12 | 2 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 267 | 9 | 3 | 4 | 1.3 | OCCCc1ccc(cc1)OCC(CNC(C)C)O | 10079020 | |||
| 545 | 5759 | 0 | None | 12 | 2 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 267 | 9 | 3 | 4 | 1.3 | OCCCc1ccc(cc1)OCC(CNC(C)C)O | 10079020 | |||
| 146294 | 1913 | 0 | None | 6 | 2 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 323 | 12 | 2 | 5 | 2.2 | OC(COc1ccc(cc1)OCCOCC1CC1)CNC(C)C | 10079020 | |||
| 552 | 1913 | 0 | None | 6 | 2 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 323 | 12 | 2 | 5 | 2.2 | OC(COc1ccc(cc1)OCCOCC1CC1)CNC(C)C | 10079020 | |||
| 637 | 1913 | 0 | None | 6 | 2 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 323 | 12 | 2 | 5 | 2.2 | OC(COc1ccc(cc1)OCCOCC1CC1)CNC(C)C | 10079020 | |||
| CHEMBL2110772 | 1913 | 0 | None | 6 | 2 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 323 | 12 | 2 | 5 | 2.2 | OC(COc1ccc(cc1)OCCOCC1CC1)CNC(C)C | 10079020 | |||
| 3123920 | 5765 | 59 | None | 7 | 3 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 209 | 6 | 2 | 3 | 1.4 | OC(COc1ccccc1)CNC(C)C | 10079020 | |||
| 546 | 5765 | 59 | None | 7 | 3 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 209 | 6 | 2 | 3 | 1.4 | OC(COc1ccccc1)CNC(C)C | 10079020 | |||
| CHEMBL7154 | 5765 | 59 | None | 7 | 3 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 209 | 6 | 2 | 3 | 1.4 | OC(COc1ccccc1)CNC(C)C | 10079020 | |||