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 |
| 187 | 524 | 25 | None | -1 | 5 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2012.05.048 | ||
| 294 | 524 | 25 | None | -1 | 5 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2012.05.048 | ||
| 65 | 524 | 25 | None | -1 | 5 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2012.05.048 | ||
| CHEMBL667 | 524 | 25 | None | -1 | 5 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2012.05.048 | ||
| DB03128 | 524 | 25 | None | -1 | 5 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2012.05.048 | ||
| 187 | 524 | 25 | None | -1 | 5 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm100697g | ||
| 294 | 524 | 25 | None | -1 | 5 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm100697g | ||
| 65 | 524 | 25 | None | -1 | 5 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm100697g | ||
| CHEMBL667 | 524 | 25 | None | -1 | 5 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm100697g | ||
| DB03128 | 524 | 25 | None | -1 | 5 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm100697g | ||
| 2551 | 1644 | 11 | None | -8 | 9 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | ||
| 298 | 1644 | 11 | None | -8 | 9 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | ||
| 488 | 1644 | 11 | None | -8 | 9 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | ||
| 5831 | 1644 | 11 | None | -8 | 9 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | ||
| CHEMBL965 | 1644 | 11 | None | -8 | 9 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | ||
| DB00411 | 1644 | 11 | None | -8 | 9 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | ||
| 334 | 487 | 33 | None | -24 | 3 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 348 | 7 | 0 | 3 | 3.8 | CCCCC1CCN(CC1)CCCN1C(=O)COc2c1ccc(c2)F | 10.1016/j.bmcl.2012.03.088 | ||
| 9928284 | 487 | 33 | None | -24 | 3 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 348 | 7 | 0 | 3 | 3.8 | CCCCC1CCN(CC1)CCCN1C(=O)COc2c1ccc(c2)F | 10.1016/j.bmcl.2012.03.088 | ||
| CHEMBL2022960 | 487 | 33 | None | -24 | 3 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 348 | 7 | 0 | 3 | 3.8 | CCCCC1CCN(CC1)CCCN1C(=O)COc2c1ccc(c2)F | 10.1016/j.bmcl.2012.03.088 | ||
| 25199525 | 39971 | 0 | None | -39 | 3 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 358 | 4 | 0 | 5 | 4.0 | CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| CHEMBL1223807 | 39971 | 0 | None | -39 | 3 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 358 | 4 | 0 | 5 | 4.0 | CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| 25207745 | 40016 | 0 | None | -100 | 5 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 413 | 6 | 0 | 7 | 3.5 | COCCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(C#N)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| CHEMBL1223941 | 40016 | 0 | None | -100 | 5 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 413 | 6 | 0 | 7 | 3.5 | COCCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(C#N)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| 17516658 | 106832 | 2 | None | None | None | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 444 | 6 | 0 | 5 | 2.9 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 | 10.1021/jm500995y | ||
| CHEMBL1602658 | 106832 | 2 | None | None | None | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 444 | 6 | 0 | 5 | 2.9 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 | 10.1021/jm500995y | ||
| 3257 | 8733 | 53 | None | -1047 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F | 10.1016/j.bmcl.2009.11.089 | ||
| 42633508 | 8733 | 53 | None | -1047 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F | 10.1016/j.bmcl.2009.11.089 | ||
| CHEMBL466253 | 8733 | 53 | None | -1047 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F | 10.1016/j.bmcl.2009.11.089 | ||
| 71737628 | 233227 | 0 | None | None | None | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 442 | 6 | 0 | 4 | 3.6 | CCN(C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1)[C@H](C)c1ccccc1 | 10.1021/jm500995y | ||
| CHEMBL3329738 | 233227 | 0 | None | None | None | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 442 | 6 | 0 | 4 | 3.6 | CCN(C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1)[C@H](C)c1ccccc1 | 10.1021/jm500995y | ||
| 71737628 | 233227 | 0 | None | None | None | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 442 | 6 | 0 | 4 | 3.6 | CCN(C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1)[C@H](C)c1ccccc1 | 10.1021/jm500995y | ||
| CHEMBL3329738 | 233227 | 0 | None | None | None | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 442 | 6 | 0 | 4 | 3.6 | CCN(C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1)[C@H](C)c1ccccc1 | 10.1021/jm500995y | ||
| 3257 | 8733 | 53 | None | -1047 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F | 10.1021/jm900286j | ||
| 42633508 | 8733 | 53 | None | -1047 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F | 10.1021/jm900286j | ||
| CHEMBL466253 | 8733 | 53 | None | -1047 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F | 10.1021/jm900286j | ||
| 24967746 | 39945 | 0 | None | -31 | 5 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 403 | 5 | 1 | 4 | 4.5 | CCCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)[nH]c4cc(F)c(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| CHEMBL1223754 | 39945 | 0 | None | -31 | 5 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 403 | 5 | 1 | 4 | 4.5 | CCCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)[nH]c4cc(F)c(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| 118712536 | 233247 | 0 | None | None | None | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 536 | 6 | 1 | 4 | 5.1 | CC(C)(C)CN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329764 | 233247 | 0 | None | None | None | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 536 | 6 | 1 | 4 | 5.1 | CC(C)(C)CN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1 | 10.1021/jm500995y | ||
| 118712537 | 233248 | 0 | None | None | None | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 520 | 7 | 1 | 4 | 4.4 | O=C(C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1)N(Cc1ccccc1C(F)(F)F)CC1CC1 | 10.1021/jm500995y | ||
| CHEMBL3329765 | 233248 | 0 | None | None | None | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 520 | 7 | 1 | 4 | 4.4 | O=C(C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1)N(Cc1ccccc1C(F)(F)F)CC1CC1 | 10.1021/jm500995y | ||
| 118712537 | 233248 | 0 | None | None | None | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 520 | 7 | 1 | 4 | 4.4 | O=C(C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1)N(Cc1ccccc1C(F)(F)F)CC1CC1 | 10.1021/jm500995y | ||
| CHEMBL3329765 | 233248 | 0 | None | None | None | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 520 | 7 | 1 | 4 | 4.4 | O=C(C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1)N(Cc1ccccc1C(F)(F)F)CC1CC1 | 10.1021/jm500995y | ||
| 44208359 | 40589 | 0 | None | -93 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 501 | 9 | 1 | 5 | 3.5 | COc1ccc(CC(=O)NC2CCN(CCCN3C(=O)CCc4cc(F)c(F)cc43)CC2)cc1OC | 10.1021/jm100697g | ||
| CHEMBL1242979 | 40589 | 0 | None | -93 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 501 | 9 | 1 | 5 | 3.5 | COc1ccc(CC(=O)NC2CCN(CCCN3C(=O)CCc4cc(F)c(F)cc43)CC2)cc1OC | 10.1021/jm100697g | ||
| 306 | 7028 | 17 | None | -5 | 5 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10.1016/j.bmcl.2015.08.011 | ||
| 3536 | 7028 | 17 | None | -5 | 5 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10.1016/j.bmcl.2015.08.011 | ||
| 9577995 | 7028 | 17 | None | -5 | 5 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10.1016/j.bmcl.2015.08.011 | ||
| CHEMBL134641 | 7028 | 17 | None | -5 | 5 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10.1016/j.bmcl.2015.08.011 | ||
| 118712536 | 233247 | 0 | None | None | None | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 536 | 6 | 1 | 4 | 5.1 | CC(C)(C)CN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329764 | 233247 | 0 | None | None | None | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 536 | 6 | 1 | 4 | 5.1 | CC(C)(C)CN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1 | 10.1021/jm500995y | ||
| 42599068 | 39969 | 0 | None | -39 | 5 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 356 | 3 | 0 | 3 | 3.7 | CO[C@H]1CC[C@](C)(N2CCC(N3C(=O)Cc4ccc(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| CHEMBL1223805 | 39969 | 0 | None | -39 | 5 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 356 | 3 | 0 | 3 | 3.7 | CO[C@H]1CC[C@](C)(N2CCC(N3C(=O)Cc4ccc(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| 42598359 | 39996 | 0 | None | -100 | 5 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 436 | 5 | 0 | 7 | 3.4 | CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(S(C)(=O)=O)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| CHEMBL1223864 | 39996 | 0 | None | -100 | 5 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 436 | 5 | 0 | 7 | 3.4 | CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(S(C)(=O)=O)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| 16123945 | 161913 | 10 | None | -251 | 5 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 315 | 2 | 1 | 4 | 2.5 | Cc1ccc2[nH]c(=O)n(C3CCN(C4CCOCC4)CC3)c2c1 | 10.1021/ml100105x | ||
| CHEMBL2146599 | 161913 | 10 | None | -251 | 5 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 315 | 2 | 1 | 4 | 2.5 | Cc1ccc2[nH]c(=O)n(C3CCN(C4CCOCC4)CC3)c2c1 | 10.1021/ml100105x | ||
| 71771056 | 233245 | 0 | None | None | None | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 512 | 7 | 1 | 4 | 4.0 | O=C(C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1)N(CCF)Cc1ccccc1C(F)(F)F | 10.1021/jm500995y | ||
| CHEMBL3329762 | 233245 | 0 | None | None | None | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 512 | 7 | 1 | 4 | 4.0 | O=C(C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1)N(CCF)Cc1ccccc1C(F)(F)F | 10.1021/jm500995y | ||
| 3652 | 8876 | 57 | None | -19 | 7 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0606995 | ||
| 57 | 8876 | 57 | None | -19 | 7 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0606995 | ||
| 60809 | 8876 | 57 | None | -19 | 7 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0606995 | ||
| CHEMBL21536 | 8876 | 57 | None | -19 | 7 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0606995 | ||
| DB15357 | 8876 | 57 | None | -19 | 7 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0606995 | ||
| 118712538 | 233249 | 0 | None | None | None | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 534 | 7 | 1 | 4 | 4.8 | O=C(C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1)N(Cc1ccccc1C(F)(F)F)CC1CCC1 | 10.1021/jm500995y | ||
| CHEMBL3329766 | 233249 | 0 | None | None | None | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 534 | 7 | 1 | 4 | 4.8 | O=C(C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1)N(Cc1ccccc1C(F)(F)F)CC1CCC1 | 10.1021/jm500995y | ||
| 118712538 | 233249 | 0 | None | None | None | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 534 | 7 | 1 | 4 | 4.8 | O=C(C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1)N(Cc1ccccc1C(F)(F)F)CC1CCC1 | 10.1021/jm500995y | ||
| CHEMBL3329766 | 233249 | 0 | None | None | None | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 534 | 7 | 1 | 4 | 4.8 | O=C(C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1)N(Cc1ccccc1C(F)(F)F)CC1CCC1 | 10.1021/jm500995y | ||
| 139414008 | 328528 | 0 | None | -7 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 346 | 2 | 1 | 2 | 5.1 | CC(C)[C@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2NC1=S | 10.1016/j.bmcl.2017.11.008 | ||
| 139414129 | 328528 | 0 | None | -7 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 346 | 2 | 1 | 2 | 5.1 | CC(C)[C@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2NC1=S | 10.1016/j.bmcl.2017.11.008 | ||
| CHEMBL4203058 | 328528 | 0 | None | -7 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 346 | 2 | 1 | 2 | 5.1 | CC(C)[C@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2NC1=S | 10.1016/j.bmcl.2017.11.008 | ||
| CHEMBL4212760 | 328528 | 0 | None | -7 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 346 | 2 | 1 | 2 | 5.1 | CC(C)[C@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2NC1=S | 10.1016/j.bmcl.2017.11.008 | ||
| 71771056 | 233245 | 0 | None | None | None | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 512 | 7 | 1 | 4 | 4.0 | O=C(C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1)N(CCF)Cc1ccccc1C(F)(F)F | 10.1021/jm500995y | ||
| CHEMBL3329762 | 233245 | 0 | None | None | None | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 512 | 7 | 1 | 4 | 4.0 | O=C(C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1)N(CCF)Cc1ccccc1C(F)(F)F | 10.1021/jm500995y | ||
| 168797649 | 392412 | 0 | None | None | None | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 381 | 3 | 0 | 7 | 2.2 | Cc1ncc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3F)CC2)s1 | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5595718 | 392412 | 0 | None | None | None | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 381 | 3 | 0 | 7 | 2.2 | Cc1ncc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3F)CC2)s1 | 10.1021/acs.jmedchem.4c01193 | ||
| 156246105 | 387622 | 4 | None | -83 | 4 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 402 | 4 | 0 | 4 | 3.0 | COc1ccc(F)cc1C1CCN([C@@H]2CCC3(C2)CN(C(=O)C2COC2)C3)CC1 | 10.1021/acsmedchemlett.3c00331 | ||
| CHEMBL5399732 | 387622 | 4 | None | -83 | 4 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 402 | 4 | 0 | 4 | 3.0 | COc1ccc(F)cc1C1CCN([C@@H]2CCC3(C2)CN(C(=O)C2COC2)C3)CC1 | 10.1021/acsmedchemlett.3c00331 | ||
| 3652 | 8876 | 57 | None | -19 | 7 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm100697g | ||
| 57 | 8876 | 57 | None | -19 | 7 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm100697g | ||
| 60809 | 8876 | 57 | None | -19 | 7 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm100697g | ||
| CHEMBL21536 | 8876 | 57 | None | -19 | 7 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm100697g | ||
| DB15357 | 8876 | 57 | None | -19 | 7 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm100697g | ||
| 3652 | 8876 | 57 | None | -19 | 7 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmcl.2015.08.011 | ||
| 57 | 8876 | 57 | None | -19 | 7 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmcl.2015.08.011 | ||
| 60809 | 8876 | 57 | None | -19 | 7 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmcl.2015.08.011 | ||
| CHEMBL21536 | 8876 | 57 | None | -19 | 7 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmcl.2015.08.011 | ||
| DB15357 | 8876 | 57 | None | -19 | 7 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmcl.2015.08.011 | ||
| 118712535 | 233246 | 0 | None | None | None | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 522 | 7 | 1 | 4 | 4.8 | CCC(C)N(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329763 | 233246 | 0 | None | None | None | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 522 | 7 | 1 | 4 | 4.8 | CCC(C)N(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1 | 10.1021/jm500995y | ||
| 46945663 | 41412 | 0 | None | None | None | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 432 | 5 | 0 | 5 | 4.6 | O=C1C(=O)N(Cc2ccc(Oc3cccc(F)n3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2010.08.042 | ||
| CHEMBL1257975 | 41412 | 0 | None | None | None | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 432 | 5 | 0 | 5 | 4.6 | O=C1C(=O)N(Cc2ccc(Oc3cccc(F)n3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2010.08.042 | ||
| 71737627 | 233231 | 0 | None | None | None | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 444 | 6 | 1 | 4 | 3.2 | CCN(Cc1cccc(F)c1)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329743 | 233231 | 0 | None | None | None | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 444 | 6 | 1 | 4 | 3.2 | CCN(Cc1cccc(F)c1)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| 118712535 | 233246 | 0 | None | None | None | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 522 | 7 | 1 | 4 | 4.8 | CCC(C)N(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329763 | 233246 | 0 | None | None | None | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 522 | 7 | 1 | 4 | 4.8 | CCC(C)N(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1 | 10.1021/jm500995y | ||
| 71737627 | 233231 | 0 | None | None | None | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 444 | 6 | 1 | 4 | 3.2 | CCN(Cc1cccc(F)c1)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329743 | 233231 | 0 | None | None | None | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 444 | 6 | 1 | 4 | 3.2 | CCN(Cc1cccc(F)c1)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| 71771058 | 233242 | 0 | None | None | None | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 508 | 7 | 1 | 4 | 4.4 | CCCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329756 | 233242 | 0 | None | None | None | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 508 | 7 | 1 | 4 | 4.4 | CCCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1 | 10.1021/jm500995y | ||
| 71737578 | 233221 | 0 | None | None | None | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 426 | 6 | 1 | 4 | 3.0 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329730 | 233221 | 0 | None | None | None | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 426 | 6 | 1 | 4 | 3.0 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1 | 10.1021/jm500995y | ||
| 42598828 | 39993 | 0 | None | -125 | 5 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 390 | 4 | 0 | 5 | 4.4 | CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4c(F)cc(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| CHEMBL1223861 | 39993 | 0 | None | -125 | 5 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 390 | 4 | 0 | 5 | 4.4 | CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4c(F)cc(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| 42598360 | 39994 | 0 | None | -63 | 5 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 388 | 5 | 0 | 6 | 4.0 | CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(OC)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| CHEMBL1223862 | 39994 | 0 | None | -63 | 5 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 388 | 5 | 0 | 6 | 4.0 | CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(OC)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| 25230693 | 40015 | 0 | None | -63 | 5 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 402 | 6 | 0 | 6 | 3.9 | COCCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| CHEMBL1223940 | 40015 | 0 | None | -63 | 5 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 402 | 6 | 0 | 6 | 3.9 | COCCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| 44204999 | 136152 | 4 | None | -31 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 369 | 6 | 1 | 4 | 3.6 | O=c1[nH]c2ccccc2n1C1CCN(CCCOc2ccc(F)cc2)CC1 | 10.1021/ml100105x | ||
| CHEMBL1802360 | 136152 | 4 | None | -31 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 369 | 6 | 1 | 4 | 3.6 | O=c1[nH]c2ccccc2n1C1CCN(CCCOc2ccc(F)cc2)CC1 | 10.1021/ml100105x | ||
| 71771058 | 233242 | 0 | None | None | None | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 508 | 7 | 1 | 4 | 4.4 | CCCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329756 | 233242 | 0 | None | None | None | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 508 | 7 | 1 | 4 | 4.4 | CCCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1 | 10.1021/jm500995y | ||
| 52947398 | 41230 | 0 | None | None | None | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 398 | 4 | 0 | 4 | 4.4 | O=C1C(=O)N(Cc2ccc(-c3cccnc3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2010.08.042 | ||
| CHEMBL1257388 | 41230 | 0 | None | None | None | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 398 | 4 | 0 | 4 | 4.4 | O=C1C(=O)N(Cc2ccc(-c3cccnc3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2010.08.042 | ||
| 45281794 | 433170 | 47 | None | None | None | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 397 | 4 | 0 | 3 | 5.0 | O=C1C(=O)N(Cc2ccc(-c3ccccc3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2010.08.042 | ||
| CHEMBL593506 | 433170 | 47 | None | None | None | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 397 | 4 | 0 | 3 | 5.0 | O=C1C(=O)N(Cc2ccc(-c3ccccc3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2010.08.042 | ||
| 71737578 | 233221 | 0 | None | None | None | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 426 | 6 | 1 | 4 | 3.0 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329730 | 233221 | 0 | None | None | None | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 426 | 6 | 1 | 4 | 3.0 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1 | 10.1021/jm500995y | ||
| 71737646 | 233233 | 0 | None | None | None | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 460 | 6 | 1 | 4 | 3.7 | CCN(Cc1cccc(Cl)c1)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329745 | 233233 | 0 | None | None | None | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 460 | 6 | 1 | 4 | 3.7 | CCN(Cc1cccc(Cl)c1)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| 71737646 | 233233 | 0 | None | None | None | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 460 | 6 | 1 | 4 | 3.7 | CCN(Cc1cccc(Cl)c1)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329745 | 233233 | 0 | None | None | None | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 460 | 6 | 1 | 4 | 3.7 | CCN(Cc1cccc(Cl)c1)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| 71737611 | 233222 | 0 | None | None | None | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 426 | 6 | 1 | 4 | 3.0 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329731 | 233222 | 0 | None | None | None | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 426 | 6 | 1 | 4 | 3.0 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| 135409468 | 4159 | 52 | None | -3 | 4 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | 10.1021/jm100697g | ||
| 333 | 4159 | 52 | None | -3 | 4 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | 10.1021/jm100697g | ||
| CHEMBL845 | 4159 | 52 | None | -3 | 4 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | 10.1021/jm100697g | ||
| 44158075 | 352712 | 0 | None | None | None | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1cccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc32)c1 | 10.1021/jm900286j | ||
| CHEMBL469144 | 352712 | 0 | None | None | None | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1cccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc32)c1 | 10.1021/jm900286j | ||
| 71737611 | 233222 | 0 | None | None | None | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 426 | 6 | 1 | 4 | 3.0 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329731 | 233222 | 0 | None | None | None | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 426 | 6 | 1 | 4 | 3.0 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| 168797862 | 392111 | 0 | None | None | None | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 431 | 3 | 0 | 7 | 3.1 | Cc1ncc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3C(F)(F)F)CC2)s1 | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5590653 | 392111 | 0 | None | None | None | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 431 | 3 | 0 | 7 | 3.1 | Cc1ncc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3C(F)(F)F)CC2)s1 | 10.1021/acs.jmedchem.4c01193 | ||
| 71771053 | 233243 | 0 | None | None | None | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 506 | 7 | 1 | 4 | 4.2 | C=CCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329757 | 233243 | 0 | None | None | None | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 506 | 7 | 1 | 4 | 4.2 | C=CCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1 | 10.1021/jm500995y | ||
| 118712534 | 233244 | 0 | None | None | None | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 520 | 6 | 1 | 4 | 4.6 | O=C(C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1)N(Cc1ccccc1C(F)(F)F)C1CCC1 | 10.1021/jm500995y | ||
| CHEMBL3329760 | 233244 | 0 | None | None | None | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 520 | 6 | 1 | 4 | 4.6 | O=C(C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1)N(Cc1ccccc1C(F)(F)F)C1CCC1 | 10.1021/jm500995y | ||
| 71771053 | 233243 | 0 | None | None | None | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 506 | 7 | 1 | 4 | 4.2 | C=CCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329757 | 233243 | 0 | None | None | None | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 506 | 7 | 1 | 4 | 4.2 | C=CCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1 | 10.1021/jm500995y | ||
| 118712534 | 233244 | 0 | None | None | None | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 520 | 6 | 1 | 4 | 4.6 | O=C(C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1)N(Cc1ccccc1C(F)(F)F)C1CCC1 | 10.1021/jm500995y | ||
| CHEMBL3329760 | 233244 | 0 | None | None | None | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 520 | 6 | 1 | 4 | 4.6 | O=C(C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1)N(Cc1ccccc1C(F)(F)F)C1CCC1 | 10.1021/jm500995y | ||
| 44158221 | 336633 | 0 | None | 3 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 389 | 3 | 0 | 3 | 4.3 | O=C1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1021/jm900286j | ||
| CHEMBL447265 | 336633 | 0 | None | 3 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 389 | 3 | 0 | 3 | 4.3 | O=C1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1021/jm900286j | ||
| 44157243 | 370729 | 0 | None | None | None | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 405 | 4 | 0 | 4 | 4.2 | O=C1C(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1021/jm900286j | ||
| CHEMBL494190 | 370729 | 0 | None | None | None | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 405 | 4 | 0 | 4 | 4.2 | O=C1C(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1021/jm900286j | ||
| 187 | 524 | 25 | None | -1 | 5 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2015.08.011 | ||
| 294 | 524 | 25 | None | -1 | 5 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2015.08.011 | ||
| 65 | 524 | 25 | None | -1 | 5 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2015.08.011 | ||
| CHEMBL667 | 524 | 25 | None | -1 | 5 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2015.08.011 | ||
| DB03128 | 524 | 25 | None | -1 | 5 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2015.08.011 | ||
| 42598591 | 39967 | 0 | None | -39 | 5 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 384 | 5 | 0 | 3 | 4.5 | CCCO[C@H]1CC[C@](C)(N2CCC(N3C(=O)Cc4ccc(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| CHEMBL1223803 | 39967 | 0 | None | -39 | 5 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 384 | 5 | 0 | 3 | 4.5 | CCCO[C@H]1CC[C@](C)(N2CCC(N3C(=O)Cc4ccc(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| 42599070 | 39968 | 0 | None | -50 | 5 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 370 | 4 | 0 | 3 | 4.1 | CCO[C@H]1CC[C@](C)(N2CCC(N3C(=O)Cc4ccc(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| CHEMBL1223804 | 39968 | 0 | None | -50 | 5 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 370 | 4 | 0 | 3 | 4.1 | CCO[C@H]1CC[C@](C)(N2CCC(N3C(=O)Cc4ccc(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| 71737672 | 5240 | 27 | None | 3 | 6 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 494 | 6 | 1 | 4 | 4.0 | CCN(C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2c(c1)cn[nH]2)Cc1ccccc1C(F)(F)F | 10.1021/jm500995y | ||
| 8687 | 5240 | 27 | None | 3 | 6 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 494 | 6 | 1 | 4 | 4.0 | CCN(C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2c(c1)cn[nH]2)Cc1ccccc1C(F)(F)F | 10.1021/jm500995y | ||
| CHEMBL3329755 | 5240 | 27 | None | 3 | 6 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 494 | 6 | 1 | 4 | 4.0 | CCN(C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2c(c1)cn[nH]2)Cc1ccccc1C(F)(F)F | 10.1021/jm500995y | ||
| 44602489 | 462933 | 0 | None | None | None | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 413 | 5 | 0 | 4 | 5.1 | O=C1C(=O)N(Cc2ccc(Oc3ccccc3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2009.11.089 | ||
| CHEMBL604482 | 462933 | 0 | None | None | None | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 413 | 5 | 0 | 4 | 5.1 | O=C1C(=O)N(Cc2ccc(Oc3ccccc3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2009.11.089 | ||
| 44157160 | 352686 | 2 | None | 2 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 333 | 2 | 0 | 2 | 3.3 | O=C1C(=O)N(Cc2ccc(Br)cc2)c2c(F)cccc21 | 10.1021/jm900286j | ||
| CHEMBL468925 | 352686 | 2 | None | 2 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 333 | 2 | 0 | 2 | 3.3 | O=C1C(=O)N(Cc2ccc(Br)cc2)c2c(F)cccc21 | 10.1021/jm900286j | ||
| 71737672 | 5240 | 27 | None | 3 | 6 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 494 | 6 | 1 | 4 | 4.0 | CCN(C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2c(c1)cn[nH]2)Cc1ccccc1C(F)(F)F | 10.1021/jm500995y | ||
| 8687 | 5240 | 27 | None | 3 | 6 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 494 | 6 | 1 | 4 | 4.0 | CCN(C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2c(c1)cn[nH]2)Cc1ccccc1C(F)(F)F | 10.1021/jm500995y | ||
| CHEMBL3329755 | 5240 | 27 | None | 3 | 6 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 494 | 6 | 1 | 4 | 4.0 | CCN(C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2c(c1)cn[nH]2)Cc1ccccc1C(F)(F)F | 10.1021/jm500995y | ||
| 178317239 | 466428 | 0 | None | None | None | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 439 | 4 | 0 | 6 | 3.4 | CCOC(=O)N1CC2(CC[C@@H](N3CCN(c4cccnc4-c4ccc(F)nc4)CC3)C2)C1 | 10.1021/acsmedchemlett.4c00512 | ||
| CHEMBL6145319 | 466428 | 0 | None | None | None | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 439 | 4 | 0 | 6 | 3.4 | CCOC(=O)N1CC2(CC[C@@H](N3CCN(c4cccnc4-c4ccc(F)nc4)CC3)C2)C1 | 10.1021/acsmedchemlett.4c00512 | ||
| 178305374 | 467385 | 0 | None | None | None | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 455 | 4 | 1 | 6 | 2.7 | CCOC(=O)N1CC2(CC[C@@H](N3CCN(c4cc(F)cnc4-c4ccc(=O)[nH]c4)CC3)C2)C1 | 10.1021/acsmedchemlett.4c00512 | ||
| CHEMBL6175038 | 467385 | 0 | None | None | None | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 455 | 4 | 1 | 6 | 2.7 | CCOC(=O)N1CC2(CC[C@@H](N3CCN(c4cc(F)cnc4-c4ccc(=O)[nH]c4)CC3)C2)C1 | 10.1021/acsmedchemlett.4c00512 | ||
| 44158142 | 371861 | 46 | None | 1 | 4 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 339 | 2 | 0 | 2 | 4.1 | O=C1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2c(Cl)cccc21 | 10.1016/j.bmcl.2009.11.089 | ||
| CHEMBL503735 | 371861 | 46 | None | 1 | 4 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 339 | 2 | 0 | 2 | 4.1 | O=C1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2c(Cl)cccc21 | 10.1016/j.bmcl.2009.11.089 | ||
| 52947457 | 41270 | 0 | None | None | None | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 399 | 4 | 0 | 5 | 3.8 | O=C1C(=O)N(Cc2ccc(-c3cncnc3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2010.08.042 | ||
| CHEMBL1257498 | 41270 | 0 | None | None | None | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 399 | 4 | 0 | 5 | 3.8 | O=C1C(=O)N(Cc2ccc(-c3cncnc3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2010.08.042 | ||
| 71737647 | 233232 | 0 | None | None | None | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 444 | 6 | 1 | 4 | 3.2 | CCN(Cc1ccccc1F)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329744 | 233232 | 0 | None | None | None | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 444 | 6 | 1 | 4 | 3.2 | CCN(Cc1ccccc1F)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| 44158142 | 371861 | 46 | None | 1 | 4 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 339 | 2 | 0 | 2 | 4.1 | O=C1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2c(Cl)cccc21 | 10.1021/jm900286j | ||
| CHEMBL503735 | 371861 | 46 | None | 1 | 4 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 339 | 2 | 0 | 2 | 4.1 | O=C1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2c(Cl)cccc21 | 10.1021/jm900286j | ||
| 71737647 | 233232 | 0 | None | None | None | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 444 | 6 | 1 | 4 | 3.2 | CCN(Cc1ccccc1F)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329744 | 233232 | 0 | None | None | None | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 444 | 6 | 1 | 4 | 3.2 | CCN(Cc1ccccc1F)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| 46945864 | 41445 | 0 | None | None | None | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 444 | 6 | 0 | 6 | 4.5 | COc1cccc(Oc2ccc(CN3C(=O)C(=O)c4cc(OC(F)(F)F)ccc43)cc2)n1 | 10.1016/j.bmcl.2010.08.042 | ||
| CHEMBL1258090 | 41445 | 0 | None | None | None | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 444 | 6 | 0 | 6 | 4.5 | COc1cccc(Oc2ccc(CN3C(=O)C(=O)c4cc(OC(F)(F)F)ccc43)cc2)n1 | 10.1016/j.bmcl.2010.08.042 | ||
| 71737606 | 233220 | 0 | None | None | None | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 426 | 6 | 0 | 4 | 3.9 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc3occc3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329729 | 233220 | 0 | None | None | None | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 426 | 6 | 0 | 4 | 3.9 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc3occc3c2)CC1 | 10.1021/jm500995y | ||
| 52950176 | 41271 | 0 | None | None | None | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 356 | 3 | 0 | 4 | 3.4 | O=C1C(=O)N(Cc2ccc(Cl)nc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2010.08.042 | ||
| CHEMBL1257499 | 41271 | 0 | None | None | None | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 356 | 3 | 0 | 4 | 3.4 | O=C1C(=O)N(Cc2ccc(Cl)nc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2010.08.042 | ||
| 71737606 | 233220 | 0 | None | None | None | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 426 | 6 | 0 | 4 | 3.9 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc3occc3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329729 | 233220 | 0 | None | None | None | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 426 | 6 | 0 | 4 | 3.9 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc3occc3c2)CC1 | 10.1021/jm500995y | ||
| 25010776 | 118771 | 1 | None | -11 | 4 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 333 | 6 | 2 | 4 | 1.9 | CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2C)CC1 | nan | ||
| CHEMBL1624037 | 118771 | 1 | None | -11 | 4 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 333 | 6 | 2 | 4 | 1.9 | CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2C)CC1 | nan | ||
| 71737645 | 233234 | 0 | None | None | None | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 456 | 7 | 1 | 5 | 3.0 | CCN(Cc1cccc(OC)c1)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329746 | 233234 | 0 | None | None | None | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 456 | 7 | 1 | 5 | 3.0 | CCN(Cc1cccc(OC)c1)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| 71737645 | 233234 | 0 | None | None | None | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 456 | 7 | 1 | 5 | 3.0 | CCN(Cc1cccc(OC)c1)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329746 | 233234 | 0 | None | None | None | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 456 | 7 | 1 | 5 | 3.0 | CCN(Cc1cccc(OC)c1)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| 45281794 | 433170 | 47 | None | None | None | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 397 | 4 | 0 | 3 | 5.0 | O=C1C(=O)N(Cc2ccc(-c3ccccc3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2009.11.089 | ||
| CHEMBL593506 | 433170 | 47 | None | None | None | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 397 | 4 | 0 | 3 | 5.0 | O=C1C(=O)N(Cc2ccc(-c3ccccc3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2009.11.089 | ||
| 45281808 | 444967 | 0 | None | None | None | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 397 | 4 | 0 | 3 | 5.0 | O=C1C(=O)N(Cc2ccc(-c3ccccc3)cc2)c2cc(OC(F)(F)F)ccc21 | 10.1016/j.bmcl.2009.11.089 | ||
| CHEMBL595628 | 444967 | 0 | None | None | None | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 397 | 4 | 0 | 3 | 5.0 | O=C1C(=O)N(Cc2ccc(-c3ccccc3)cc2)c2cc(OC(F)(F)F)ccc21 | 10.1016/j.bmcl.2009.11.089 | ||
| 45281797 | 461919 | 0 | None | None | None | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 403 | 4 | 0 | 4 | 5.0 | O=C1C(=O)N(Cc2ccc(-c3ccsc3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2009.11.089 | ||
| CHEMBL603445 | 461919 | 0 | None | None | None | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 403 | 4 | 0 | 4 | 5.0 | O=C1C(=O)N(Cc2ccc(-c3ccsc3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2009.11.089 | ||
| 76313419 | 203310 | 0 | None | -69 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 345 | 6 | 2 | 4 | 1.9 | CCOC(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2NCCNC(=O)c1ccccc1 | 10.1016/j.bmcl.2012.03.088 | ||
| CHEMBL3084447 | 203310 | 0 | None | -69 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 345 | 6 | 2 | 4 | 1.9 | CCOC(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2NCCNC(=O)c1ccccc1 | 10.1016/j.bmcl.2012.03.088 | ||
| 52949833 | 41231 | 0 | None | None | None | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 398 | 4 | 0 | 4 | 4.4 | O=C1C(=O)N(Cc2ccc(-c3ccncc3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2010.08.042 | ||
| CHEMBL1257389 | 41231 | 0 | None | None | None | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 398 | 4 | 0 | 4 | 4.4 | O=C1C(=O)N(Cc2ccc(-c3ccncc3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2010.08.042 | ||
| 46945865 | 41446 | 0 | None | None | None | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 420 | 5 | 0 | 6 | 4.6 | O=C1C(=O)N(Cc2ccc(Oc3nccs3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2010.08.042 | ||
| CHEMBL1258091 | 41446 | 0 | None | None | None | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 420 | 5 | 0 | 6 | 4.6 | O=C1C(=O)N(Cc2ccc(Oc3nccs3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2010.08.042 | ||
| 71771054 | 233223 | 0 | None | None | None | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 444 | 6 | 0 | 6 | 3.1 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc3nsnc3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329732 | 233223 | 0 | None | None | None | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 444 | 6 | 0 | 6 | 3.1 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc3nsnc3c2)CC1 | 10.1021/jm500995y | ||
| 71771054 | 233223 | 0 | None | None | None | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 444 | 6 | 0 | 6 | 3.1 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc3nsnc3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329732 | 233223 | 0 | None | None | None | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 444 | 6 | 0 | 6 | 3.1 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc3nsnc3c2)CC1 | 10.1021/jm500995y | ||
| 71737574 | 233219 | 0 | None | None | None | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 416 | 7 | 0 | 4 | 3.1 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2cccc(OC)c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329717 | 233219 | 0 | None | None | None | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 416 | 7 | 0 | 4 | 3.1 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2cccc(OC)c2)CC1 | 10.1021/jm500995y | ||
| 3652 | 8876 | 57 | None | -19 | 7 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/acsmedchemlett.3c00331 | ||
| 57 | 8876 | 57 | None | -19 | 7 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/acsmedchemlett.3c00331 | ||
| 60809 | 8876 | 57 | None | -19 | 7 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/acsmedchemlett.3c00331 | ||
| CHEMBL21536 | 8876 | 57 | None | -19 | 7 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/acsmedchemlett.3c00331 | ||
| DB15357 | 8876 | 57 | None | -19 | 7 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/acsmedchemlett.3c00331 | ||
| 52941424 | 41310 | 0 | None | None | None | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 398 | 4 | 0 | 4 | 4.4 | O=C1C(=O)N(Cc2ccc(-c3ccccc3)cn2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2010.08.042 | ||
| CHEMBL1257619 | 41310 | 0 | None | None | None | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 398 | 4 | 0 | 4 | 4.4 | O=C1C(=O)N(Cc2ccc(-c3ccccc3)cn2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2010.08.042 | ||
| 71737574 | 233219 | 0 | None | None | None | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 416 | 7 | 0 | 4 | 3.1 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2cccc(OC)c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329717 | 233219 | 0 | None | None | None | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 416 | 7 | 0 | 4 | 3.1 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2cccc(OC)c2)CC1 | 10.1021/jm500995y | ||
| 42599071 | 40014 | 0 | None | -125 | 5 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 450 | 6 | 0 | 7 | 3.8 | CCCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(S(C)(=O)=O)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| CHEMBL1223939 | 40014 | 0 | None | -125 | 5 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 450 | 6 | 0 | 7 | 3.8 | CCCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(S(C)(=O)=O)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| 10946670 | 372328 | 3 | None | 1 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 305 | 2 | 0 | 2 | 3.4 | O=C1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2ccccc21 | 10.1021/jm900286j | ||
| CHEMBL511206 | 372328 | 3 | None | 1 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 305 | 2 | 0 | 2 | 3.4 | O=C1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2ccccc21 | 10.1021/jm900286j | ||
| 52943684 | 41166 | 0 | None | None | None | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 365 | 3 | 0 | 5 | 3.0 | O=C1C(=O)N(Cc2ccc3c(c2)OCO3)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2010.08.042 | ||
| CHEMBL1257151 | 41166 | 0 | None | None | None | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 365 | 3 | 0 | 5 | 3.0 | O=C1C(=O)N(Cc2ccc3c(c2)OCO3)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2010.08.042 | ||
| 46945664 | 41411 | 0 | None | None | None | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 414 | 5 | 0 | 5 | 4.5 | O=C1C(=O)N(Cc2ccc(Oc3ccccn3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2010.08.042 | ||
| CHEMBL1257974 | 41411 | 0 | None | None | None | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 414 | 5 | 0 | 5 | 4.5 | O=C1C(=O)N(Cc2ccc(Oc3ccccn3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2010.08.042 | ||
| 44158139 | 352614 | 0 | None | 1 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 323 | 2 | 0 | 2 | 3.6 | O=C1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2c(F)cccc21 | 10.1021/jm900286j | ||
| CHEMBL468290 | 352614 | 0 | None | 1 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 323 | 2 | 0 | 2 | 3.6 | O=C1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2c(F)cccc21 | 10.1021/jm900286j | ||
| 44158003 | 371989 | 0 | None | None | None | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 335 | 3 | 0 | 3 | 3.6 | Cc1ccccc1CN1C(=O)C(=O)c2cc(OC(F)(F)F)ccc21 | 10.1021/jm900286j | ||
| CHEMBL506043 | 371989 | 0 | None | None | None | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 335 | 3 | 0 | 3 | 3.6 | Cc1ccccc1CN1C(=O)C(=O)c2cc(OC(F)(F)F)ccc21 | 10.1021/jm900286j | ||
| 45281803 | 445779 | 0 | None | None | None | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 401 | 4 | 0 | 5 | 3.7 | Cn1cc(-c2ccc(CN3C(=O)C(=O)c4cc(OC(F)(F)F)ccc43)cc2)cn1 | 10.1016/j.bmcl.2009.11.089 | ||
| CHEMBL596510 | 445779 | 0 | None | None | None | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 401 | 4 | 0 | 5 | 3.7 | Cn1cc(-c2ccc(CN3C(=O)C(=O)c4cc(OC(F)(F)F)ccc43)cc2)cn1 | 10.1016/j.bmcl.2009.11.089 | ||
| 26415265 | 233218 | 0 | None | None | None | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 416 | 7 | 0 | 4 | 3.1 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329716 | 233218 | 0 | None | None | None | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 416 | 7 | 0 | 4 | 3.1 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 | 10.1021/jm500995y | ||
| 26415265 | 233218 | 0 | None | None | None | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 416 | 7 | 0 | 4 | 3.1 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329716 | 233218 | 0 | None | None | None | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 416 | 7 | 0 | 4 | 3.1 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 | 10.1021/jm500995y | ||
| 44589681 | 368585 | 0 | None | -3 | 5 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 387 | 5 | 2 | 6 | 1.5 | NC(=O)OCCN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2008.09.032 | ||
| CHEMBL485913 | 368585 | 0 | None | -3 | 5 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 387 | 5 | 2 | 6 | 1.5 | NC(=O)OCCN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2008.09.032 | ||
| 22745278 | 370315 | 1 | None | -16 | 5 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 372 | 3 | 1 | 5 | 2.6 | CCOC(=O)N1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2008.09.023 | ||
| CHEMBL491209 | 370315 | 1 | None | -16 | 5 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 372 | 3 | 1 | 5 | 2.6 | CCOC(=O)N1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2008.09.023 | ||
| 71737709 | 233241 | 0 | None | None | None | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 460 | 6 | 1 | 4 | 3.7 | CCN(Cc1ccccc1Cl)C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329754 | 233241 | 0 | None | None | None | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 460 | 6 | 1 | 4 | 3.7 | CCN(Cc1ccccc1Cl)C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1 | 10.1021/jm500995y | ||
| 71737709 | 233241 | 0 | None | None | None | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 460 | 6 | 1 | 4 | 3.7 | CCN(Cc1ccccc1Cl)C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329754 | 233241 | 0 | None | None | None | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 460 | 6 | 1 | 4 | 3.7 | CCN(Cc1ccccc1Cl)C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1 | 10.1021/jm500995y | ||
| 45281801 | 445777 | 0 | None | None | None | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 416 | 4 | 0 | 4 | 4.5 | O=C1C(=O)N(Cc2ccc(-c3ccc(F)nc3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2009.11.089 | ||
| CHEMBL596509 | 445777 | 0 | None | None | None | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 416 | 4 | 0 | 4 | 4.5 | O=C1C(=O)N(Cc2ccc(-c3ccc(F)nc3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2009.11.089 | ||
| 53385782 | 155989 | 0 | None | -117 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 399 | 4 | 1 | 4 | 3.3 | CCOC(=O)N1C2CCC1CC(N1CCC[C@@H](NC(=O)c3ccccc3C)C1)C2 | 10.1016/j.bmcl.2012.03.088 | ||
| CHEMBL2024331 | 155989 | 0 | None | -117 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 399 | 4 | 1 | 4 | 3.3 | CCOC(=O)N1C2CCC1CC(N1CCC[C@@H](NC(=O)c3ccccc3C)C1)C2 | 10.1016/j.bmcl.2012.03.088 | ||
| 46945662 | 41348 | 0 | None | None | None | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 398 | 4 | 0 | 4 | 4.4 | O=C1C(=O)N(Cc2ccc(-c3ccccc3)nc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2010.08.042 | ||
| CHEMBL1257741 | 41348 | 0 | None | None | None | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 398 | 4 | 0 | 4 | 4.4 | O=C1C(=O)N(Cc2ccc(-c3ccccc3)nc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2010.08.042 | ||
| 45281796 | 444760 | 0 | None | None | None | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 427 | 5 | 0 | 4 | 5.0 | COc1ccccc1-c1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc32)cc1 | 10.1016/j.bmcl.2009.11.089 | ||
| CHEMBL595403 | 444760 | 0 | None | None | None | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 427 | 5 | 0 | 4 | 5.0 | COc1ccccc1-c1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc32)cc1 | 10.1016/j.bmcl.2009.11.089 | ||
| 44157241 | 372338 | 2 | None | 1 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 301 | 3 | 0 | 3 | 3.1 | COc1ccc(CN2C(=O)C(=O)c3cccc(Cl)c32)cc1 | 10.1021/jm900286j | ||
| CHEMBL511254 | 372338 | 2 | None | 1 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 301 | 3 | 0 | 3 | 3.1 | COc1ccc(CN2C(=O)C(=O)c3cccc(Cl)c32)cc1 | 10.1021/jm900286j | ||
| 42598829 | 39970 | 0 | None | -50 | 5 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 358 | 3 | 0 | 5 | 3.9 | CO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| CHEMBL1223806 | 39970 | 0 | None | -50 | 5 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 358 | 3 | 0 | 5 | 3.9 | CO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| 42598357 | 39995 | 0 | None | -125 | 5 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 383 | 4 | 0 | 6 | 3.8 | CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(C#N)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| CHEMBL1223863 | 39995 | 0 | None | -125 | 5 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 383 | 4 | 0 | 6 | 3.8 | CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(C#N)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| 52949292 | 41382 | 0 | None | None | None | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 399 | 4 | 0 | 5 | 3.8 | O=C1C(=O)N(Cc2ccc(-c3cccnc3)nc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2010.08.042 | ||
| CHEMBL1257862 | 41382 | 0 | None | None | None | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 399 | 4 | 0 | 5 | 3.8 | O=C1C(=O)N(Cc2ccc(-c3cccnc3)nc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2010.08.042 | ||
| 44157714 | 372551 | 0 | None | None | None | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 355 | 3 | 0 | 3 | 4.0 | O=C1C(=O)N(Cc2ccccc2Cl)c2ccc(OC(F)(F)F)cc21 | 10.1021/jm900286j | ||
| CHEMBL513299 | 372551 | 0 | None | None | None | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 355 | 3 | 0 | 3 | 4.0 | O=C1C(=O)N(Cc2ccccc2Cl)c2ccc(OC(F)(F)F)cc21 | 10.1021/jm900286j | ||
| 3008304 | 8723 | 53 | None | 1 | 4 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 315 | 2 | 0 | 2 | 3.2 | Brc1ccc(cc1)CN1c2ccccc2C(=O)C1=O | 10.1021/jm900286j | ||
| 7632 | 8723 | 53 | None | 1 | 4 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 315 | 2 | 0 | 2 | 3.2 | Brc1ccc(cc1)CN1c2ccccc2C(=O)C1=O | 10.1021/jm900286j | ||
| CHEMBL523685 | 8723 | 53 | None | 1 | 4 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 315 | 2 | 0 | 2 | 3.2 | Brc1ccc(cc1)CN1c2ccccc2C(=O)C1=O | 10.1021/jm900286j | ||
| 44158077 | 352508 | 1 | None | 1 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 323 | 2 | 0 | 2 | 3.6 | O=C1C(=O)N(Cc2ccccc2C(F)(F)F)c2ccc(F)cc21 | 10.1021/jm900286j | ||
| CHEMBL467281 | 352508 | 1 | None | 1 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 323 | 2 | 0 | 2 | 3.6 | O=C1C(=O)N(Cc2ccccc2C(F)(F)F)c2ccc(F)cc21 | 10.1021/jm900286j | ||
| 3008304 | 8723 | 53 | None | 1 | 4 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 315 | 2 | 0 | 2 | 3.2 | Brc1ccc(cc1)CN1c2ccccc2C(=O)C1=O | 10.1016/j.bmcl.2009.11.089 | ||
| 7632 | 8723 | 53 | None | 1 | 4 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 315 | 2 | 0 | 2 | 3.2 | Brc1ccc(cc1)CN1c2ccccc2C(=O)C1=O | 10.1016/j.bmcl.2009.11.089 | ||
| CHEMBL523685 | 8723 | 53 | None | 1 | 4 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 315 | 2 | 0 | 2 | 3.2 | Brc1ccc(cc1)CN1c2ccccc2C(=O)C1=O | 10.1016/j.bmcl.2009.11.089 | ||
| 76324306 | 203312 | 0 | None | -61 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 379 | 6 | 2 | 4 | 2.5 | CCOC(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2NCCNC(=O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2012.03.088 | ||
| CHEMBL3084449 | 203312 | 0 | None | -61 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 379 | 6 | 2 | 4 | 2.5 | CCOC(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2NCCNC(=O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2012.03.088 | ||
| 71792 | 159969 | 34 | None | 1 | 5 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 165 | 2 | 0 | 2 | 0.7 | C#CCO[C@H]1CN2CCC1CC2 | 10.1016/j.bmcl.2015.08.011 | ||
| CHEMBL2111051 | 159969 | 34 | None | 1 | 5 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 165 | 2 | 0 | 2 | 0.7 | C#CCO[C@H]1CN2CCC1CC2 | 10.1016/j.bmcl.2015.08.011 | ||
| DB12287 | 159969 | 34 | None | 1 | 5 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 165 | 2 | 0 | 2 | 0.7 | C#CCO[C@H]1CN2CCC1CC2 | 10.1016/j.bmcl.2015.08.011 | ||
| 52941977 | 41383 | 0 | None | None | None | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 399 | 4 | 0 | 5 | 3.8 | O=C1C(=O)N(Cc2ccc(-c3ccncc3)nc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2010.08.042 | ||
| CHEMBL1257863 | 41383 | 0 | None | None | None | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 399 | 4 | 0 | 5 | 3.8 | O=C1C(=O)N(Cc2ccc(-c3ccncc3)nc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2010.08.042 | ||
| 3008304 | 8723 | 53 | None | 1 | 4 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 315 | 2 | 0 | 2 | 3.2 | Brc1ccc(cc1)CN1c2ccccc2C(=O)C1=O | 10.1016/j.bmcl.2010.08.042 | ||
| 7632 | 8723 | 53 | None | 1 | 4 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 315 | 2 | 0 | 2 | 3.2 | Brc1ccc(cc1)CN1c2ccccc2C(=O)C1=O | 10.1016/j.bmcl.2010.08.042 | ||
| CHEMBL523685 | 8723 | 53 | None | 1 | 4 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 315 | 2 | 0 | 2 | 3.2 | Brc1ccc(cc1)CN1c2ccccc2C(=O)C1=O | 10.1016/j.bmcl.2010.08.042 | ||
| 13248082 | 370854 | 3 | None | 1 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 367 | 2 | 0 | 2 | 4.0 | O=C1C(=O)N(Cc2ccc(Br)cc2F)c2c(Cl)cccc21 | 10.1021/jm900286j | ||
| CHEMBL494846 | 370854 | 3 | None | 1 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 367 | 2 | 0 | 2 | 4.0 | O=C1C(=O)N(Cc2ccc(Br)cc2F)c2c(Cl)cccc21 | 10.1021/jm900286j | ||
| 644390 | 83845 | 1 | None | -1 | 4 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 353 | 6 | 2 | 4 | 2.3 | CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2Cl)CC1 | nan | ||
| CHEMBL1482157 | 83845 | 1 | None | -1 | 4 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 353 | 6 | 2 | 4 | 2.3 | CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2Cl)CC1 | nan | ||
| 71737648 | 233239 | 0 | None | None | None | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 494 | 6 | 1 | 4 | 4.0 | CCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329751 | 233239 | 0 | None | None | None | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 494 | 6 | 1 | 4 | 4.0 | CCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| 71737648 | 233239 | 0 | None | None | None | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 494 | 6 | 1 | 4 | 4.0 | CCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329751 | 233239 | 0 | None | None | None | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 494 | 6 | 1 | 4 | 4.0 | CCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| 45281798 | 445568 | 0 | None | None | None | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 432 | 4 | 0 | 4 | 5.0 | O=C1C(=O)N(Cc2ccc(-c3ccc(Cl)nc3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2009.11.089 | ||
| CHEMBL596289 | 445568 | 0 | None | None | None | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 432 | 4 | 0 | 4 | 5.0 | O=C1C(=O)N(Cc2ccc(-c3ccc(Cl)nc3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2009.11.089 | ||
| 42598358 | 39992 | 0 | None | -50 | 5 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 390 | 4 | 0 | 5 | 4.4 | CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4cc(F)c(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| CHEMBL1223860 | 39992 | 0 | None | -50 | 5 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 390 | 4 | 0 | 5 | 4.4 | CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4cc(F)c(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| 42598586 | 40013 | 0 | None | -25 | 4 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 450 | 6 | 0 | 7 | 3.8 | CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(S(=O)(=O)CC)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| CHEMBL1223938 | 40013 | 0 | None | -25 | 4 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 450 | 6 | 0 | 7 | 3.8 | CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(S(=O)(=O)CC)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| 71737683 | 233240 | 0 | None | None | None | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 494 | 6 | 1 | 4 | 4.0 | CCN(Cc1cccc(C(F)(F)F)c1)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329752 | 233240 | 0 | None | None | None | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 494 | 6 | 1 | 4 | 4.0 | CCN(Cc1cccc(C(F)(F)F)c1)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| 71737683 | 233240 | 0 | None | None | None | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 494 | 6 | 1 | 4 | 4.0 | CCN(Cc1cccc(C(F)(F)F)c1)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329752 | 233240 | 0 | None | None | None | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 494 | 6 | 1 | 4 | 4.0 | CCN(Cc1cccc(C(F)(F)F)c1)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| 45281807 | 444761 | 0 | None | None | None | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(CN2C(=O)C(=O)c3ccc(OC(F)(F)F)cc32)cc1 | 10.1016/j.bmcl.2009.11.089 | ||
| CHEMBL595404 | 444761 | 0 | None | None | None | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(CN2C(=O)C(=O)c3ccc(OC(F)(F)F)cc32)cc1 | 10.1016/j.bmcl.2009.11.089 | ||
| 52940924 | 41017 | 0 | None | None | None | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 415 | 4 | 0 | 3 | 5.1 | O=C1C(=O)N(Cc2ccc(-c3ccccc3)cc2F)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2010.08.042 | ||
| CHEMBL1255607 | 41017 | 0 | None | None | None | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 415 | 4 | 0 | 3 | 5.1 | O=C1C(=O)N(Cc2ccc(-c3ccccc3)cc2F)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2010.08.042 | ||
| 168797519 | 392394 | 0 | None | None | None | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 395 | 3 | 0 | 7 | 2.5 | Cc1ncc(S(=O)(=O)N2CCC(c3cn4ncnc4c(F)c3C)CC2)s1 | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5595551 | 392394 | 0 | None | None | None | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 395 | 3 | 0 | 7 | 2.5 | Cc1ncc(S(=O)(=O)N2CCC(c3cn4ncnc4c(F)c3C)CC2)s1 | 10.1021/acs.jmedchem.4c01193 | ||
| 71737672 | 5240 | 27 | None | -3 | 6 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 494 | 6 | 1 | 4 | 4.0 | CCN(C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2c(c1)cn[nH]2)Cc1ccccc1C(F)(F)F | 10.1021/jm500995y | ||
| 8687 | 5240 | 27 | None | -3 | 6 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 494 | 6 | 1 | 4 | 4.0 | CCN(C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2c(c1)cn[nH]2)Cc1ccccc1C(F)(F)F | 10.1021/jm500995y | ||
| CHEMBL3329755 | 5240 | 27 | None | -3 | 6 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 494 | 6 | 1 | 4 | 4.0 | CCN(C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2c(c1)cn[nH]2)Cc1ccccc1C(F)(F)F | 10.1021/jm500995y | ||
| 26415263 | 233217 | 1 | None | None | None | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 386 | 6 | 0 | 3 | 3.1 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329715 | 233217 | 1 | None | None | None | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 386 | 6 | 0 | 3 | 3.1 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 | 10.1021/jm500995y | ||
| 26415263 | 233217 | 1 | None | None | None | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 386 | 6 | 0 | 3 | 3.1 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329715 | 233217 | 1 | None | None | None | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 386 | 6 | 0 | 3 | 3.1 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 | 10.1021/jm500995y | ||
| 187 | 524 | 25 | None | -1 | 5 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm0102405 | ||
| 294 | 524 | 25 | None | -1 | 5 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm0102405 | ||
| 65 | 524 | 25 | None | -1 | 5 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm0102405 | ||
| CHEMBL667 | 524 | 25 | None | -1 | 5 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm0102405 | ||
| DB03128 | 524 | 25 | None | -1 | 5 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm0102405 | ||
| 44418764 | 163587 | 0 | None | -2 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 487 | 16 | 0 | 13 | 1.8 | COc1nsc(OCCOCCOCCOCCOc2nsnc2C2C=CCCN2C)n1 | 10.1021/jm0606995 | ||
| CHEMBL216928 | 163587 | 0 | None | -2 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 487 | 16 | 0 | 13 | 1.8 | COc1nsc(OCCOCCOCCOCCOc2nsnc2C2C=CCCN2C)n1 | 10.1021/jm0606995 | ||
| 71737675 | 233238 | 0 | None | None | None | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 460 | 6 | 1 | 4 | 3.7 | CCN(Cc1ccccc1Cl)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329750 | 233238 | 0 | None | None | None | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 460 | 6 | 1 | 4 | 3.7 | CCN(Cc1ccccc1Cl)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| 71737675 | 233238 | 0 | None | None | None | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 460 | 6 | 1 | 4 | 3.7 | CCN(Cc1ccccc1Cl)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329750 | 233238 | 0 | None | None | None | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 460 | 6 | 1 | 4 | 3.7 | CCN(Cc1ccccc1Cl)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| 650899 | 117263 | 6 | None | -23 | 5 | Human | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 319 | 6 | 2 | 4 | 1.6 | CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2)CC1 | nan | ||
| CHEMBL1609153 | 117263 | 6 | None | -23 | 5 | Human | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 319 | 6 | 2 | 4 | 1.6 | CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2)CC1 | nan | ||
| 11056389 | 372520 | 0 | None | 1 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 323 | 2 | 0 | 2 | 3.6 | O=C1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2ccc(F)cc21 | 10.1021/jm900286j | ||
| CHEMBL512977 | 372520 | 0 | None | 1 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 323 | 2 | 0 | 2 | 3.6 | O=C1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2ccc(F)cc21 | 10.1021/jm900286j | ||
| 44158005 | 372555 | 0 | None | None | None | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 335 | 3 | 0 | 3 | 3.7 | COc1cccc(CN2C(=O)C(=O)c3c(Cl)ccc(Cl)c32)c1 | 10.1021/jm900286j | ||
| CHEMBL513311 | 372555 | 0 | None | None | None | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 335 | 3 | 0 | 3 | 3.7 | COc1cccc(CN2C(=O)C(=O)c3c(Cl)ccc(Cl)c32)c1 | 10.1021/jm900286j | ||
| 71737624 | 233228 | 0 | None | None | None | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 440 | 6 | 0 | 3 | 4.2 | CCN(C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)[C@H](C)c1ccccc1 | 10.1021/jm500995y | ||
| CHEMBL3329739 | 233228 | 0 | None | None | None | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 440 | 6 | 0 | 3 | 4.2 | CCN(C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)[C@H](C)c1ccccc1 | 10.1021/jm500995y | ||
| 71737624 | 233228 | 0 | None | None | None | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 440 | 6 | 0 | 3 | 4.2 | CCN(C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)[C@H](C)c1ccccc1 | 10.1021/jm500995y | ||
| CHEMBL3329739 | 233228 | 0 | None | None | None | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 440 | 6 | 0 | 3 | 4.2 | CCN(C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)[C@H](C)c1ccccc1 | 10.1021/jm500995y | ||
| 71737617 | 233230 | 0 | None | None | None | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 440 | 6 | 1 | 4 | 3.6 | CCN(C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1)[C@H](C)c1ccccc1 | 10.1021/jm500995y | ||
| CHEMBL3329741 | 233230 | 0 | None | None | None | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 440 | 6 | 1 | 4 | 3.6 | CCN(C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1)[C@H](C)c1ccccc1 | 10.1021/jm500995y | ||
| 71737760 | 233224 | 0 | None | None | None | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 430 | 6 | 0 | 5 | 2.9 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCO3)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329734 | 233224 | 0 | None | None | None | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 430 | 6 | 0 | 5 | 2.9 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCO3)CC1 | 10.1021/jm500995y | ||
| 71737617 | 233230 | 0 | None | None | None | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 440 | 6 | 1 | 4 | 3.6 | CCN(C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1)[C@H](C)c1ccccc1 | 10.1021/jm500995y | ||
| CHEMBL3329741 | 233230 | 0 | None | None | None | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 440 | 6 | 1 | 4 | 3.6 | CCN(C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1)[C@H](C)c1ccccc1 | 10.1021/jm500995y | ||
| 71737760 | 233224 | 0 | None | None | None | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 430 | 6 | 0 | 5 | 2.9 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCO3)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329734 | 233224 | 0 | None | None | None | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 430 | 6 | 0 | 5 | 2.9 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCO3)CC1 | 10.1021/jm500995y | ||
| 71737763 | 233237 | 0 | None | None | None | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 456 | 7 | 1 | 5 | 3.0 | CCN(Cc1ccccc1OC)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329749 | 233237 | 0 | None | None | None | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 456 | 7 | 1 | 5 | 3.0 | CCN(Cc1ccccc1OC)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| 71737618 | 233229 | 0 | None | None | None | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 440 | 6 | 1 | 4 | 3.6 | CCN(C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1)[C@H](C)c1ccccc1 | 10.1021/jm500995y | ||
| CHEMBL3329740 | 233229 | 0 | None | None | None | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 440 | 6 | 1 | 4 | 3.6 | CCN(C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1)[C@H](C)c1ccccc1 | 10.1021/jm500995y | ||
| 71737763 | 233237 | 0 | None | None | None | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 456 | 7 | 1 | 5 | 3.0 | CCN(Cc1ccccc1OC)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329749 | 233237 | 0 | None | None | None | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 456 | 7 | 1 | 5 | 3.0 | CCN(Cc1ccccc1OC)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| 71737618 | 233229 | 0 | None | None | None | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 440 | 6 | 1 | 4 | 3.6 | CCN(C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1)[C@H](C)c1ccccc1 | 10.1021/jm500995y | ||
| CHEMBL3329740 | 233229 | 0 | None | None | None | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 440 | 6 | 1 | 4 | 3.6 | CCN(C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1)[C@H](C)c1ccccc1 | 10.1021/jm500995y | ||
| 16071018 | 39944 | 15 | None | -125 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 333 | 2 | 1 | 4 | 2.6 | Cc1cc2c(cc1F)[nH]c(=O)n2C1CCN(C2CCOCC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| CHEMBL1223753 | 39944 | 15 | None | -125 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 333 | 2 | 1 | 4 | 2.6 | Cc1cc2c(cc1F)[nH]c(=O)n2C1CCN(C2CCOCC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| 16071018 | 39944 | 15 | None | -125 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 333 | 2 | 1 | 4 | 2.6 | Cc1cc2c(cc1F)[nH]c(=O)n2C1CCN(C2CCOCC2)CC1 | 10.1021/ml100105x | ||
| CHEMBL1223753 | 39944 | 15 | None | -125 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 333 | 2 | 1 | 4 | 2.6 | Cc1cc2c(cc1F)[nH]c(=O)n2C1CCN(C2CCOCC2)CC1 | 10.1021/ml100105x | ||
| 71737681 | 233235 | 0 | None | None | None | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 440 | 6 | 1 | 4 | 3.3 | CCN(Cc1cccc(C)c1)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329747 | 233235 | 0 | None | None | None | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 440 | 6 | 1 | 4 | 3.3 | CCN(Cc1cccc(C)c1)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| 71737677 | 233236 | 0 | None | None | None | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 440 | 6 | 1 | 4 | 3.3 | CCN(Cc1ccccc1C)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329748 | 233236 | 0 | None | None | None | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 440 | 6 | 1 | 4 | 3.3 | CCN(Cc1ccccc1C)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| 71737681 | 233235 | 0 | None | None | None | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 440 | 6 | 1 | 4 | 3.3 | CCN(Cc1cccc(C)c1)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329747 | 233235 | 0 | None | None | None | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 440 | 6 | 1 | 4 | 3.3 | CCN(Cc1cccc(C)c1)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| 71737677 | 233236 | 0 | None | None | None | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 440 | 6 | 1 | 4 | 3.3 | CCN(Cc1ccccc1C)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329748 | 233236 | 0 | None | None | None | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 440 | 6 | 1 | 4 | 3.3 | CCN(Cc1ccccc1C)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| 647412 | 60986 | 5 | None | -6 | 4 | Human | 4.1 | pEC50 | = | 4.1 | Functional | ChEMBL | 325 | 6 | 2 | 5 | 1.7 | CCOC(=O)N1CCC(NCCNC(=O)c2cccs2)CC1 | nan | ||
| CHEMBL1367424 | 60986 | 5 | None | -6 | 4 | Human | 4.1 | pEC50 | = | 4.1 | Functional | ChEMBL | 325 | 6 | 2 | 5 | 1.7 | CCOC(=O)N1CCC(NCCNC(=O)c2cccs2)CC1 | nan | ||
| 2551 | 1644 | 11 | None | -8 | 9 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0102405 | ||
| 298 | 1644 | 11 | None | -8 | 9 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0102405 | ||
| 488 | 1644 | 11 | None | -8 | 9 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0102405 | ||
| 5831 | 1644 | 11 | None | -8 | 9 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0102405 | ||
| CHEMBL965 | 1644 | 11 | None | -8 | 9 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0102405 | ||
| DB00411 | 1644 | 11 | None | -8 | 9 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0102405 | ||
| 71737619 | 233226 | 0 | None | None | None | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 440 | 6 | 0 | 4 | 4.4 | CCN(C(=O)C1CCN(S(=O)(=O)c2ccc3occc3c2)CC1)[C@H](C)c1ccccc1 | 10.1021/jm500995y | ||
| CHEMBL3329737 | 233226 | 0 | None | None | None | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 440 | 6 | 0 | 4 | 4.4 | CCN(C(=O)C1CCN(S(=O)(=O)c2ccc3occc3c2)CC1)[C@H](C)c1ccccc1 | 10.1021/jm500995y | ||
| 71737619 | 233226 | 0 | None | None | None | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 440 | 6 | 0 | 4 | 4.4 | CCN(C(=O)C1CCN(S(=O)(=O)c2ccc3occc3c2)CC1)[C@H](C)c1ccccc1 | 10.1021/jm500995y | ||
| CHEMBL3329737 | 233226 | 0 | None | None | None | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 440 | 6 | 0 | 4 | 4.4 | CCN(C(=O)C1CCN(S(=O)(=O)c2ccc3occc3c2)CC1)[C@H](C)c1ccccc1 | 10.1021/jm500995y | ||
| 71737602 | 233225 | 0 | None | None | None | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 430 | 7 | 0 | 4 | 3.7 | CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)[C@H](C)c1ccccc1 | 10.1021/jm500995y | ||
| CHEMBL3329736 | 233225 | 0 | None | None | None | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 430 | 7 | 0 | 4 | 3.7 | CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)[C@H](C)c1ccccc1 | 10.1021/jm500995y | ||
| 71737602 | 233225 | 0 | None | None | None | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 430 | 7 | 0 | 4 | 3.7 | CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)[C@H](C)c1ccccc1 | 10.1021/jm500995y | ||
| CHEMBL3329736 | 233225 | 0 | None | None | None | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 430 | 7 | 0 | 4 | 3.7 | CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)[C@H](C)c1ccccc1 | 10.1021/jm500995y | ||
| 2551 | 1644 | 11 | None | -18 | 5 | Human | 5.9 | pED50 | = | 5.9 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960683m | ||
| 298 | 1644 | 11 | None | -18 | 5 | Human | 5.9 | pED50 | = | 5.9 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960683m | ||
| 488 | 1644 | 11 | None | -18 | 5 | Human | 5.9 | pED50 | = | 5.9 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960683m | ||
| 5831 | 1644 | 11 | None | -18 | 5 | Human | 5.9 | pED50 | = | 5.9 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960683m | ||
| CHEMBL965 | 1644 | 11 | None | -18 | 5 | Human | 5.9 | pED50 | = | 5.9 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960683m | ||
| DB00411 | 1644 | 11 | None | -18 | 5 | Human | 5.9 | pED50 | = | 5.9 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960683m | ||
| 5487543 | 461855 | 2 | None | -144 | 5 | Human | 5.2 | pED50 | = | 5.2 | Functional | ChEMBL | 270 | 3 | 0 | 4 | 1.8 | COc1cccc(C#CCO/N=C2\CN3CCC2C3)c1 | 10.1021/jm960683m | ||
| CHEMBL81878 | 461855 | 2 | None | -144 | 5 | Human | 5.2 | pED50 | = | 5.2 | Functional | ChEMBL | 270 | 3 | 0 | 4 | 1.8 | COc1cccc(C#CCO/N=C2\CN3CCC2C3)c1 | 10.1021/jm960683m | ||
| 9795428 | 196826 | 4 | None | -20 | 5 | Human | 6.1 | pED50 | = | 6.1 | Functional | ChEMBL | 270 | 3 | 0 | 4 | 1.8 | COc1cccc(C#CCO/N=C2\CN3CC[C@@H]2C3)c1 | 10.1021/jm960683m | ||
| CHEMBL262455 | 196826 | 4 | None | -20 | 5 | Human | 6.1 | pED50 | = | 6.1 | Functional | ChEMBL | 270 | 3 | 0 | 4 | 1.8 | COc1cccc(C#CCO/N=C2\CN3CC[C@@H]2C3)c1 | 10.1021/jm960683m | ||
| 168797968 | 392247 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 412 | 3 | 0 | 7 | 2.1 | Cc1c(C2CCN(S(=O)(=O)c3cnn(C)c3Cl)CC2)cn2ncnc2c1F | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5593418 | 392247 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 412 | 3 | 0 | 7 | 2.1 | Cc1c(C2CCN(S(=O)(=O)c3cnn(C)c3Cl)CC2)cn2ncnc2c1F | 10.1021/acs.jmedchem.4c01193 | ||
| 168299773 | 385216 | 0 | None | 10 | 2 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 457 | 4 | 1 | 7 | 2.7 | Cn1ncc(S(=O)(=O)N2CC[C@H](C(=O)Nc3ccc4scnc4c3)[C@@H](F)C2)c1Cl | 10.1016/j.bmcl.2022.128988 | ||
| CHEMBL5218711 | 385216 | 0 | None | 10 | 2 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 457 | 4 | 1 | 7 | 2.7 | Cn1ncc(S(=O)(=O)N2CC[C@H](C(=O)Nc3ccc4scnc4c3)[C@@H](F)C2)c1Cl | 10.1016/j.bmcl.2022.128988 | ||
| 71607130 | 214394 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 424 | 2 | 0 | 2 | 4.4 | O=C(c1cc(F)cc(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1021/jm4013246 | ||
| CHEMBL3105212 | 214394 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 424 | 2 | 0 | 2 | 4.4 | O=C(c1cc(F)cc(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1021/jm4013246 | ||
| 118719486 | 234484 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 452 | 2 | 0 | 4 | 3.6 | O=C(c1cc(F)c(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3353274 | 234484 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 452 | 2 | 0 | 4 | 3.6 | O=C(c1cc(F)c(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2014.11.082 | ||
| 137638270 | 312793 | 0 | None | -8 | 5 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 434 | 4 | 0 | 8 | 2.2 | Cc1noc(C)c1S(=O)(=O)N1CCN(c2ccc(N3CCCC(C)(C)C3)nn2)CC1 | 10.1016/j.bmcl.2017.05.042 | ||
| CHEMBL4071900 | 312793 | 0 | None | -8 | 5 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 434 | 4 | 0 | 8 | 2.2 | Cc1noc(C)c1S(=O)(=O)N1CCN(c2ccc(N3CCCC(C)(C)C3)nn2)CC1 | 10.1016/j.bmcl.2017.05.042 | ||
| 71598521 | 5238 | 24 | None | 1 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 424 | 2 | 0 | 2 | 4.4 | Clc1ccc(cc1)[C@]12N(CCN1C(=O)c1c2cccc1)C(=O)c1ccc(c(c1)F)F | 10.1016/j.bmcl.2017.02.020 | ||
| 7631 | 5238 | 24 | None | 1 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 424 | 2 | 0 | 2 | 4.4 | Clc1ccc(cc1)[C@]12N(CCN1C(=O)c1c2cccc1)C(=O)c1ccc(c(c1)F)F | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL3105228 | 5238 | 24 | None | 1 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 424 | 2 | 0 | 2 | 4.4 | Clc1ccc(cc1)[C@]12N(CCN1C(=O)c1c2cccc1)C(=O)c1ccc(c(c1)F)F | 10.1016/j.bmcl.2017.02.020 | ||
| 71607097 | 214389 | 0 | None | 1 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 390 | 2 | 0 | 2 | 3.8 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| CHEMBL3105208 | 214389 | 0 | None | 1 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 390 | 2 | 0 | 2 | 3.8 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| 162523027 | 385219 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 416 | 4 | 1 | 6 | 3.0 | Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4scnc4c3)CC2)cn1 | 10.1016/j.bmcl.2022.128988 | ||
| CHEMBL5218928 | 385219 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 416 | 4 | 1 | 6 | 3.0 | Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4scnc4c3)CC2)cn1 | 10.1016/j.bmcl.2022.128988 | ||
| 71607097 | 214389 | 0 | None | 1 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 390 | 2 | 0 | 2 | 3.8 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| CHEMBL3105208 | 214389 | 0 | None | 1 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 390 | 2 | 0 | 2 | 3.8 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| 162523004 | 385211 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 457 | 4 | 1 | 6 | 3.8 | CC1COc2ccc(S(=O)(=O)N3CCC(C(=O)Nc4ccc5scnc5c4)CC3)cc21 | 10.1016/j.bmcl.2022.128988 | ||
| CHEMBL5218597 | 385211 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 457 | 4 | 1 | 6 | 3.8 | CC1COc2ccc(S(=O)(=O)N3CCC(C(=O)Nc4ccc5scnc5c4)CC3)cc21 | 10.1016/j.bmcl.2022.128988 | ||
| 168797652 | 391953 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 395 | 3 | 0 | 8 | 1.4 | Cc1cc2ncnn2nc1C1CCN(S(=O)(=O)c2cnn(C)c2Cl)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5583733 | 391953 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 395 | 3 | 0 | 8 | 1.4 | Cc1cc2ncnn2nc1C1CCN(S(=O)(=O)c2cnn(C)c2Cl)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| 168797643 | 392079 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 398 | 3 | 0 | 6 | 2.5 | Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5590211 | 392079 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 398 | 3 | 0 | 6 | 2.5 | Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| 168295434 | 375381 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 409 | 5 | 0 | 7 | 2.4 | Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5207053 | 375381 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 409 | 5 | 0 | 7 | 2.4 | Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 168295434 | 375381 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 409 | 5 | 0 | 7 | 2.4 | Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5207053 | 375381 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 409 | 5 | 0 | 7 | 2.4 | Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 168797562 | 392345 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 386 | 3 | 0 | 7 | 1.7 | Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2cnn3c2CCC3)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5594846 | 392345 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 386 | 3 | 0 | 7 | 1.7 | Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2cnn3c2CCC3)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| 168797562 | 392345 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 386 | 3 | 0 | 7 | 1.7 | Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2cnn3c2CCC3)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5594846 | 392345 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 386 | 3 | 0 | 7 | 1.7 | Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2cnn3c2CCC3)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| 24882532 | 195491 | 0 | None | -2 | 4 | Rat | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 363 | 6 | 1 | 3 | 4.4 | CCN1CCN(c2ccc(NC(=O)CCC3CCCC3)cc2Cl)CC1 | 10.1016/j.bmcl.2007.12.051 | ||
| CHEMBL255523 | 195491 | 0 | None | -2 | 4 | Rat | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 363 | 6 | 1 | 3 | 4.4 | CCN1CCN(c2ccc(NC(=O)CCC3CCCC3)cc2Cl)CC1 | 10.1016/j.bmcl.2007.12.051 | ||
| 118719495 | 234492 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 456 | 4 | 0 | 5 | 4.0 | CC(C)Oc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc3c(c2)OCO3)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3353283 | 234492 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 456 | 4 | 0 | 5 | 4.0 | CC(C)Oc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc3c(c2)OCO3)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| 71598549 | 212869 | 2 | None | -2 | 2 | Rat | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 424 | 2 | 0 | 2 | 4.4 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1021/jm4013246 | ||
| CHEMBL3105213 | 212869 | 2 | None | -2 | 2 | Rat | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 424 | 2 | 0 | 2 | 4.4 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1021/jm4013246 | ||
| 168797652 | 391953 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 395 | 3 | 0 | 8 | 1.4 | Cc1cc2ncnn2nc1C1CCN(S(=O)(=O)c2cnn(C)c2Cl)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5583733 | 391953 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 395 | 3 | 0 | 8 | 1.4 | Cc1cc2ncnn2nc1C1CCN(S(=O)(=O)c2cnn(C)c2Cl)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| 168797643 | 392079 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 398 | 3 | 0 | 6 | 2.5 | Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5590211 | 392079 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 398 | 3 | 0 | 6 | 2.5 | Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| 162523114 | 385254 | 0 | None | 2 | 3 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 443 | 4 | 1 | 6 | 3.3 | O=C(Nc1ccc2scnc2c1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1016/j.bmcl.2022.128988 | ||
| CHEMBL5219691 | 385254 | 0 | None | 2 | 3 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 443 | 4 | 1 | 6 | 3.3 | O=C(Nc1ccc2scnc2c1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1016/j.bmcl.2022.128988 | ||
| 71598521 | 5238 | 24 | None | 1 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 424 | 2 | 0 | 2 | 4.4 | Clc1ccc(cc1)[C@]12N(CCN1C(=O)c1c2cccc1)C(=O)c1ccc(c(c1)F)F | 10.1016/j.bmcl.2017.02.020 | ||
| 7631 | 5238 | 24 | None | 1 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 424 | 2 | 0 | 2 | 4.4 | Clc1ccc(cc1)[C@]12N(CCN1C(=O)c1c2cccc1)C(=O)c1ccc(c(c1)F)F | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL3105228 | 5238 | 24 | None | 1 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 424 | 2 | 0 | 2 | 4.4 | Clc1ccc(cc1)[C@]12N(CCN1C(=O)c1c2cccc1)C(=O)c1ccc(c(c1)F)F | 10.1016/j.bmcl.2017.02.020 | ||
| 137654353 | 314871 | 0 | None | -3 | 6 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 436 | 4 | 0 | 5 | 4.3 | O=C(C1CCN(c2cc(Oc3ccc(F)cc3F)ncn2)CC1)N1Cc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| CHEMBL4096589 | 314871 | 0 | None | -3 | 6 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 436 | 4 | 0 | 5 | 4.3 | O=C(C1CCN(c2cc(Oc3ccc(F)cc3F)ncn2)CC1)N1Cc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| 168275716 | 373313 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 407 | 5 | 0 | 6 | 2.9 | Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3c(c2)CCCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5174730 | 373313 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 407 | 5 | 0 | 6 | 2.9 | Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3c(c2)CCCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 168275716 | 373313 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 407 | 5 | 0 | 6 | 2.9 | Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3c(c2)CCCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5174730 | 373313 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 407 | 5 | 0 | 6 | 2.9 | Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3c(c2)CCCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 134824563 | 311971 | 23 | None | 1 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 438 | 2 | 0 | 2 | 4.7 | Cc1cc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)ccc1Cl | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4062497 | 311971 | 23 | None | 1 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 438 | 2 | 0 | 2 | 4.7 | Cc1cc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)ccc1Cl | 10.1016/j.bmcl.2017.02.020 | ||
| 168273459 | 373200 | 0 | None | 23 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 407 | 6 | 0 | 6 | 3.0 | CCn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5172903 | 373200 | 0 | None | 23 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 407 | 6 | 0 | 6 | 3.0 | CCn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 168273459 | 373200 | 0 | None | 23 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 407 | 6 | 0 | 6 | 3.0 | CCn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5172903 | 373200 | 0 | None | 23 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 407 | 6 | 0 | 6 | 3.0 | CCn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 134824563 | 311971 | 23 | None | 1 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 438 | 2 | 0 | 2 | 4.7 | Cc1cc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)ccc1Cl | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL4062497 | 311971 | 23 | None | 1 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 438 | 2 | 0 | 2 | 4.7 | Cc1cc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)ccc1Cl | 10.1021/acs.jmedchem.2c00192 | ||
| 134824563 | 311971 | 23 | None | 1 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 438 | 2 | 0 | 2 | 4.7 | Cc1cc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)ccc1Cl | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4062497 | 311971 | 23 | None | 1 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 438 | 2 | 0 | 2 | 4.7 | Cc1cc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)ccc1Cl | 10.1016/j.bmcl.2017.02.020 | ||
| 118719480 | 234478 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 434 | 3 | 0 | 3 | 4.1 | COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)cc1C | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3353268 | 234478 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 434 | 3 | 0 | 3 | 4.1 | COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)cc1C | 10.1016/j.bmcl.2014.11.082 | ||
| 168283348 | 373869 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 427 | 5 | 0 | 6 | 1.5 | Cn1ccnc1[S+]([O-])C[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@@H]1F | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5183573 | 373869 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 427 | 5 | 0 | 6 | 1.5 | Cn1ccnc1[S+]([O-])C[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@@H]1F | 10.1021/acs.jmedchem.2c00192 | ||
| 168283348 | 373869 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 427 | 5 | 0 | 6 | 1.5 | Cn1ccnc1[S+]([O-])C[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@@H]1F | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5183573 | 373869 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 427 | 5 | 0 | 6 | 1.5 | Cn1ccnc1[S+]([O-])C[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@@H]1F | 10.1021/acs.jmedchem.2c00192 | ||
| 168797501 | 391967 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 392 | 3 | 0 | 5 | 2.9 | Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5583907 | 391967 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 392 | 3 | 0 | 5 | 2.9 | Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| 168797501 | 391967 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 392 | 3 | 0 | 5 | 2.9 | Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5583907 | 391967 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 392 | 3 | 0 | 5 | 2.9 | Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| 164673826 | 375210 | 16 | None | -57 | 4 | Rat | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 411 | 5 | 0 | 6 | 2.5 | Cn1ccnc1SC[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@@H]1F | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5204021 | 375210 | 16 | None | -57 | 4 | Rat | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 411 | 5 | 0 | 6 | 2.5 | Cn1ccnc1SC[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@@H]1F | 10.1021/acs.jmedchem.2c00192 | ||
| 137658629 | 315216 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 473 | 4 | 0 | 3 | 4.8 | CN(c1ccc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)cc1)C1CCC1 | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4100518 | 315216 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 473 | 4 | 0 | 3 | 4.8 | CN(c1ccc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)cc1)C1CCC1 | 10.1016/j.bmcl.2017.02.020 | ||
| 71607117 | 214395 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 472 | 3 | 0 | 3 | 5.3 | O=C(c1ccc(SC(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccc(F)cc1 | 10.1021/jm4013246 | ||
| CHEMBL3105215 | 214395 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 472 | 3 | 0 | 3 | 5.3 | O=C(c1ccc(SC(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccc(F)cc1 | 10.1021/jm4013246 | ||
| 168298068 | 385206 | 0 | None | 23 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 440 | 4 | 1 | 7 | 3.0 | Cc1ncc(S(=O)(=O)N2CC[C@H](C(=O)Nc3ccc4scnc4c3)[C@@H](F)C2)s1 | 10.1016/j.bmcl.2022.128988 | ||
| CHEMBL5218449 | 385206 | 0 | None | 23 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 440 | 4 | 1 | 7 | 3.0 | Cc1ncc(S(=O)(=O)N2CC[C@H](C(=O)Nc3ccc4scnc4c3)[C@@H](F)C2)s1 | 10.1016/j.bmcl.2022.128988 | ||
| 3156646 | 22580 | 6 | None | -1 | 3 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 373 | 5 | 1 | 4 | 3.7 | CCN1CCN(c2ccc(NC(=O)c3ccccc3OC)cc2Cl)CC1 | 10.1016/j.bmcl.2010.02.041 | ||
| CHEMBL1092460 | 22580 | 6 | None | -1 | 3 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 373 | 5 | 1 | 4 | 3.7 | CCN1CCN(c2ccc(NC(=O)c3ccccc3OC)cc2Cl)CC1 | 10.1016/j.bmcl.2010.02.041 | ||
| 71607117 | 214395 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 472 | 3 | 0 | 3 | 5.3 | O=C(c1ccc(SC(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccc(F)cc1 | 10.1021/jm4013246 | ||
| CHEMBL3105215 | 214395 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 472 | 3 | 0 | 3 | 5.3 | O=C(c1ccc(SC(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccc(F)cc1 | 10.1021/jm4013246 | ||
| 118719477 | 234475 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 434 | 2 | 0 | 4 | 3.5 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3353265 | 234475 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 434 | 2 | 0 | 4 | 3.5 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2014.11.082 | ||
| 118719483 | 234482 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 434 | 3 | 0 | 3 | 4.1 | COc1cc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)ccc1C | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3353271 | 234482 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 434 | 3 | 0 | 3 | 4.1 | COc1cc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)ccc1C | 10.1016/j.bmcl.2014.11.082 | ||
| 118719498 | 234495 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 456 | 5 | 0 | 4 | 4.6 | COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(OC(C)C)cc2)cc1C | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3353286 | 234495 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 456 | 5 | 0 | 4 | 4.6 | COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(OC(C)C)cc2)cc1C | 10.1016/j.bmcl.2014.11.082 | ||
| 118719499 | 234496 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 460 | 5 | 0 | 4 | 4.4 | COc1cc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(OC(C)C)cc2)ccc1F | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3353287 | 234496 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 460 | 5 | 0 | 4 | 4.4 | COc1cc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(OC(C)C)cc2)ccc1F | 10.1016/j.bmcl.2014.11.082 | ||
| 71737771 | 235398 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 420 | 3 | 0 | 3 | 3.8 | COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3361328 | 235398 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 420 | 3 | 0 | 3 | 3.8 | COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| 44455159 | 198068 | 0 | None | -11 | 5 | Rat | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 383 | 5 | 1 | 3 | 4.2 | CCN1CCN(c2ccc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2007.12.051 | ||
| CHEMBL271704 | 198068 | 0 | None | -11 | 5 | Rat | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 383 | 5 | 1 | 3 | 4.2 | CCN1CCN(c2ccc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2007.12.051 | ||
| 71737771 | 235398 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 420 | 3 | 0 | 3 | 3.8 | COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3361328 | 235398 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 420 | 3 | 0 | 3 | 3.8 | COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| 137658629 | 315216 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 473 | 4 | 0 | 3 | 4.8 | CN(c1ccc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)cc1)C1CCC1 | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4100518 | 315216 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 473 | 4 | 0 | 3 | 4.8 | CN(c1ccc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)cc1)C1CCC1 | 10.1016/j.bmcl.2017.02.020 | ||
| 162523094 | 385220 | 0 | None | -4 | 2 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 419 | 4 | 1 | 7 | 2.4 | Cc1nn(C)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc3scnc3c2)CC1 | 10.1016/j.bmcl.2022.128988 | ||
| CHEMBL5218950 | 385220 | 0 | None | -4 | 2 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 419 | 4 | 1 | 7 | 2.4 | Cc1nn(C)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc3scnc3c2)CC1 | 10.1016/j.bmcl.2022.128988 | ||
| 168298075 | 385210 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 457 | 4 | 1 | 6 | 3.7 | C[C@@H]1C[C@@H](C(=O)Nc2ccc3scnc3c2)CCN1S(=O)(=O)c1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2022.128988 | ||
| 168298989 | 385210 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 457 | 4 | 1 | 6 | 3.7 | C[C@@H]1C[C@@H](C(=O)Nc2ccc3scnc3c2)CCN1S(=O)(=O)c1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2022.128988 | ||
| CHEMBL5218587 | 385210 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 457 | 4 | 1 | 6 | 3.7 | C[C@@H]1C[C@@H](C(=O)Nc2ccc3scnc3c2)CCN1S(=O)(=O)c1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2022.128988 | ||
| CHEMBL5220906 | 385210 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 457 | 4 | 1 | 6 | 3.7 | C[C@@H]1C[C@@H](C(=O)Nc2ccc3scnc3c2)CCN1S(=O)(=O)c1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2022.128988 | ||
| 168797900 | 391959 | 0 | None | 4 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 377 | 3 | 0 | 7 | 2.4 | Cc1ncc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3C)CC2)s1 | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5583841 | 391959 | 0 | None | 4 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 377 | 3 | 0 | 7 | 2.4 | Cc1ncc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3C)CC2)s1 | 10.1021/acs.jmedchem.4c01193 | ||
| 168797900 | 391959 | 0 | None | 4 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 377 | 3 | 0 | 7 | 2.4 | Cc1ncc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3C)CC2)s1 | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5583841 | 391959 | 0 | None | 4 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 377 | 3 | 0 | 7 | 2.4 | Cc1ncc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3C)CC2)s1 | 10.1021/acs.jmedchem.4c01193 | ||
| 71607066 | 214384 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 454 | 3 | 0 | 3 | 5.1 | O=C(c1ccc(SC(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| CHEMBL3105203 | 214384 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 454 | 3 | 0 | 3 | 5.1 | O=C(c1ccc(SC(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| 168272920 | 373198 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 402 | 5 | 0 | 6 | 3.2 | Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3ncccc3c2)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5172889 | 373198 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 402 | 5 | 0 | 6 | 3.2 | Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3ncccc3c2)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 71607066 | 214384 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 454 | 3 | 0 | 3 | 5.1 | O=C(c1ccc(SC(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| CHEMBL3105203 | 214384 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 454 | 3 | 0 | 3 | 5.1 | O=C(c1ccc(SC(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| 168272920 | 373198 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 402 | 5 | 0 | 6 | 3.2 | Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3ncccc3c2)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5172889 | 373198 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 402 | 5 | 0 | 6 | 3.2 | Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3ncccc3c2)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 118719488 | 234485 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 472 | 3 | 0 | 3 | 4.6 | COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)c(F)c(F)c2)cc1Cl | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3353276 | 234485 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 472 | 3 | 0 | 3 | 4.6 | COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)c(F)c(F)c2)cc1Cl | 10.1016/j.bmcl.2014.11.082 | ||
| 162523010 | 385215 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 444 | 4 | 1 | 7 | 2.7 | O=C(Nc1ccc2snnc2c1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1016/j.bmcl.2022.128988 | ||
| CHEMBL5218709 | 385215 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 444 | 4 | 1 | 7 | 2.7 | O=C(Nc1ccc2snnc2c1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1016/j.bmcl.2022.128988 | ||
| 137631491 | 312214 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 509 | 3 | 0 | 3 | 5.0 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCCC(F)(F)C2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4065335 | 312214 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 509 | 3 | 0 | 3 | 5.0 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCCC(F)(F)C2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| 137641540 | 313992 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 541 | 3 | 0 | 3 | 5.7 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCCCC2C(F)(F)F)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4086766 | 313992 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 541 | 3 | 0 | 3 | 5.7 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCCCC2C(F)(F)F)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| 137631491 | 312214 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 509 | 3 | 0 | 3 | 5.0 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCCC(F)(F)C2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4065335 | 312214 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 509 | 3 | 0 | 3 | 5.0 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCCC(F)(F)C2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| 168297098 | 375535 | 0 | None | 9 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 407 | 5 | 0 | 6 | 2.9 | CC(Sc1nccn1C)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5209198 | 375535 | 0 | None | 9 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 407 | 5 | 0 | 6 | 2.9 | CC(Sc1nccn1C)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 168297098 | 375535 | 0 | None | 9 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 407 | 5 | 0 | 6 | 2.9 | CC(Sc1nccn1C)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5209198 | 375535 | 0 | None | 9 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 407 | 5 | 0 | 6 | 2.9 | CC(Sc1nccn1C)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 168798119 | 392161 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 414 | 3 | 0 | 7 | 2.4 | Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5591593 | 392161 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 414 | 3 | 0 | 7 | 2.4 | Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| 168798119 | 392161 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 414 | 3 | 0 | 7 | 2.4 | Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5591593 | 392161 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 414 | 3 | 0 | 7 | 2.4 | Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| 168298923 | 385234 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 457 | 4 | 1 | 6 | 3.5 | C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CCO3)CC[C@@H]1C(=O)Nc1ccc2scnc2c1 | 10.1016/j.bmcl.2022.128988 | ||
| CHEMBL5219222 | 385234 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 457 | 4 | 1 | 6 | 3.5 | C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CCO3)CC[C@@H]1C(=O)Nc1ccc2scnc2c1 | 10.1016/j.bmcl.2022.128988 | ||
| 167434636 | 392325 | 0 | None | -3 | 4 | Rat | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 397 | 3 | 0 | 7 | 2.7 | Cc1ncc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3Cl)CC2)s1 | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5594532 | 392325 | 0 | None | -3 | 4 | Rat | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 397 | 3 | 0 | 7 | 2.7 | Cc1ncc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3Cl)CC2)s1 | 10.1021/acs.jmedchem.4c01193 | ||
| 118719491 | 234488 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 472 | 3 | 0 | 3 | 4.6 | COc1cc(C23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)c(F)c(F)c2)ccc1Cl | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3353279 | 234488 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 472 | 3 | 0 | 3 | 4.6 | COc1cc(C23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)c(F)c(F)c2)ccc1Cl | 10.1016/j.bmcl.2014.11.082 | ||
| 118724901 | 235397 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 420 | 3 | 0 | 3 | 3.8 | COc1cccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)c1 | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3361327 | 235397 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 420 | 3 | 0 | 3 | 3.8 | COc1cccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)c1 | 10.1016/j.bmcl.2014.11.082 | ||
| 134824563 | 311971 | 23 | None | -1 | 2 | Rat | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 438 | 2 | 0 | 2 | 4.7 | Cc1cc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)ccc1Cl | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4062497 | 311971 | 23 | None | -1 | 2 | Rat | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 438 | 2 | 0 | 2 | 4.7 | Cc1cc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)ccc1Cl | 10.1016/j.bmcl.2017.02.020 | ||
| 118724901 | 235397 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 420 | 3 | 0 | 3 | 3.8 | COc1cccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)c1 | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3361327 | 235397 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 420 | 3 | 0 | 3 | 3.8 | COc1cccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)c1 | 10.1016/j.bmcl.2014.11.082 | ||
| 134824563 | 311971 | 23 | None | -1 | 2 | Rat | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 438 | 2 | 0 | 2 | 4.7 | Cc1cc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)ccc1Cl | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4062497 | 311971 | 23 | None | -1 | 2 | Rat | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 438 | 2 | 0 | 2 | 4.7 | Cc1cc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)ccc1Cl | 10.1016/j.bmcl.2017.02.020 | ||
| 162523110 | 385249 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 436 | 4 | 1 | 6 | 3.4 | O=C(Nc1ccc2scnc2c1)C1CCN(S(=O)(=O)c2ccc(Cl)nc2)CC1 | 10.1016/j.bmcl.2022.128988 | ||
| CHEMBL5219539 | 385249 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 436 | 4 | 1 | 6 | 3.4 | O=C(Nc1ccc2scnc2c1)C1CCN(S(=O)(=O)c2ccc(Cl)nc2)CC1 | 10.1016/j.bmcl.2022.128988 | ||
| 168797791 | 392105 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 380 | 3 | 0 | 7 | 1.7 | Cn1ncc(S(=O)(=O)N2CCC(c3ccc4ncnn4c3)CC2)c1Cl | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5590586 | 392105 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 380 | 3 | 0 | 7 | 1.7 | Cn1ncc(S(=O)(=O)N2CCC(c3ccc4ncnn4c3)CC2)c1Cl | 10.1021/acs.jmedchem.4c01193 | ||
| 168797791 | 392105 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 380 | 3 | 0 | 7 | 1.7 | Cn1ncc(S(=O)(=O)N2CCC(c3ccc4ncnn4c3)CC2)c1Cl | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5590586 | 392105 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 380 | 3 | 0 | 7 | 1.7 | Cn1ncc(S(=O)(=O)N2CCC(c3ccc4ncnn4c3)CC2)c1Cl | 10.1021/acs.jmedchem.4c01193 | ||
| 137640100 | 312727 | 22 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 438 | 2 | 0 | 2 | 4.7 | Cc1cc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)ccc1Cl | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4071136 | 312727 | 22 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 438 | 2 | 0 | 2 | 4.7 | Cc1cc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)ccc1Cl | 10.1016/j.bmcl.2017.02.020 | ||
| 167434655 | 392054 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 398 | 3 | 0 | 7 | 1.8 | Cn1ncc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3F)CC2)c1Cl | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5589696 | 392054 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 398 | 3 | 0 | 7 | 1.8 | Cn1ncc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3F)CC2)c1Cl | 10.1021/acs.jmedchem.4c01193 | ||
| 137640100 | 312727 | 22 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 438 | 2 | 0 | 2 | 4.7 | Cc1cc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)ccc1Cl | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4071136 | 312727 | 22 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 438 | 2 | 0 | 2 | 4.7 | Cc1cc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)ccc1Cl | 10.1016/j.bmcl.2017.02.020 | ||
| 59025917 | 235391 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 418 | 3 | 0 | 3 | 4.2 | COc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3361317 | 235391 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 418 | 3 | 0 | 3 | 4.2 | COc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| 162523037 | 385232 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 437 | 4 | 1 | 5 | 3.2 | O=C(Nc1ccc2cccnc2c1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1016/j.bmcl.2022.128988 | ||
| CHEMBL5219142 | 385232 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 437 | 4 | 1 | 5 | 3.2 | O=C(Nc1ccc2cccnc2c1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1016/j.bmcl.2022.128988 | ||
| 137653721 | 314528 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 509 | 3 | 0 | 3 | 5.0 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCC(F)(F)CC2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4092786 | 314528 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 509 | 3 | 0 | 3 | 5.0 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCC(F)(F)CC2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| 59025917 | 235391 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 418 | 3 | 0 | 3 | 4.2 | COc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3361317 | 235391 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 418 | 3 | 0 | 3 | 4.2 | COc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| 137653721 | 314528 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 509 | 3 | 0 | 3 | 5.0 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCC(F)(F)CC2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4092786 | 314528 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 509 | 3 | 0 | 3 | 5.0 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCC(F)(F)CC2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| 168797958 | 391968 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 412 | 3 | 0 | 6 | 2.9 | Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2ccc3c(c2)CCCO3)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5583928 | 391968 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 412 | 3 | 0 | 6 | 2.9 | Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2ccc3c(c2)CCCO3)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| 168797958 | 391968 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 412 | 3 | 0 | 6 | 2.9 | Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2ccc3c(c2)CCCO3)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5583928 | 391968 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 412 | 3 | 0 | 6 | 2.9 | Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2ccc3c(c2)CCCO3)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| 168797959 | 391910 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 374 | 3 | 0 | 7 | 1.6 | Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2cnc(C)n2C)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5579769 | 391910 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 374 | 3 | 0 | 7 | 1.6 | Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2cnc(C)n2C)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| 167434655 | 392054 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 398 | 3 | 0 | 7 | 1.8 | Cn1ncc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3F)CC2)c1Cl | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5589696 | 392054 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 398 | 3 | 0 | 7 | 1.8 | Cn1ncc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3F)CC2)c1Cl | 10.1021/acs.jmedchem.4c01193 | ||
| 168797916 | 392349 | 0 | None | -1 | 4 | Mouse | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 381 | 3 | 0 | 7 | 2.2 | Cc1ncc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3Cl)CC2)o1 | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5594872 | 392349 | 0 | None | -1 | 4 | Mouse | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 381 | 3 | 0 | 7 | 2.2 | Cc1ncc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3Cl)CC2)o1 | 10.1021/acs.jmedchem.4c01193 | ||
| 168797959 | 391910 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 374 | 3 | 0 | 7 | 1.6 | Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2cnc(C)n2C)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5579769 | 391910 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 374 | 3 | 0 | 7 | 1.6 | Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2cnc(C)n2C)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| 118719494 | 234491 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 470 | 6 | 0 | 4 | 5.1 | CC(C)Oc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(OC(C)C)cc2)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3353282 | 234491 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 470 | 6 | 0 | 4 | 5.1 | CC(C)Oc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(OC(C)C)cc2)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| 71607129 | 214385 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 422 | 2 | 0 | 2 | 4.5 | O=C(c1ccc(C(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| CHEMBL3105204 | 214385 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 422 | 2 | 0 | 2 | 4.5 | O=C(c1ccc(C(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| 71607129 | 214385 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 422 | 2 | 0 | 2 | 4.5 | O=C(c1ccc(C(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| CHEMBL3105204 | 214385 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 422 | 2 | 0 | 2 | 4.5 | O=C(c1ccc(C(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| 168797916 | 392349 | 0 | None | 1 | 4 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 381 | 3 | 0 | 7 | 2.2 | Cc1ncc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3Cl)CC2)o1 | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5594872 | 392349 | 0 | None | 1 | 4 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 381 | 3 | 0 | 7 | 2.2 | Cc1ncc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3Cl)CC2)o1 | 10.1021/acs.jmedchem.4c01193 | ||
| 59025979 | 214107 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 456 | 2 | 0 | 2 | 5.2 | O=C(c1ccc(C(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1021/jm4013246 | ||
| CHEMBL3102882 | 214107 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 456 | 2 | 0 | 2 | 5.2 | O=C(c1ccc(C(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1021/jm4013246 | ||
| 118719482 | 234481 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 454 | 3 | 0 | 3 | 4.4 | COc1cc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)ccc1Cl | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3353270 | 234481 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 454 | 3 | 0 | 3 | 4.4 | COc1cc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)ccc1Cl | 10.1016/j.bmcl.2014.11.082 | ||
| 59025979 | 214107 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 456 | 2 | 0 | 2 | 5.2 | O=C(c1ccc(C(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1021/jm4013246 | ||
| CHEMBL3102882 | 214107 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 456 | 2 | 0 | 2 | 5.2 | O=C(c1ccc(C(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1021/jm4013246 | ||
| 71607067 | 214396 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 440 | 2 | 0 | 2 | 4.7 | O=C(c1cccc(C(F)(F)F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(F)cc1 | 10.1021/jm4013246 | ||
| CHEMBL3105217 | 214396 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 440 | 2 | 0 | 2 | 4.7 | O=C(c1cccc(C(F)(F)F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(F)cc1 | 10.1021/jm4013246 | ||
| 168797830 | 392229 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 408 | 4 | 0 | 7 | 2.2 | CCc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2cnn(C)c2Cl)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5593150 | 392229 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 408 | 4 | 0 | 7 | 2.2 | CCc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2cnn(C)c2Cl)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| 168797916 | 392349 | 0 | None | 1 | 4 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 381 | 3 | 0 | 7 | 2.2 | Cc1ncc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3Cl)CC2)o1 | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5594872 | 392349 | 0 | None | 1 | 4 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 381 | 3 | 0 | 7 | 2.2 | Cc1ncc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3Cl)CC2)o1 | 10.1021/acs.jmedchem.4c01193 | ||
| 168797830 | 392229 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 408 | 4 | 0 | 7 | 2.2 | CCc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2cnn(C)c2Cl)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5593150 | 392229 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 408 | 4 | 0 | 7 | 2.2 | CCc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2cnn(C)c2Cl)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| 71607067 | 214396 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 440 | 2 | 0 | 2 | 4.7 | O=C(c1cccc(C(F)(F)F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(F)cc1 | 10.1021/jm4013246 | ||
| CHEMBL3105217 | 214396 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 440 | 2 | 0 | 2 | 4.7 | O=C(c1cccc(C(F)(F)F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(F)cc1 | 10.1021/jm4013246 | ||
| 118724903 | 235399 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 396 | 2 | 0 | 2 | 4.3 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12C1CCCCC1 | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3361330 | 235399 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 396 | 2 | 0 | 2 | 4.3 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12C1CCCCC1 | 10.1016/j.bmcl.2014.11.082 | ||
| 71607097 | 214389 | 0 | None | -1 | 2 | Rat | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 390 | 2 | 0 | 2 | 3.8 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| CHEMBL3105208 | 214389 | 0 | None | -1 | 2 | Rat | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 390 | 2 | 0 | 2 | 3.8 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| 162360963 | 392162 | 0 | None | -5 | 2 | Rat | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 413 | 4 | 1 | 8 | 1.9 | O=S(=O)(c1cnc(CO)s1)N1CCC(c2cn3ncnc3cc2Cl)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5591601 | 392162 | 0 | None | -5 | 2 | Rat | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 413 | 4 | 1 | 8 | 1.9 | O=S(=O)(c1cnc(CO)s1)N1CCC(c2cn3ncnc3cc2Cl)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| 71800817 | 374429 | 9 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 426 | 5 | 0 | 7 | 3.4 | Cc1csc(SCC2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)n1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5192133 | 374429 | 9 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 426 | 5 | 0 | 7 | 3.4 | Cc1csc(SCC2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)n1 | 10.1021/acs.jmedchem.2c00192 | ||
| 118724903 | 235399 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 396 | 2 | 0 | 2 | 4.3 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12C1CCCCC1 | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3361330 | 235399 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 396 | 2 | 0 | 2 | 4.3 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12C1CCCCC1 | 10.1016/j.bmcl.2014.11.082 | ||
| 168270600 | 373136 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 378 | 5 | 0 | 5 | 3.1 | O=S(=O)(c1ccc2c(c1)CCO2)N1CCC(CCc2nccs2)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5171868 | 373136 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 378 | 5 | 0 | 5 | 3.1 | O=S(=O)(c1ccc2c(c1)CCO2)N1CCC(CCc2nccs2)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 168270600 | 373136 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 378 | 5 | 0 | 5 | 3.1 | O=S(=O)(c1ccc2c(c1)CCO2)N1CCC(CCc2nccs2)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5171868 | 373136 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 378 | 5 | 0 | 5 | 3.1 | O=S(=O)(c1ccc2c(c1)CCO2)N1CCC(CCc2nccs2)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 118719501 | 234498 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 456 | 5 | 0 | 4 | 4.6 | COc1cc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(OC(C)C)cc2)ccc1C | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3353289 | 234498 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 456 | 5 | 0 | 4 | 4.6 | COc1cc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(OC(C)C)cc2)ccc1C | 10.1016/j.bmcl.2014.11.082 | ||
| 168271588 | 373300 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 371 | 2 | 0 | 5 | 1.8 | Cn1ccnc1C#CC1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5174465 | 373300 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 371 | 2 | 0 | 5 | 1.8 | Cn1ccnc1C#CC1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 168285490 | 374717 | 0 | None | 9 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 407 | 5 | 0 | 6 | 2.9 | Cc1cn(C)c(SCC2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)n1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5196183 | 374717 | 0 | None | 9 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 407 | 5 | 0 | 6 | 2.9 | Cc1cn(C)c(SCC2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)n1 | 10.1021/acs.jmedchem.2c00192 | ||
| 168285490 | 374717 | 0 | None | 9 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 407 | 5 | 0 | 6 | 2.9 | Cc1cn(C)c(SCC2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)n1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5196183 | 374717 | 0 | None | 9 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 407 | 5 | 0 | 6 | 2.9 | Cc1cn(C)c(SCC2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)n1 | 10.1021/acs.jmedchem.2c00192 | ||
| 168271551 | 373269 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 392 | 5 | 0 | 6 | 3.5 | Cn1ccnc1SCC1CCC(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5174003 | 373269 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 392 | 5 | 0 | 6 | 3.5 | Cn1ccnc1SCC1CCC(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 168271551 | 373269 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 392 | 5 | 0 | 6 | 3.5 | Cn1ccnc1SCC1CCC(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5174003 | 373269 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 392 | 5 | 0 | 6 | 3.5 | Cn1ccnc1SCC1CCC(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 1090202 | 22805 | 7 | None | -2 | 3 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 377 | 4 | 1 | 3 | 4.4 | CCN1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2Cl)CC1 | 10.1016/j.bmcl.2010.02.041 | ||
| CHEMBL1094003 | 22805 | 7 | None | -2 | 3 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 377 | 4 | 1 | 3 | 4.4 | CCN1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2Cl)CC1 | 10.1016/j.bmcl.2010.02.041 | ||
| 59025695 | 214390 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 472 | 3 | 0 | 3 | 5.1 | O=C(c1ccc(OC(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1021/jm4013246 | ||
| CHEMBL3105209 | 214390 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 472 | 3 | 0 | 3 | 5.1 | O=C(c1ccc(OC(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1021/jm4013246 | ||
| 71607084 | 214399 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 404 | 2 | 0 | 2 | 4.1 | Cc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)cc(F)c2)cc1 | 10.1021/jm4013246 | ||
| CHEMBL3105226 | 214399 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 404 | 2 | 0 | 2 | 4.1 | Cc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)cc(F)c2)cc1 | 10.1021/jm4013246 | ||
| 59025695 | 214390 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 472 | 3 | 0 | 3 | 5.1 | O=C(c1ccc(OC(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1021/jm4013246 | ||
| CHEMBL3105209 | 214390 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 472 | 3 | 0 | 3 | 5.1 | O=C(c1ccc(OC(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1021/jm4013246 | ||
| 71607084 | 214399 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 404 | 2 | 0 | 2 | 4.1 | Cc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)cc(F)c2)cc1 | 10.1021/jm4013246 | ||
| CHEMBL3105226 | 214399 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 404 | 2 | 0 | 2 | 4.1 | Cc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)cc(F)c2)cc1 | 10.1021/jm4013246 | ||
| 168294490 | 375248 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 443 | 5 | 0 | 7 | 1.2 | Cn1ccnc1S(=O)(=O)C[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@@H]1F | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5204724 | 375248 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 443 | 5 | 0 | 7 | 1.2 | Cn1ccnc1S(=O)(=O)C[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@@H]1F | 10.1021/acs.jmedchem.2c00192 | ||
| 168294490 | 375248 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 443 | 5 | 0 | 7 | 1.2 | Cn1ccnc1S(=O)(=O)C[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@@H]1F | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5204724 | 375248 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 443 | 5 | 0 | 7 | 1.2 | Cn1ccnc1S(=O)(=O)C[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@@H]1F | 10.1021/acs.jmedchem.2c00192 | ||
| 118719485 | 234483 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 466 | 4 | 0 | 3 | 4.7 | CC(C)Oc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)c(F)c(F)c2)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3353273 | 234483 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 466 | 4 | 0 | 3 | 4.7 | CC(C)Oc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)c(F)c(F)c2)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| 118724904 | 235400 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 382 | 2 | 0 | 2 | 3.9 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12C1CCCC1 | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3361331 | 235400 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 382 | 2 | 0 | 2 | 3.9 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12C1CCCC1 | 10.1016/j.bmcl.2014.11.082 | ||
| 118724904 | 235400 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 382 | 2 | 0 | 2 | 3.9 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12C1CCCC1 | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3361331 | 235400 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 382 | 2 | 0 | 2 | 3.9 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12C1CCCC1 | 10.1016/j.bmcl.2014.11.082 | ||
| 118719502 | 234499 | 0 | None | 2 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 452 | 3 | 0 | 3 | 4.2 | COc1ccc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)c(F)c(F)c2)cc1C | 10.1016/j.bmcl.2016.07.071 | ||
| CHEMBL3353290 | 234499 | 0 | None | 2 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 452 | 3 | 0 | 3 | 4.2 | COc1ccc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)c(F)c(F)c2)cc1C | 10.1016/j.bmcl.2016.07.071 | ||
| 162523114 | 385254 | 0 | None | -2 | 3 | Rat | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 443 | 4 | 1 | 6 | 3.3 | O=C(Nc1ccc2scnc2c1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1016/j.bmcl.2022.128988 | ||
| CHEMBL5219691 | 385254 | 0 | None | -2 | 3 | Rat | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 443 | 4 | 1 | 6 | 3.3 | O=C(Nc1ccc2scnc2c1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1016/j.bmcl.2022.128988 | ||
| 168283551 | 374182 | 0 | None | -2 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 395 | 3 | 0 | 5 | 2.8 | Cn1ccnc1-c1ccc2c(c1)CCN(S(=O)(=O)c1ccc3c(c1)CCO3)C2 | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5187886 | 374182 | 0 | None | -2 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 395 | 3 | 0 | 5 | 2.8 | Cn1ccnc1-c1ccc2c(c1)CCN(S(=O)(=O)c1ccc3c(c1)CCO3)C2 | 10.1021/acs.jmedchem.4c01193 | ||
| 3724239 | 86754 | 11 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 402 | 2 | 0 | 2 | 4.5 | Cc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(Cl)cc2)cc1 | 10.1021/jm4013246 | ||
| CHEMBL1507034 | 86754 | 11 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 402 | 2 | 0 | 2 | 4.5 | Cc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(Cl)cc2)cc1 | 10.1021/jm4013246 | ||
| 71607096 | 214400 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 404 | 2 | 0 | 2 | 4.1 | Cc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)cc1 | 10.1021/jm4013246 | ||
| CHEMBL3105227 | 214400 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 404 | 2 | 0 | 2 | 4.1 | Cc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)cc1 | 10.1021/jm4013246 | ||
| 118719502 | 234499 | 0 | None | 2 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 452 | 3 | 0 | 3 | 4.2 | COc1ccc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)c(F)c(F)c2)cc1C | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3353290 | 234499 | 0 | None | 2 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 452 | 3 | 0 | 3 | 4.2 | COc1ccc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)c(F)c(F)c2)cc1C | 10.1016/j.bmcl.2014.11.082 | ||
| 3724239 | 86754 | 11 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 402 | 2 | 0 | 2 | 4.5 | Cc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(Cl)cc2)cc1 | 10.1021/jm4013246 | ||
| CHEMBL1507034 | 86754 | 11 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 402 | 2 | 0 | 2 | 4.5 | Cc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(Cl)cc2)cc1 | 10.1021/jm4013246 | ||
| 71607096 | 214400 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 404 | 2 | 0 | 2 | 4.1 | Cc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)cc1 | 10.1021/jm4013246 | ||
| CHEMBL3105227 | 214400 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 404 | 2 | 0 | 2 | 4.1 | Cc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)cc1 | 10.1021/jm4013246 | ||
| 118719502 | 234499 | 0 | None | 2 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 452 | 3 | 0 | 3 | 4.2 | COc1ccc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)c(F)c(F)c2)cc1C | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3353290 | 234499 | 0 | None | 2 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 452 | 3 | 0 | 3 | 4.2 | COc1ccc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)c(F)c(F)c2)cc1C | 10.1016/j.bmcl.2014.11.082 | ||
| 162522965 | 385213 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 458 | 4 | 1 | 7 | 3.9 | O=C(Nc1ccc2scnc2c1)C1CCN(S(=O)(=O)c2ccc3ncsc3c2)CC1 | 10.1016/j.bmcl.2022.128988 | ||
| CHEMBL5218629 | 385213 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 458 | 4 | 1 | 7 | 3.9 | O=C(Nc1ccc2scnc2c1)C1CCN(S(=O)(=O)c2ccc3ncsc3c2)CC1 | 10.1016/j.bmcl.2022.128988 | ||
| 168272850 | 373746 | 0 | None | 2 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 427 | 4 | 0 | 6 | 3.3 | Cn1ccnc1Sc1ccc2c(c1)CCN(S(=O)(=O)c1ccc3c(c1)CCO3)C2 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5181618 | 373746 | 0 | None | 2 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 427 | 4 | 0 | 6 | 3.3 | Cn1ccnc1Sc1ccc2c(c1)CCN(S(=O)(=O)c1ccc3c(c1)CCO3)C2 | 10.1021/acs.jmedchem.2c00192 | ||
| 118719481 | 234479 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 438 | 3 | 0 | 3 | 3.9 | COc1cc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)ccc1F | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3353269 | 234479 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 438 | 3 | 0 | 3 | 3.9 | COc1cc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)ccc1F | 10.1016/j.bmcl.2014.11.082 | ||
| 168272850 | 373746 | 0 | None | 2 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 427 | 4 | 0 | 6 | 3.3 | Cn1ccnc1Sc1ccc2c(c1)CCN(S(=O)(=O)c1ccc3c(c1)CCO3)C2 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5181618 | 373746 | 0 | None | 2 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 427 | 4 | 0 | 6 | 3.3 | Cn1ccnc1Sc1ccc2c(c1)CCN(S(=O)(=O)c1ccc3c(c1)CCO3)C2 | 10.1021/acs.jmedchem.2c00192 | ||
| 168271588 | 373300 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 371 | 2 | 0 | 5 | 1.8 | Cn1ccnc1C#CC1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5174465 | 373300 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 371 | 2 | 0 | 5 | 1.8 | Cn1ccnc1C#CC1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 168798012 | 392309 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 374 | 3 | 0 | 7 | 1.6 | Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2cnn(C)c2C)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5594377 | 392309 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 374 | 3 | 0 | 7 | 1.6 | Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2cnn(C)c2C)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| 168798012 | 392309 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 374 | 3 | 0 | 7 | 1.6 | Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2cnn(C)c2C)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5594377 | 392309 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 374 | 3 | 0 | 7 | 1.6 | Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2cnn(C)c2C)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| 16831319 | 385207 | 9 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 441 | 4 | 1 | 6 | 4.1 | O=C(Nc1ccc2scnc2c1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 | 10.1016/j.bmcl.2022.128988 | ||
| CHEMBL5218505 | 385207 | 9 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 441 | 4 | 1 | 6 | 4.1 | O=C(Nc1ccc2scnc2c1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 | 10.1016/j.bmcl.2022.128988 | ||
| 168797945 | 392335 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 395 | 3 | 0 | 8 | 1.4 | Cc1nc2ncnn2cc1C1CCN(S(=O)(=O)c2cnn(C)c2Cl)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5594745 | 392335 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 395 | 3 | 0 | 8 | 1.4 | Cc1nc2ncnn2cc1C1CCN(S(=O)(=O)c2cnn(C)c2Cl)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| 71598521 | 5238 | 24 | None | 1 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 424 | 2 | 0 | 2 | 4.4 | Clc1ccc(cc1)[C@]12N(CCN1C(=O)c1c2cccc1)C(=O)c1ccc(c(c1)F)F | 10.1016/j.bmcl.2016.07.071 | ||
| 7631 | 5238 | 24 | None | 1 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 424 | 2 | 0 | 2 | 4.4 | Clc1ccc(cc1)[C@]12N(CCN1C(=O)c1c2cccc1)C(=O)c1ccc(c(c1)F)F | 10.1016/j.bmcl.2016.07.071 | ||
| CHEMBL3105228 | 5238 | 24 | None | 1 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 424 | 2 | 0 | 2 | 4.4 | Clc1ccc(cc1)[C@]12N(CCN1C(=O)c1c2cccc1)C(=O)c1ccc(c(c1)F)F | 10.1016/j.bmcl.2016.07.071 | ||
| 71598521 | 5238 | 24 | None | 1 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 424 | 2 | 0 | 2 | 4.4 | Clc1ccc(cc1)[C@]12N(CCN1C(=O)c1c2cccc1)C(=O)c1ccc(c(c1)F)F | 10.1021/jm4013246 | ||
| 7631 | 5238 | 24 | None | 1 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 424 | 2 | 0 | 2 | 4.4 | Clc1ccc(cc1)[C@]12N(CCN1C(=O)c1c2cccc1)C(=O)c1ccc(c(c1)F)F | 10.1021/jm4013246 | ||
| CHEMBL3105228 | 5238 | 24 | None | 1 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 424 | 2 | 0 | 2 | 4.4 | Clc1ccc(cc1)[C@]12N(CCN1C(=O)c1c2cccc1)C(=O)c1ccc(c(c1)F)F | 10.1021/jm4013246 | ||
| 71607080 | 214392 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 488 | 3 | 0 | 3 | 5.8 | O=C(c1ccc(SC(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1021/jm4013246 | ||
| CHEMBL3105210 | 214392 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 488 | 3 | 0 | 3 | 5.8 | O=C(c1ccc(SC(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1021/jm4013246 | ||
| 137645753 | 313565 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 477 | 3 | 0 | 3 | 4.3 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CC[C@@H](F)C2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4081565 | 313565 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 477 | 3 | 0 | 3 | 4.3 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CC[C@@H](F)C2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| 71607089 | 214386 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 422 | 2 | 0 | 2 | 4.5 | O=C(c1cccc(C(F)(F)F)c1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| CHEMBL3105205 | 214386 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 422 | 2 | 0 | 2 | 4.5 | O=C(c1cccc(C(F)(F)F)c1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| 71607080 | 214392 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 488 | 3 | 0 | 3 | 5.8 | O=C(c1ccc(SC(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1021/jm4013246 | ||
| CHEMBL3105210 | 214392 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 488 | 3 | 0 | 3 | 5.8 | O=C(c1ccc(SC(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1021/jm4013246 | ||
| 71607089 | 214386 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 422 | 2 | 0 | 2 | 4.5 | O=C(c1cccc(C(F)(F)F)c1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| CHEMBL3105205 | 214386 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 422 | 2 | 0 | 2 | 4.5 | O=C(c1cccc(C(F)(F)F)c1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| 168797517 | 392167 | 0 | None | -5 | 2 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 374 | 3 | 0 | 7 | 1.6 | Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2cn(C)nc2C)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5591763 | 392167 | 0 | None | -5 | 2 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 374 | 3 | 0 | 7 | 1.6 | Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2cn(C)nc2C)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| 162523094 | 385220 | 0 | None | 4 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 419 | 4 | 1 | 7 | 2.4 | Cc1nn(C)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc3scnc3c2)CC1 | 10.1016/j.bmcl.2022.128988 | ||
| CHEMBL5218950 | 385220 | 0 | None | 4 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 419 | 4 | 1 | 7 | 2.4 | Cc1nn(C)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc3scnc3c2)CC1 | 10.1016/j.bmcl.2022.128988 | ||
| 168298793 | 385214 | 0 | None | 1 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 437 | 4 | 1 | 7 | 2.3 | Cc1nn(C)cc1S(=O)(=O)N1CC[C@H](C(=O)Nc2ccc3scnc3c2)[C@@H](F)C1 | 10.1016/j.bmcl.2022.128988 | ||
| CHEMBL5218639 | 385214 | 0 | None | 1 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 437 | 4 | 1 | 7 | 2.3 | Cc1nn(C)cc1S(=O)(=O)N1CC[C@H](C(=O)Nc2ccc3scnc3c2)[C@@H](F)C1 | 10.1016/j.bmcl.2022.128988 | ||
| 137645753 | 313565 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 477 | 3 | 0 | 3 | 4.3 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CC[C@@H](F)C2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4081565 | 313565 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 477 | 3 | 0 | 3 | 4.3 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CC[C@@H](F)C2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| 168797945 | 392335 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 395 | 3 | 0 | 8 | 1.4 | Cc1nc2ncnn2cc1C1CCN(S(=O)(=O)c2cnn(C)c2Cl)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5594745 | 392335 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 395 | 3 | 0 | 8 | 1.4 | Cc1nc2ncnn2cc1C1CCN(S(=O)(=O)c2cnn(C)c2Cl)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| 49731760 | 373861 | 9 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 443 | 4 | 0 | 7 | 3.9 | O=C(Cn1c(=O)oc2ccccc21)N1CCC(Oc2nc3c(Cl)cccc3s2)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5183459 | 373861 | 9 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 443 | 4 | 0 | 7 | 3.9 | O=C(Cn1c(=O)oc2ccccc21)N1CCC(Oc2nc3c(Cl)cccc3s2)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 118719496 | 234493 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 460 | 5 | 0 | 4 | 4.4 | COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(OC(C)C)cc2)cc1F | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3353284 | 234493 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 460 | 5 | 0 | 4 | 4.4 | COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(OC(C)C)cc2)cc1F | 10.1016/j.bmcl.2014.11.082 | ||
| 118724911 | 235401 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 434 | 4 | 0 | 3 | 4.2 | CCOc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3361338 | 235401 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 434 | 4 | 0 | 3 | 4.2 | CCOc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| 168291835 | 374915 | 0 | None | -1 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 421 | 6 | 0 | 6 | 3.3 | CCC(Sc1nccn1C)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5199408 | 374915 | 0 | None | -1 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 421 | 6 | 0 | 6 | 3.3 | CCC(Sc1nccn1C)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL4519018 | 478300 | 7 | None | -1 | 3 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 308 | 2 | 1 | 2 | 3.9 | CN1C2CCCC1CC(Nc1ccccc1Br)C2 | 10.1021/acs.jmedchem.2c01562 | ||
| 168291835 | 374915 | 0 | None | -1 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 421 | 6 | 0 | 6 | 3.3 | CCC(Sc1nccn1C)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5199408 | 374915 | 0 | None | -1 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 421 | 6 | 0 | 6 | 3.3 | CCC(Sc1nccn1C)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 118719478 | 234476 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 438 | 3 | 0 | 3 | 3.9 | COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)cc1F | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3353266 | 234476 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 438 | 3 | 0 | 3 | 3.9 | COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)cc1F | 10.1016/j.bmcl.2014.11.082 | ||
| 118719497 | 234494 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 476 | 5 | 0 | 4 | 4.9 | COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(OC(C)C)cc2)cc1Cl | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3353285 | 234494 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 476 | 5 | 0 | 4 | 4.9 | COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(OC(C)C)cc2)cc1Cl | 10.1016/j.bmcl.2014.11.082 | ||
| 137638421 | 312802 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 541 | 3 | 0 | 3 | 5.6 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCC(C(F)(F)F)CC2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4072027 | 312802 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 541 | 3 | 0 | 3 | 5.6 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCC(C(F)(F)F)CC2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| 137638421 | 312802 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 541 | 3 | 0 | 3 | 5.6 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCC(C(F)(F)F)CC2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4072027 | 312802 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 541 | 3 | 0 | 3 | 5.6 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCC(C(F)(F)F)CC2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| 137660071 | 315250 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 536 | 4 | 0 | 4 | 5.5 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCC[C@H]2c2cccnc2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4100810 | 315250 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 536 | 4 | 0 | 4 | 5.5 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCC[C@H]2c2cccnc2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| 71607090 | 214397 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 452 | 3 | 0 | 3 | 4.7 | Cc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(OC(F)(F)F)cc2)cc1 | 10.1021/jm4013246 | ||
| CHEMBL3105221 | 214397 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 452 | 3 | 0 | 3 | 4.7 | Cc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(OC(F)(F)F)cc2)cc1 | 10.1021/jm4013246 | ||
| 5189681 | 81334 | 17 | None | 1 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 372 | 2 | 0 | 2 | 3.6 | O=C(c1ccc(F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| CHEMBL1459098 | 81334 | 17 | None | 1 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 372 | 2 | 0 | 2 | 3.6 | O=C(c1ccc(F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| 168797916 | 392349 | 0 | None | -2 | 4 | Rat | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 381 | 3 | 0 | 7 | 2.2 | Cc1ncc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3Cl)CC2)o1 | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5594872 | 392349 | 0 | None | -2 | 4 | Rat | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 381 | 3 | 0 | 7 | 2.2 | Cc1ncc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3Cl)CC2)o1 | 10.1021/acs.jmedchem.4c01193 | ||
| 164673826 | 375210 | 16 | None | -16 | 4 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 411 | 5 | 0 | 6 | 2.5 | Cn1ccnc1SC[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@@H]1F | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5204021 | 375210 | 16 | None | -16 | 4 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 411 | 5 | 0 | 6 | 2.5 | Cn1ccnc1SC[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@@H]1F | 10.1021/acs.jmedchem.2c00192 | ||
| 1392038 | 22766 | 6 | None | -1 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 357 | 4 | 1 | 3 | 4.0 | CCN1CCN(c2ccc(NC(=O)c3cccc(C)c3)cc2Cl)CC1 | 10.1016/j.bmcl.2010.02.041 | ||
| CHEMBL1093775 | 22766 | 6 | None | -1 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 357 | 4 | 1 | 3 | 4.0 | CCN1CCN(c2ccc(NC(=O)c3cccc(C)c3)cc2Cl)CC1 | 10.1016/j.bmcl.2010.02.041 | ||
| 137660071 | 315250 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 536 | 4 | 0 | 4 | 5.5 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCC[C@H]2c2cccnc2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4100810 | 315250 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 536 | 4 | 0 | 4 | 5.5 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCC[C@H]2c2cccnc2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| 71607090 | 214397 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 452 | 3 | 0 | 3 | 4.7 | Cc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(OC(F)(F)F)cc2)cc1 | 10.1021/jm4013246 | ||
| CHEMBL3105221 | 214397 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 452 | 3 | 0 | 3 | 4.7 | Cc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(OC(F)(F)F)cc2)cc1 | 10.1021/jm4013246 | ||
| 168278290 | 374197 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 407 | 5 | 0 | 6 | 2.9 | C[C@H]1C[C@@H](CSc2nccn2C)CCN1S(=O)(=O)c1ccc2c(c1)CCO2 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5188042 | 374197 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 407 | 5 | 0 | 6 | 2.9 | C[C@H]1C[C@@H](CSc2nccn2C)CCN1S(=O)(=O)c1ccc2c(c1)CCO2 | 10.1021/acs.jmedchem.2c00192 | ||
| 168278290 | 374197 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 407 | 5 | 0 | 6 | 2.9 | C[C@H]1C[C@@H](CSc2nccn2C)CCN1S(=O)(=O)c1ccc2c(c1)CCO2 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5188042 | 374197 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 407 | 5 | 0 | 6 | 2.9 | C[C@H]1C[C@@H](CSc2nccn2C)CCN1S(=O)(=O)c1ccc2c(c1)CCO2 | 10.1021/acs.jmedchem.2c00192 | ||
| 164673826 | 375210 | 16 | None | -16 | 4 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 411 | 5 | 0 | 6 | 2.5 | Cn1ccnc1SC[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@@H]1F | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5204021 | 375210 | 16 | None | -16 | 4 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 411 | 5 | 0 | 6 | 2.5 | Cn1ccnc1SC[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@@H]1F | 10.1021/acs.jmedchem.2c00192 | ||
| 164673826 | 375210 | 16 | None | -16 | 4 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 411 | 5 | 0 | 6 | 2.5 | Cn1ccnc1SC[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@@H]1F | 10.1016/j.bmcl.2022.128988 | ||
| CHEMBL5204021 | 375210 | 16 | None | -16 | 4 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 411 | 5 | 0 | 6 | 2.5 | Cn1ccnc1SC[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@@H]1F | 10.1016/j.bmcl.2022.128988 | ||
| 168283551 | 374182 | 0 | None | -2 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 395 | 3 | 0 | 5 | 2.8 | Cn1ccnc1-c1ccc2c(c1)CCN(S(=O)(=O)c1ccc3c(c1)CCO3)C2 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5187886 | 374182 | 0 | None | -2 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 395 | 3 | 0 | 5 | 2.8 | Cn1ccnc1-c1ccc2c(c1)CCN(S(=O)(=O)c1ccc3c(c1)CCO3)C2 | 10.1021/acs.jmedchem.2c00192 | ||
| 168283551 | 374182 | 0 | None | -2 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 395 | 3 | 0 | 5 | 2.8 | Cn1ccnc1-c1ccc2c(c1)CCN(S(=O)(=O)c1ccc3c(c1)CCO3)C2 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5187886 | 374182 | 0 | None | -2 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 395 | 3 | 0 | 5 | 2.8 | Cn1ccnc1-c1ccc2c(c1)CCN(S(=O)(=O)c1ccc3c(c1)CCO3)C2 | 10.1021/acs.jmedchem.2c00192 | ||
| 168798158 | 392203 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 388 | 3 | 0 | 7 | 2.0 | Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2c(C)nn(C)c2C)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5592522 | 392203 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 388 | 3 | 0 | 7 | 2.0 | Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2c(C)nn(C)c2C)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| 71607111 | 214388 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 390 | 2 | 0 | 2 | 3.8 | O=C(c1cc(F)cc(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| CHEMBL3105207 | 214388 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 390 | 2 | 0 | 2 | 3.8 | O=C(c1cc(F)cc(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| 71607111 | 214388 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 390 | 2 | 0 | 2 | 3.8 | O=C(c1cc(F)cc(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| CHEMBL3105207 | 214388 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 390 | 2 | 0 | 2 | 3.8 | O=C(c1cc(F)cc(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| 162360963 | 392162 | 0 | None | 5 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 413 | 4 | 1 | 8 | 1.9 | O=S(=O)(c1cnc(CO)s1)N1CCC(c2cn3ncnc3cc2Cl)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5591601 | 392162 | 0 | None | 5 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 413 | 4 | 1 | 8 | 1.9 | O=S(=O)(c1cnc(CO)s1)N1CCC(c2cn3ncnc3cc2Cl)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| 71806339 | 348077 | 10 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 331 | 2 | 0 | 6 | 1.3 | Cc1nn(C)c(C)c1S(=O)(=O)N1CCC2(CC1)OCCS2 | 10.1016/j.bmcl.2016.07.071 | ||
| CHEMBL4542697 | 348077 | 10 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 331 | 2 | 0 | 6 | 1.3 | Cc1nn(C)c(C)c1S(=O)(=O)N1CCC2(CC1)OCCS2 | 10.1016/j.bmcl.2016.07.071 | ||
| 168288097 | 374762 | 0 | None | 1 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 411 | 5 | 0 | 6 | 2.6 | Cn1ccnc1SCC1(F)CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5196917 | 374762 | 0 | None | 1 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 411 | 5 | 0 | 6 | 2.6 | Cn1ccnc1SCC1(F)CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 168798158 | 392203 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 388 | 3 | 0 | 7 | 2.0 | Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2c(C)nn(C)c2C)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5592522 | 392203 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 388 | 3 | 0 | 7 | 2.0 | Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2c(C)nn(C)c2C)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| 168288097 | 374762 | 0 | None | 1 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 411 | 5 | 0 | 6 | 2.6 | Cn1ccnc1SCC1(F)CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5196917 | 374762 | 0 | None | 1 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 411 | 5 | 0 | 6 | 2.6 | Cn1ccnc1SCC1(F)CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 10092649 | 385614 | 38 | None | -8 | 10 | Rat | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| CHEMBL522460 | 385614 | 38 | None | -8 | 10 | Rat | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| 137648229 | 313867 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 487 | 3 | 0 | 3 | 5.0 | CC1CCCN(c2ccc([C@@]34c5ccccc5C(=O)N3CCN4C(=O)c3ccc(F)c(F)c3)cc2)C1 | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4085038 | 313867 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 487 | 3 | 0 | 3 | 5.0 | CC1CCCN(c2ccc([C@@]34c5ccccc5C(=O)N3CCN4C(=O)c3ccc(F)c(F)c3)cc2)C1 | 10.1016/j.bmcl.2017.02.020 | ||
| 137648229 | 313867 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 487 | 3 | 0 | 3 | 5.0 | CC1CCCN(c2ccc([C@@]34c5ccccc5C(=O)N3CCN4C(=O)c3ccc(F)c(F)c3)cc2)C1 | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4085038 | 313867 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 487 | 3 | 0 | 3 | 5.0 | CC1CCCN(c2ccc([C@@]34c5ccccc5C(=O)N3CCN4C(=O)c3ccc(F)c(F)c3)cc2)C1 | 10.1016/j.bmcl.2017.02.020 | ||
| 71607051 | 214398 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 468 | 3 | 0 | 3 | 5.4 | Cc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(SC(F)(F)F)cc2)cc1 | 10.1021/jm4013246 | ||
| CHEMBL3105222 | 214398 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 468 | 3 | 0 | 3 | 5.4 | Cc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(SC(F)(F)F)cc2)cc1 | 10.1021/jm4013246 | ||
| 46883796 | 22210 | 0 | None | -1 | 4 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 411 | 4 | 1 | 3 | 4.8 | CCN1CCN(c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2Cl)CC1 | 10.1016/j.bmcl.2010.02.041 | ||
| CHEMBL1090096 | 22210 | 0 | None | -1 | 4 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 411 | 4 | 1 | 3 | 4.8 | CCN1CCN(c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2Cl)CC1 | 10.1016/j.bmcl.2010.02.041 | ||
| 46830362 | 22211 | 0 | None | -8 | 5 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 479 | 4 | 1 | 3 | 5.8 | CCN1CCN(c2ccc(NC(=O)c3cc(C(F)(F)F)ccc3C(F)(F)F)cc2Cl)CC1 | 10.1016/j.bmcl.2010.02.041 | ||
| CHEMBL1090097 | 22211 | 0 | None | -8 | 5 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 479 | 4 | 1 | 3 | 5.8 | CCN1CCN(c2ccc(NC(=O)c3cc(C(F)(F)F)ccc3C(F)(F)F)cc2Cl)CC1 | 10.1016/j.bmcl.2010.02.041 | ||
| 71607051 | 214398 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 468 | 3 | 0 | 3 | 5.4 | Cc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(SC(F)(F)F)cc2)cc1 | 10.1021/jm4013246 | ||
| CHEMBL3105222 | 214398 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 468 | 3 | 0 | 3 | 5.4 | Cc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(SC(F)(F)F)cc2)cc1 | 10.1021/jm4013246 | ||
| 118719493 | 234490 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 456 | 6 | 0 | 4 | 4.7 | CCOc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(OC(C)C)cc2)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3353281 | 234490 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 456 | 6 | 0 | 4 | 4.7 | CCOc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(OC(C)C)cc2)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| 162523096 | 385268 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 457 | 4 | 1 | 6 | 3.5 | C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)CCO3)CC[C@@H]1C(=O)Nc1ccc2scnc2c1 | 10.1016/j.bmcl.2022.128988 | ||
| CHEMBL5220200 | 385268 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 457 | 4 | 1 | 6 | 3.5 | C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)CCO3)CC[C@@H]1C(=O)Nc1ccc2scnc2c1 | 10.1016/j.bmcl.2022.128988 | ||
| 168797717 | 392177 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 420 | 4 | 0 | 7 | 2.6 | Cn1ncc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3C3CC3)CC2)c1Cl | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5592043 | 392177 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 420 | 4 | 0 | 7 | 2.6 | Cn1ncc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3C3CC3)CC2)c1Cl | 10.1021/acs.jmedchem.4c01193 | ||
| 168797717 | 392177 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 420 | 4 | 0 | 7 | 2.6 | Cn1ncc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3C3CC3)CC2)c1Cl | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5592043 | 392177 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 420 | 4 | 0 | 7 | 2.6 | Cn1ncc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3C3CC3)CC2)c1Cl | 10.1021/acs.jmedchem.4c01193 | ||
| 137656435 | 315438 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 491 | 3 | 0 | 3 | 4.7 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCC(F)CC2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4103187 | 315438 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 491 | 3 | 0 | 3 | 4.7 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCC(F)CC2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| 137656435 | 315438 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 491 | 3 | 0 | 3 | 4.7 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCC(F)CC2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4103187 | 315438 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 491 | 3 | 0 | 3 | 4.7 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCC(F)CC2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| 168797772 | 392055 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 357 | 3 | 0 | 6 | 2.0 | Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2cccnc2)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5589712 | 392055 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 357 | 3 | 0 | 6 | 2.0 | Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2cccnc2)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| 168797772 | 392055 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 357 | 3 | 0 | 6 | 2.0 | Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2cccnc2)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5589712 | 392055 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 357 | 3 | 0 | 6 | 2.0 | Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2cccnc2)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| 137643771 | 314303 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 521 | 3 | 0 | 3 | 5.9 | CC1Cc2ccccc2N1c1ccc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4090346 | 314303 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 521 | 3 | 0 | 3 | 5.9 | CC1Cc2ccccc2N1c1ccc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| 71607091 | 214383 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 438 | 3 | 0 | 3 | 4.4 | O=C(c1ccc(OC(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| CHEMBL3105202 | 214383 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 438 | 3 | 0 | 3 | 4.4 | O=C(c1ccc(OC(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| 71607091 | 214383 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 438 | 3 | 0 | 3 | 4.4 | O=C(c1ccc(OC(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| CHEMBL3105202 | 214383 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 438 | 3 | 0 | 3 | 4.4 | O=C(c1ccc(OC(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| 42519285 | 5242 | 26 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 379 | 7 | 0 | 6 | 3.7 | CN(C(=O)c1noc(c1)COc1cccc(c1)C(=O)C)[C@H](c1ccccn1)C | 10.1021/acs.jmedchem.4c01193 | ||
| 8591 | 5242 | 26 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 379 | 7 | 0 | 6 | 3.7 | CN(C(=O)c1noc(c1)COc1cccc(c1)C(=O)C)[C@H](c1ccccn1)C | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL3185781 | 5242 | 26 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 379 | 7 | 0 | 6 | 3.7 | CN(C(=O)c1noc(c1)COc1cccc(c1)C(=O)C)[C@H](c1ccccn1)C | 10.1021/acs.jmedchem.4c01193 | ||
| 42519285 | 5242 | 26 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 379 | 7 | 0 | 6 | 3.7 | CN(C(=O)c1noc(c1)COc1cccc(c1)C(=O)C)[C@H](c1ccccn1)C | 10.1021/acs.jmedchem.2c00192 | ||
| 8591 | 5242 | 26 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 379 | 7 | 0 | 6 | 3.7 | CN(C(=O)c1noc(c1)COc1cccc(c1)C(=O)C)[C@H](c1ccccn1)C | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL3185781 | 5242 | 26 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 379 | 7 | 0 | 6 | 3.7 | CN(C(=O)c1noc(c1)COc1cccc(c1)C(=O)C)[C@H](c1ccccn1)C | 10.1021/acs.jmedchem.2c00192 | ||
| 137643771 | 314303 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 521 | 3 | 0 | 3 | 5.9 | CC1Cc2ccccc2N1c1ccc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4090346 | 314303 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 521 | 3 | 0 | 3 | 5.9 | CC1Cc2ccccc2N1c1ccc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| 168797916 | 392349 | 0 | None | -1 | 4 | Mouse | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 381 | 3 | 0 | 7 | 2.2 | Cc1ncc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3Cl)CC2)o1 | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5594872 | 392349 | 0 | None | -1 | 4 | Mouse | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 381 | 3 | 0 | 7 | 2.2 | Cc1ncc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3Cl)CC2)o1 | 10.1021/acs.jmedchem.4c01193 | ||
| 71598549 | 212869 | 2 | None | 2 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 424 | 2 | 0 | 2 | 4.4 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1021/jm4013246 | ||
| CHEMBL3105213 | 212869 | 2 | None | 2 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 424 | 2 | 0 | 2 | 4.4 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1021/jm4013246 | ||
| 71598549 | 212869 | 2 | None | 2 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 424 | 2 | 0 | 2 | 4.4 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3105213 | 212869 | 2 | None | 2 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 424 | 2 | 0 | 2 | 4.4 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| 71598549 | 212869 | 2 | None | 2 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 424 | 2 | 0 | 2 | 4.4 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1021/jm4013246 | ||
| CHEMBL3105213 | 212869 | 2 | None | 2 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 424 | 2 | 0 | 2 | 4.4 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1021/jm4013246 | ||
| 71598549 | 212869 | 2 | None | 2 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 424 | 2 | 0 | 2 | 4.4 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3105213 | 212869 | 2 | None | 2 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 424 | 2 | 0 | 2 | 4.4 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| 10092649 | 385614 | 38 | None | -10 | 10 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| CHEMBL522460 | 385614 | 38 | None | -10 | 10 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| 71607137 | 214393 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 456 | 2 | 0 | 2 | 5.2 | O=C(c1cccc(C(F)(F)F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1021/jm4013246 | ||
| CHEMBL3105211 | 214393 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 456 | 2 | 0 | 2 | 5.2 | O=C(c1cccc(C(F)(F)F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1021/jm4013246 | ||
| 167434636 | 392325 | 0 | None | 1 | 4 | Mouse | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 397 | 3 | 0 | 7 | 2.7 | Cc1ncc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3Cl)CC2)s1 | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5594532 | 392325 | 0 | None | 1 | 4 | Mouse | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 397 | 3 | 0 | 7 | 2.7 | Cc1ncc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3Cl)CC2)s1 | 10.1021/acs.jmedchem.4c01193 | ||
| 53303986 | 156016 | 0 | None | -1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 345 | 6 | 2 | 4 | 2.2 | CCOC(=O)N1[C@H]2CC[C@@H]1C[C@H](NCCNC(=O)c1ccccc1)C2 | 10.1016/j.bmcl.2012.03.088 | ||
| CHEMBL2024407 | 156016 | 0 | None | -1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 345 | 6 | 2 | 4 | 2.2 | CCOC(=O)N1[C@H]2CC[C@@H]1C[C@H](NCCNC(=O)c1ccccc1)C2 | 10.1016/j.bmcl.2012.03.088 | ||
| 10092649 | 385614 | 38 | None | -10 | 10 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| CHEMBL522460 | 385614 | 38 | None | -10 | 10 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| 71607137 | 214393 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 456 | 2 | 0 | 2 | 5.2 | O=C(c1cccc(C(F)(F)F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1021/jm4013246 | ||
| CHEMBL3105211 | 214393 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 456 | 2 | 0 | 2 | 5.2 | O=C(c1cccc(C(F)(F)F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1021/jm4013246 | ||
| 167434636 | 392325 | 0 | None | -1 | 4 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 397 | 3 | 0 | 7 | 2.7 | Cc1ncc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3Cl)CC2)s1 | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5594532 | 392325 | 0 | None | -1 | 4 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 397 | 3 | 0 | 7 | 2.7 | Cc1ncc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3Cl)CC2)s1 | 10.1021/acs.jmedchem.4c01193 | ||
| 168797916 | 392349 | 0 | None | -2 | 4 | Rat | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 381 | 3 | 0 | 7 | 2.2 | Cc1ncc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3Cl)CC2)o1 | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5594872 | 392349 | 0 | None | -2 | 4 | Rat | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 381 | 3 | 0 | 7 | 2.2 | Cc1ncc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3Cl)CC2)o1 | 10.1021/acs.jmedchem.4c01193 | ||
| 137637944 | 311745 | 0 | None | -5 | 5 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 450 | 4 | 0 | 5 | 4.3 | O=C(C1CCN(c2cc(Oc3ccc(F)cc3F)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| CHEMBL4059829 | 311745 | 0 | None | -5 | 5 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 450 | 4 | 0 | 5 | 4.3 | O=C(C1CCN(c2cc(Oc3ccc(F)cc3F)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| 118719489 | 234486 | 0 | None | 1 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 452 | 3 | 0 | 3 | 4.2 | COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)c(F)c(F)c2)cc1C | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3353277 | 234486 | 0 | None | 1 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 452 | 3 | 0 | 3 | 4.2 | COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)c(F)c(F)c2)cc1C | 10.1016/j.bmcl.2014.11.082 | ||
| 168798140 | 391964 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 410 | 4 | 0 | 8 | 1.7 | COc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2cnn(C)c2Cl)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5583897 | 391964 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 410 | 4 | 0 | 8 | 1.7 | COc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2cnn(C)c2Cl)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| 118719489 | 234486 | 0 | None | 1 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 452 | 3 | 0 | 3 | 4.2 | COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)c(F)c(F)c2)cc1C | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3353277 | 234486 | 0 | None | 1 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 452 | 3 | 0 | 3 | 4.2 | COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)c(F)c(F)c2)cc1C | 10.1016/j.bmcl.2014.11.082 | ||
| 118719502 | 234499 | 0 | None | -2 | 2 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 452 | 3 | 0 | 3 | 4.2 | COc1ccc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)c(F)c(F)c2)cc1C | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3353290 | 234499 | 0 | None | -2 | 2 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 452 | 3 | 0 | 3 | 4.2 | COc1ccc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)c(F)c(F)c2)cc1C | 10.1016/j.bmcl.2014.11.082 | ||
| 49665121 | 335014 | 11 | None | -5 | 3 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 384 | 4 | 0 | 8 | 3.4 | Fc1cc(F)cc(-c2nnc(Cc3nc(-c4ccc5c(c4)OCO5)no3)o2)c1 | 10.1016/j.bmcl.2016.07.071 | ||
| CHEMBL4448840 | 335014 | 11 | None | -5 | 3 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 384 | 4 | 0 | 8 | 3.4 | Fc1cc(F)cc(-c2nnc(Cc3nc(-c4ccc5c(c4)OCO5)no3)o2)c1 | 10.1016/j.bmcl.2016.07.071 | ||
| 168798140 | 391964 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 410 | 4 | 0 | 8 | 1.7 | COc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2cnn(C)c2Cl)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5583897 | 391964 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 410 | 4 | 0 | 8 | 1.7 | COc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2cnn(C)c2Cl)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| 168797561 | 392104 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 396 | 3 | 1 | 6 | 2.5 | Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2ccc3nc[nH]c3c2)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5590572 | 392104 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 396 | 3 | 1 | 6 | 2.5 | Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2ccc3nc[nH]c3c2)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| 168296572 | 375429 | 0 | None | 4 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 411 | 5 | 0 | 7 | 3.0 | Cc1nnc(SCC2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)s1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5207808 | 375429 | 0 | None | 4 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 411 | 5 | 0 | 7 | 3.0 | Cc1nnc(SCC2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)s1 | 10.1021/acs.jmedchem.2c00192 | ||
| 168797561 | 392104 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 396 | 3 | 1 | 6 | 2.5 | Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2ccc3nc[nH]c3c2)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5590572 | 392104 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 396 | 3 | 1 | 6 | 2.5 | Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2ccc3nc[nH]c3c2)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| 168296572 | 375429 | 0 | None | 4 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 411 | 5 | 0 | 7 | 3.0 | Cc1nnc(SCC2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)s1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5207808 | 375429 | 0 | None | 4 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 411 | 5 | 0 | 7 | 3.0 | Cc1nnc(SCC2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)s1 | 10.1021/acs.jmedchem.2c00192 | ||
| 168798185 | 391990 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 448 | 3 | 0 | 7 | 2.7 | Cn1ncc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3C(F)(F)F)CC2)c1Cl | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5584126 | 391990 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 448 | 3 | 0 | 7 | 2.7 | Cn1ncc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3C(F)(F)F)CC2)c1Cl | 10.1021/acs.jmedchem.4c01193 | ||
| 71800908 | 374851 | 9 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 433 | 5 | 0 | 5 | 4.2 | Cc1cc(S(=O)(=O)N2CCC(CSc3nccn3C)CC2)c(Cl)cc1Cl | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5198257 | 374851 | 9 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 433 | 5 | 0 | 5 | 4.2 | Cc1cc(S(=O)(=O)N2CCC(CSc3nccn3C)CC2)c(Cl)cc1Cl | 10.1021/acs.jmedchem.2c00192 | ||
| 168797733 | 392095 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 407 | 3 | 0 | 6 | 3.2 | Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2ccc3ncccc3c2)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5590437 | 392095 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 407 | 3 | 0 | 6 | 3.2 | Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2ccc3ncccc3c2)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| 168797733 | 392095 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 407 | 3 | 0 | 6 | 3.2 | Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2ccc3ncccc3c2)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5590437 | 392095 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 407 | 3 | 0 | 6 | 3.2 | Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2ccc3ncccc3c2)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| 168271275 | 373607 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 408 | 5 | 0 | 7 | 3.2 | Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3ncsc3c2)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5179490 | 373607 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 408 | 5 | 0 | 7 | 3.2 | Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3ncsc3c2)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 168294879 | 375332 | 0 | None | -2 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 461 | 5 | 0 | 6 | 3.5 | Cn1ccnc1SC(C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1)C(F)(F)F | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5206112 | 375332 | 0 | None | -2 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 461 | 5 | 0 | 6 | 3.5 | Cn1ccnc1SC(C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1)C(F)(F)F | 10.1021/acs.jmedchem.2c00192 | ||
| 168798185 | 391990 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 448 | 3 | 0 | 7 | 2.7 | Cn1ncc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3C(F)(F)F)CC2)c1Cl | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5584126 | 391990 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 448 | 3 | 0 | 7 | 2.7 | Cn1ncc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3C(F)(F)F)CC2)c1Cl | 10.1021/acs.jmedchem.4c01193 | ||
| 118719479 | 234477 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 454 | 3 | 0 | 3 | 4.4 | COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)cc1Cl | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3353267 | 234477 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 454 | 3 | 0 | 3 | 4.4 | COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)cc1Cl | 10.1016/j.bmcl.2014.11.082 | ||
| 118724900 | 235396 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 420 | 3 | 0 | 3 | 3.8 | COc1ccccc1C12c3ccccc3C(=O)N1CCN2C(=O)c1ccc(F)c(F)c1 | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3361326 | 235396 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 420 | 3 | 0 | 3 | 3.8 | COc1ccccc1C12c3ccccc3C(=O)N1CCN2C(=O)c1ccc(F)c(F)c1 | 10.1016/j.bmcl.2014.11.082 | ||
| 168294879 | 375332 | 0 | None | -2 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 461 | 5 | 0 | 6 | 3.5 | Cn1ccnc1SC(C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1)C(F)(F)F | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5206112 | 375332 | 0 | None | -2 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 461 | 5 | 0 | 6 | 3.5 | Cn1ccnc1SC(C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1)C(F)(F)F | 10.1021/acs.jmedchem.2c00192 | ||
| 168271275 | 373607 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 408 | 5 | 0 | 7 | 3.2 | Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3ncsc3c2)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5179490 | 373607 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 408 | 5 | 0 | 7 | 3.2 | Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3ncsc3c2)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 118724900 | 235396 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 420 | 3 | 0 | 3 | 3.8 | COc1ccccc1C12c3ccccc3C(=O)N1CCN2C(=O)c1ccc(F)c(F)c1 | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3361326 | 235396 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 420 | 3 | 0 | 3 | 3.8 | COc1ccccc1C12c3ccccc3C(=O)N1CCN2C(=O)c1ccc(F)c(F)c1 | 10.1016/j.bmcl.2014.11.082 | ||
| 5189681 | 81334 | 17 | None | -1 | 2 | Rat | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 372 | 2 | 0 | 2 | 3.6 | O=C(c1ccc(F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| CHEMBL1459098 | 81334 | 17 | None | -1 | 2 | Rat | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 372 | 2 | 0 | 2 | 3.6 | O=C(c1ccc(F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| 137641540 | 313992 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 541 | 3 | 0 | 3 | 5.7 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCCCC2C(F)(F)F)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4086766 | 313992 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 541 | 3 | 0 | 3 | 5.7 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCCCC2C(F)(F)F)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| 168298793 | 385214 | 0 | None | -1 | 2 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 437 | 4 | 1 | 7 | 2.3 | Cc1nn(C)cc1S(=O)(=O)N1CC[C@H](C(=O)Nc2ccc3scnc3c2)[C@@H](F)C1 | 10.1016/j.bmcl.2022.128988 | ||
| CHEMBL5218639 | 385214 | 0 | None | -1 | 2 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 437 | 4 | 1 | 7 | 2.3 | Cc1nn(C)cc1S(=O)(=O)N1CC[C@H](C(=O)Nc2ccc3scnc3c2)[C@@H](F)C1 | 10.1016/j.bmcl.2022.128988 | ||
| 71607121 | 214387 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 422 | 2 | 0 | 2 | 4.8 | O=C(c1cc(Cl)cc(Cl)c1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| CHEMBL3105206 | 214387 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 422 | 2 | 0 | 2 | 4.8 | O=C(c1cc(Cl)cc(Cl)c1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| 71607121 | 214387 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 422 | 2 | 0 | 2 | 4.8 | O=C(c1cc(Cl)cc(Cl)c1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| CHEMBL3105206 | 214387 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 422 | 2 | 0 | 2 | 4.8 | O=C(c1cc(Cl)cc(Cl)c1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| 168797517 | 392167 | 0 | None | 5 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 374 | 3 | 0 | 7 | 1.6 | Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2cn(C)nc2C)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5591763 | 392167 | 0 | None | 5 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 374 | 3 | 0 | 7 | 1.6 | Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2cn(C)nc2C)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| 118724897 | 235395 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 407 | 2 | 0 | 3 | 3.7 | O=C(c1ccnc(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3361323 | 235395 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 407 | 2 | 0 | 3 | 3.7 | O=C(c1ccnc(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| 118724897 | 235395 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 407 | 2 | 0 | 3 | 3.7 | O=C(c1ccnc(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3361323 | 235395 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 407 | 2 | 0 | 3 | 3.7 | O=C(c1ccnc(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| 168797517 | 392167 | 0 | None | 5 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 374 | 3 | 0 | 7 | 1.6 | Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2cn(C)nc2C)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5591763 | 392167 | 0 | None | 5 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 374 | 3 | 0 | 7 | 1.6 | Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2cn(C)nc2C)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| 162522996 | 385233 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 402 | 4 | 1 | 6 | 2.7 | O=C(Nc1ccc2scnc2c1)C1CCN(S(=O)(=O)c2cccnc2)CC1 | 10.1016/j.bmcl.2022.128988 | ||
| CHEMBL5219163 | 385233 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 402 | 4 | 1 | 6 | 2.7 | O=C(Nc1ccc2scnc2c1)C1CCN(S(=O)(=O)c2cccnc2)CC1 | 10.1016/j.bmcl.2022.128988 | ||
| 162523075 | 385223 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 457 | 4 | 1 | 6 | 3.6 | Cc1nc2cc(NC(=O)C3CCN(S(=O)(=O)c4ccc5c(c4)CCO5)CC3)ccc2s1 | 10.1016/j.bmcl.2022.128988 | ||
| CHEMBL5219008 | 385223 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 457 | 4 | 1 | 6 | 3.6 | Cc1nc2cc(NC(=O)C3CCN(S(=O)(=O)c4ccc5c(c4)CCO5)CC3)ccc2s1 | 10.1016/j.bmcl.2022.128988 | ||
| 137632697 | 312453 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 473 | 3 | 0 | 3 | 4.8 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCCCC2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4068043 | 312453 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 473 | 3 | 0 | 3 | 4.8 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCCCC2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| 137632697 | 312453 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 473 | 3 | 0 | 3 | 4.8 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCCCC2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4068043 | 312453 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 473 | 3 | 0 | 3 | 4.8 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCCCC2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| 118724896 | 235394 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 442 | 2 | 0 | 2 | 4.6 | O=C(c1cc(F)c(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3361320 | 235394 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 442 | 2 | 0 | 2 | 4.6 | O=C(c1cc(F)c(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| 118724896 | 235394 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 442 | 2 | 0 | 2 | 4.6 | O=C(c1cc(F)c(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3361320 | 235394 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 442 | 2 | 0 | 2 | 4.6 | O=C(c1cc(F)c(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| 11584660 | 184062 | 7 | None | -3 | 5 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 537 | 7 | 0 | 8 | 5.6 | Cc1ccc2c(-c3nnc(SCCCN4CCc5ccc(-c6cc(C)nn6C)cc5CC4)n3C)cccc2n1 | 10.1021/jm0705612 | ||
| CHEMBL244946 | 184062 | 7 | None | -3 | 5 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 537 | 7 | 0 | 8 | 5.6 | Cc1ccc2c(-c3nnc(SCCCN4CCc5ccc(-c6cc(C)nn6C)cc5CC4)n3C)cccc2n1 | 10.1021/jm0705612 | ||
| 137650577 | 313341 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 491 | 3 | 0 | 3 | 4.7 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCCC(F)C2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4078908 | 313341 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 491 | 3 | 0 | 3 | 4.7 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCCC(F)C2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| 137650577 | 313341 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 491 | 3 | 0 | 3 | 4.7 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCCC(F)C2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4078908 | 313341 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 491 | 3 | 0 | 3 | 4.7 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCCC(F)C2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| 118719500 | 234497 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 476 | 5 | 0 | 4 | 4.9 | COc1cc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(OC(C)C)cc2)ccc1Cl | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3353288 | 234497 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 476 | 5 | 0 | 4 | 4.9 | COc1cc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(OC(C)C)cc2)ccc1Cl | 10.1016/j.bmcl.2014.11.082 | ||
| 52176747 | 314886 | 0 | None | -15 | 8 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 435 | 4 | 0 | 6 | 3.0 | C[C@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)nn1 | 10.1016/j.bmcl.2017.05.042 | ||
| CHEMBL4096727 | 314886 | 0 | None | -15 | 8 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 435 | 4 | 0 | 6 | 3.0 | C[C@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)nn1 | 10.1016/j.bmcl.2017.05.042 | ||
| 71806339 | 348077 | 10 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 331 | 2 | 0 | 6 | 1.3 | Cc1nn(C)c(C)c1S(=O)(=O)N1CCC2(CC1)OCCS2 | 10.1016/j.bmcl.2016.07.071 | ||
| CHEMBL4542697 | 348077 | 10 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 331 | 2 | 0 | 6 | 1.3 | Cc1nn(C)c(C)c1S(=O)(=O)N1CCC2(CC1)OCCS2 | 10.1016/j.bmcl.2016.07.071 | ||
| 3810205 | 235390 | 12 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 418 | 3 | 0 | 3 | 4.2 | COc1cccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(Cl)cc2)c1 | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3361316 | 235390 | 12 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 418 | 3 | 0 | 3 | 4.2 | COc1cccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(Cl)cc2)c1 | 10.1016/j.bmcl.2014.11.082 | ||
| 3810205 | 235390 | 12 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 418 | 3 | 0 | 3 | 4.2 | COc1cccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(Cl)cc2)c1 | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3361316 | 235390 | 12 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 418 | 3 | 0 | 3 | 4.2 | COc1cccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(Cl)cc2)c1 | 10.1016/j.bmcl.2014.11.082 | ||
| 168797900 | 391959 | 0 | None | -4 | 2 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 377 | 3 | 0 | 7 | 2.4 | Cc1ncc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3C)CC2)s1 | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5583841 | 391959 | 0 | None | -4 | 2 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 377 | 3 | 0 | 7 | 2.4 | Cc1ncc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3C)CC2)s1 | 10.1021/acs.jmedchem.4c01193 | ||
| 137648371 | 313643 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 459 | 4 | 1 | 3 | 4.7 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(NC2CCC2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4082503 | 313643 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 459 | 4 | 1 | 3 | 4.7 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(NC2CCC2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| 137648371 | 313643 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 459 | 4 | 1 | 3 | 4.7 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(NC2CCC2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4082503 | 313643 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 459 | 4 | 1 | 3 | 4.7 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(NC2CCC2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| 137647734 | 313732 | 0 | None | -5 | 5 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 448 | 4 | 0 | 5 | 4.7 | O=C(C1CCN(c2cc(Oc3ccc(Cl)cc3)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| CHEMBL4083681 | 313732 | 0 | None | -5 | 5 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 448 | 4 | 0 | 5 | 4.7 | O=C(C1CCN(c2cc(Oc3ccc(Cl)cc3)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| 168797883 | 392140 | 0 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 394 | 3 | 0 | 7 | 2.0 | Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2cnn(C)c2Cl)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5591154 | 392140 | 0 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 394 | 3 | 0 | 7 | 2.0 | Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2cnn(C)c2Cl)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| 168797883 | 392140 | 0 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 394 | 3 | 0 | 7 | 2.0 | Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2cnn(C)c2Cl)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5591154 | 392140 | 0 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 394 | 3 | 0 | 7 | 2.0 | Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2cnn(C)c2Cl)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| 118719490 | 234487 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 456 | 3 | 0 | 3 | 4.1 | COc1cc(C23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)c(F)c(F)c2)ccc1F | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3353278 | 234487 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 456 | 3 | 0 | 3 | 4.1 | COc1cc(C23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)c(F)c(F)c2)ccc1F | 10.1016/j.bmcl.2014.11.082 | ||
| 168279436 | 374234 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 396 | 5 | 0 | 6 | 3.3 | O=S(=O)(c1ccc2c(c1)CCO2)N1CCC(CSc2nccs2)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5188831 | 374234 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 396 | 5 | 0 | 6 | 3.3 | O=S(=O)(c1ccc2c(c1)CCO2)N1CCC(CSc2nccs2)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 168279436 | 374234 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 396 | 5 | 0 | 6 | 3.3 | O=S(=O)(c1ccc2c(c1)CCO2)N1CCC(CSc2nccs2)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5188831 | 374234 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 396 | 5 | 0 | 6 | 3.3 | O=S(=O)(c1ccc2c(c1)CCO2)N1CCC(CSc2nccs2)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 137637123 | 312053 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 498 | 3 | 0 | 4 | 4.5 | N#CC1CCCN(c2ccc([C@@]34c5ccccc5C(=O)N3CCN4C(=O)c3ccc(F)c(F)c3)cc2)C1 | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4063401 | 312053 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 498 | 3 | 0 | 4 | 4.5 | N#CC1CCCN(c2ccc([C@@]34c5ccccc5C(=O)N3CCN4C(=O)c3ccc(F)c(F)c3)cc2)C1 | 10.1016/j.bmcl.2017.02.020 | ||
| 137637123 | 312053 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 498 | 3 | 0 | 4 | 4.5 | N#CC1CCCN(c2ccc([C@@]34c5ccccc5C(=O)N3CCN4C(=O)c3ccc(F)c(F)c3)cc2)C1 | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4063401 | 312053 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 498 | 3 | 0 | 4 | 4.5 | N#CC1CCCN(c2ccc([C@@]34c5ccccc5C(=O)N3CCN4C(=O)c3ccc(F)c(F)c3)cc2)C1 | 10.1016/j.bmcl.2017.02.020 | ||
| 137655063 | 314828 | 0 | None | -5 | 5 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 432 | 4 | 0 | 5 | 4.2 | O=C(C1CCN(c2cc(Oc3ccccc3F)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| CHEMBL4096143 | 314828 | 0 | None | -5 | 5 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 432 | 4 | 0 | 5 | 4.2 | O=C(C1CCN(c2cc(Oc3ccccc3F)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| 168286427 | 374880 | 0 | None | 1 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 421 | 5 | 0 | 6 | 3.2 | Cc1nc(SCC2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)n(C)c1C | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5198797 | 374880 | 0 | None | 1 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 421 | 5 | 0 | 6 | 3.2 | Cc1nc(SCC2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)n(C)c1C | 10.1021/acs.jmedchem.2c00192 | ||
| 168286427 | 374880 | 0 | None | 1 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 421 | 5 | 0 | 6 | 3.2 | Cc1nc(SCC2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)n(C)c1C | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5198797 | 374880 | 0 | None | 1 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 421 | 5 | 0 | 6 | 3.2 | Cc1nc(SCC2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)n(C)c1C | 10.1021/acs.jmedchem.2c00192 | ||
| 168292839 | 375143 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 395 | 5 | 0 | 7 | 2.3 | Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3c(c2)OCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5203148 | 375143 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 395 | 5 | 0 | 7 | 2.3 | Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3c(c2)OCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 168292839 | 375143 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 395 | 5 | 0 | 7 | 2.3 | Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3c(c2)OCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5203148 | 375143 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 395 | 5 | 0 | 7 | 2.3 | Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3c(c2)OCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 2986945 | 195432 | 5 | None | -6 | 5 | Rat | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 371 | 6 | 1 | 3 | 4.1 | CCN1CCN(c2ccc(NC(=O)CCc3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2007.12.051 | ||
| CHEMBL255169 | 195432 | 5 | None | -6 | 5 | Rat | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 371 | 6 | 1 | 3 | 4.1 | CCN1CCN(c2ccc(NC(=O)CCc3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2007.12.051 | ||
| 137636421 | 311959 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 521 | 3 | 0 | 3 | 5.3 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCc3ccccc3C2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4062351 | 311959 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 521 | 3 | 0 | 3 | 5.3 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCc3ccccc3C2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| 71607056 | 235393 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 446 | 4 | 0 | 3 | 4.9 | CC(C)Oc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3361319 | 235393 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 446 | 4 | 0 | 3 | 4.9 | CC(C)Oc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| 71598521 | 5238 | 24 | None | -1 | 2 | Rat | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 424 | 2 | 0 | 2 | 4.4 | Clc1ccc(cc1)[C@]12N(CCN1C(=O)c1c2cccc1)C(=O)c1ccc(c(c1)F)F | 10.1021/jm4013246 | ||
| 7631 | 5238 | 24 | None | -1 | 2 | Rat | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 424 | 2 | 0 | 2 | 4.4 | Clc1ccc(cc1)[C@]12N(CCN1C(=O)c1c2cccc1)C(=O)c1ccc(c(c1)F)F | 10.1021/jm4013246 | ||
| CHEMBL3105228 | 5238 | 24 | None | -1 | 2 | Rat | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 424 | 2 | 0 | 2 | 4.4 | Clc1ccc(cc1)[C@]12N(CCN1C(=O)c1c2cccc1)C(=O)c1ccc(c(c1)F)F | 10.1021/jm4013246 | ||
| 71607056 | 235393 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 446 | 4 | 0 | 3 | 4.9 | CC(C)Oc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3361319 | 235393 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 446 | 4 | 0 | 3 | 4.9 | CC(C)Oc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| 168797568 | 392430 | 0 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 394 | 3 | 0 | 7 | 2.0 | Cc1cc2nccn2nc1C1CCN(S(=O)(=O)c2cnn(C)c2Cl)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5596016 | 392430 | 0 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 394 | 3 | 0 | 7 | 2.0 | Cc1cc2nccn2nc1C1CCN(S(=O)(=O)c2cnn(C)c2Cl)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| 168797826 | 392362 | 0 | None | 1 | 3 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 414 | 3 | 0 | 7 | 2.3 | Cn1ncc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3Cl)CC2)c1Cl | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5595085 | 392362 | 0 | None | 1 | 3 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 414 | 3 | 0 | 7 | 2.3 | Cn1ncc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3Cl)CC2)c1Cl | 10.1021/acs.jmedchem.4c01193 | ||
| 168797826 | 392362 | 0 | None | 1 | 3 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 414 | 3 | 0 | 7 | 2.3 | Cn1ncc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3Cl)CC2)c1Cl | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5595085 | 392362 | 0 | None | 1 | 3 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 414 | 3 | 0 | 7 | 2.3 | Cn1ncc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3Cl)CC2)c1Cl | 10.1021/acs.jmedchem.4c01193 | ||
| 168797568 | 392430 | 0 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 394 | 3 | 0 | 7 | 2.0 | Cc1cc2nccn2nc1C1CCN(S(=O)(=O)c2cnn(C)c2Cl)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5596016 | 392430 | 0 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 394 | 3 | 0 | 7 | 2.0 | Cc1cc2nccn2nc1C1CCN(S(=O)(=O)c2cnn(C)c2Cl)CC1 | 10.1021/acs.jmedchem.4c01193 | ||
| 168269097 | 373052 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 405 | 4 | 0 | 6 | 2.5 | Cn1ccnc1SC1C[C@@H]2CN(S(=O)(=O)c3ccc4c(c3)CCO4)C[C@@H]2C1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5170431 | 373052 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 405 | 4 | 0 | 6 | 2.5 | Cn1ccnc1SC1C[C@@H]2CN(S(=O)(=O)c3ccc4c(c3)CCO4)C[C@@H]2C1 | 10.1021/acs.jmedchem.2c00192 | ||
| 168269097 | 373052 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 405 | 4 | 0 | 6 | 2.5 | Cn1ccnc1SC1C[C@@H]2CN(S(=O)(=O)c3ccc4c(c3)CCO4)C[C@@H]2C1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5170431 | 373052 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 405 | 4 | 0 | 6 | 2.5 | Cn1ccnc1SC1C[C@@H]2CN(S(=O)(=O)c3ccc4c(c3)CCO4)C[C@@H]2C1 | 10.1021/acs.jmedchem.2c00192 | ||
| 71451570 | 163376 | 0 | None | -4 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 326 | 4 | 0 | 2 | 2.9 | CN1CCN(C(=O)[C@@](F)(Cc2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| CHEMBL2164905 | 163376 | 0 | None | -4 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 326 | 4 | 0 | 2 | 2.9 | CN1CCN(C(=O)[C@@](F)(Cc2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| 137636421 | 311959 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 521 | 3 | 0 | 3 | 5.3 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCc3ccccc3C2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4062351 | 311959 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 521 | 3 | 0 | 3 | 5.3 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCc3ccccc3C2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| 46830361 | 22208 | 0 | None | -2 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 433 | 4 | 1 | 3 | 4.4 | CCN1CCN(c2ccc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2Cl)CC1 | 10.1016/j.bmcl.2010.02.041 | ||
| CHEMBL1090094 | 22208 | 0 | None | -2 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 433 | 4 | 1 | 3 | 4.4 | CCN1CCN(c2ccc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2Cl)CC1 | 10.1016/j.bmcl.2010.02.041 | ||
| 118724895 | 235392 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 432 | 4 | 0 | 3 | 4.6 | CCOc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3361318 | 235392 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 432 | 4 | 0 | 3 | 4.6 | CCOc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| 118724895 | 235392 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 432 | 4 | 0 | 3 | 4.6 | CCOc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3361318 | 235392 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 432 | 4 | 0 | 3 | 4.6 | CCOc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| 168279639 | 374106 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 407 | 5 | 0 | 6 | 2.9 | CC1Cc2cc(S(=O)(=O)N3CCC(CSc4nccn4C)CC3)ccc2O1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5186990 | 374106 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 407 | 5 | 0 | 6 | 2.9 | CC1Cc2cc(S(=O)(=O)N3CCC(CSc4nccn4C)CC3)ccc2O1 | 10.1021/acs.jmedchem.2c00192 | ||
| 168279639 | 374106 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 407 | 5 | 0 | 6 | 2.9 | CC1Cc2cc(S(=O)(=O)N3CCC(CSc4nccn4C)CC3)ccc2O1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5186990 | 374106 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 407 | 5 | 0 | 6 | 2.9 | CC1Cc2cc(S(=O)(=O)N3CCC(CSc4nccn4C)CC3)ccc2O1 | 10.1021/acs.jmedchem.2c00192 | ||
| 137634701 | 311737 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 546 | 4 | 0 | 5 | 4.1 | CCOC(=O)N1CCN(c2ccc([C@@]34c5ccccc5C(=O)N3CCN4C(=O)c3ccc(F)c(F)c3)cc2)CC1 | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4059751 | 311737 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 546 | 4 | 0 | 5 | 4.1 | CCOC(=O)N1CCN(c2ccc([C@@]34c5ccccc5C(=O)N3CCN4C(=O)c3ccc(F)c(F)c3)cc2)CC1 | 10.1016/j.bmcl.2017.02.020 | ||
| 71800902 | 374853 | 9 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 393 | 6 | 0 | 6 | 2.8 | CC(=O)c1cccc(S(=O)(=O)N2CCC(CSc3nccn3C)CC2)c1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5198283 | 374853 | 9 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 393 | 6 | 0 | 6 | 2.8 | CC(=O)c1cccc(S(=O)(=O)N2CCC(CSc3nccn3C)CC2)c1 | 10.1021/acs.jmedchem.2c00192 | ||
| 168797826 | 392362 | 0 | None | -1 | 3 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 414 | 3 | 0 | 7 | 2.3 | Cn1ncc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3Cl)CC2)c1Cl | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5595085 | 392362 | 0 | None | -1 | 3 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 414 | 3 | 0 | 7 | 2.3 | Cn1ncc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3Cl)CC2)c1Cl | 10.1021/acs.jmedchem.4c01193 | ||
| 168797968 | 392247 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 412 | 3 | 0 | 7 | 2.1 | Cc1c(C2CCN(S(=O)(=O)c3cnn(C)c3Cl)CC2)cn2ncnc2c1F | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5593418 | 392247 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 412 | 3 | 0 | 7 | 2.1 | Cc1c(C2CCN(S(=O)(=O)c3cnn(C)c3Cl)CC2)cn2ncnc2c1F | 10.1021/acs.jmedchem.4c01193 | ||
| 118719492 | 234489 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 452 | 3 | 0 | 3 | 4.2 | COc1cc(C23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)c(F)c(F)c2)ccc1C | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3353280 | 234489 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 452 | 3 | 0 | 3 | 4.2 | COc1cc(C23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)c(F)c(F)c2)ccc1C | 10.1016/j.bmcl.2014.11.082 | ||
| 168798192 | 392198 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 391 | 3 | 0 | 7 | 2.7 | Cc1nc(C)c(S(=O)(=O)N2CCC(c3cn4ncnc4cc3C)CC2)s1 | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5592387 | 392198 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 391 | 3 | 0 | 7 | 2.7 | Cc1nc(C)c(S(=O)(=O)N2CCC(c3cn4ncnc4cc3C)CC2)s1 | 10.1021/acs.jmedchem.4c01193 | ||
| 168798192 | 392198 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 391 | 3 | 0 | 7 | 2.7 | Cc1nc(C)c(S(=O)(=O)N2CCC(c3cn4ncnc4cc3C)CC2)s1 | 10.1021/acs.jmedchem.4c01193 | ||
| CHEMBL5592387 | 392198 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 391 | 3 | 0 | 7 | 2.7 | Cc1nc(C)c(S(=O)(=O)N2CCC(c3cn4ncnc4cc3C)CC2)s1 | 10.1021/acs.jmedchem.4c01193 | ||
| 168271323 | 373633 | 0 | None | 75 | 2 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 393 | 5 | 0 | 6 | 2.5 | Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5179833 | 373633 | 0 | None | 75 | 2 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 393 | 5 | 0 | 6 | 2.5 | Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 168271323 | 373633 | 0 | None | 75 | 2 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 393 | 5 | 0 | 6 | 2.5 | Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5179833 | 373633 | 0 | None | 75 | 2 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 393 | 5 | 0 | 6 | 2.5 | Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 168279398 | 374221 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 407 | 5 | 0 | 6 | 2.9 | Cc1cnc(SCC2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)n1C | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5188559 | 374221 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 407 | 5 | 0 | 6 | 2.9 | Cc1cnc(SCC2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)n1C | 10.1021/acs.jmedchem.2c00192 | ||
| 168279398 | 374221 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 407 | 5 | 0 | 6 | 2.9 | Cc1cnc(SCC2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)n1C | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5188559 | 374221 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 407 | 5 | 0 | 6 | 2.9 | Cc1cnc(SCC2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)n1C | 10.1021/acs.jmedchem.2c00192 | ||
| 168298075 | 385210 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 457 | 4 | 1 | 6 | 3.7 | C[C@@H]1C[C@@H](C(=O)Nc2ccc3scnc3c2)CCN1S(=O)(=O)c1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2022.128988 | ||
| 168298989 | 385210 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 457 | 4 | 1 | 6 | 3.7 | C[C@@H]1C[C@@H](C(=O)Nc2ccc3scnc3c2)CCN1S(=O)(=O)c1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2022.128988 | ||
| CHEMBL5218587 | 385210 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 457 | 4 | 1 | 6 | 3.7 | C[C@@H]1C[C@@H](C(=O)Nc2ccc3scnc3c2)CCN1S(=O)(=O)c1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2022.128988 | ||
| CHEMBL5220906 | 385210 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 457 | 4 | 1 | 6 | 3.7 | C[C@@H]1C[C@@H](C(=O)Nc2ccc3scnc3c2)CCN1S(=O)(=O)c1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2022.128988 | ||
| 137634701 | 311737 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 546 | 4 | 0 | 5 | 4.1 | CCOC(=O)N1CCN(c2ccc([C@@]34c5ccccc5C(=O)N3CCN4C(=O)c3ccc(F)c(F)c3)cc2)CC1 | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4059751 | 311737 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 546 | 4 | 0 | 5 | 4.1 | CCOC(=O)N1CCN(c2ccc([C@@]34c5ccccc5C(=O)N3CCN4C(=O)c3ccc(F)c(F)c3)cc2)CC1 | 10.1016/j.bmcl.2017.02.020 | ||
| 162522971 | 385230 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 452 | 4 | 1 | 6 | 3.9 | O=C(Nc1ccc2scnc2c1)C1CCN(S(=O)(=O)c2ccc3ncccc3c2)CC1 | 10.1016/j.bmcl.2022.128988 | ||
| CHEMBL5219139 | 385230 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 452 | 4 | 1 | 6 | 3.9 | O=C(Nc1ccc2scnc2c1)C1CCN(S(=O)(=O)c2ccc3ncccc3c2)CC1 | 10.1016/j.bmcl.2022.128988 | ||
| 118719489 | 234486 | 0 | None | -1 | 2 | Rat | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 452 | 3 | 0 | 3 | 4.2 | COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)c(F)c(F)c2)cc1C | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3353277 | 234486 | 0 | None | -1 | 2 | Rat | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 452 | 3 | 0 | 3 | 4.2 | COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)c(F)c(F)c2)cc1C | 10.1016/j.bmcl.2014.11.082 | ||
| 1402 | 1082 | 53 | None | None | None | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm900286j | ||
| 154417 | 1082 | 53 | None | None | None | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm900286j | ||
| 174174 | 1082 | 53 | None | None | None | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm900286j | ||
| 260 | 1082 | 53 | None | None | None | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm900286j | ||
| 320 | 1082 | 53 | None | None | None | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm900286j | ||
| CHEMBL1331216 | 1082 | 53 | None | None | None | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm900286j | ||
| CHEMBL517712 | 1082 | 53 | None | None | None | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm900286j | ||
| DB00424 | 1082 | 53 | None | None | None | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm900286j | ||
| DB00572 | 1082 | 53 | None | None | None | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm900286j | ||
| 1979 | 155056 | 51 | None | -1 | 6 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 169 | 1 | 0 | 3 | 0.6 | CC(=O)OC1CN2CCC1CC2 | None | ||
| 4314 | 155056 | 51 | None | -1 | 6 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 169 | 1 | 0 | 3 | 0.6 | CC(=O)OC1CN2CCC1CC2 | None | ||
| CHEMBL20835 | 155056 | 51 | None | -1 | 6 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 169 | 1 | 0 | 3 | 0.6 | CC(=O)OC1CN2CCC1CC2 | None | ||
| DB13262 | 155056 | 51 | None | -1 | 6 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 169 | 1 | 0 | 3 | 0.6 | CC(=O)OC1CN2CCC1CC2 | None | ||
| 187 | 524 | 25 | None | -1 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| 294 | 524 | 25 | None | -1 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| 65 | 524 | 25 | None | -1 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| CHEMBL667 | 524 | 25 | None | -1 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| DB03128 | 524 | 25 | None | -1 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| 2166 | 6354 | 42 | None | -1 | 6 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | None | ||
| 305 | 6354 | 42 | None | -1 | 6 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | None | ||
| 5910 | 6354 | 42 | None | -1 | 6 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | None | ||
| 91468 | 6354 | 42 | None | -1 | 6 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | None | ||
| CHEMBL550 | 6354 | 42 | None | -1 | 6 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | None | ||
| CHEMBL91776 | 6354 | 42 | None | -1 | 6 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | None | ||
| DB01085 | 6354 | 42 | None | -1 | 6 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | None | ||
| 2684 | 1823 | 20 | None | -1 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | None | ||
| 584 | 1823 | 20 | None | -1 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | None | ||
| 9658 | 1823 | 20 | None | -1 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | None | ||
| CHEMBL168815 | 1823 | 20 | None | -1 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | None | ||
| DB00185 | 1823 | 20 | None | -1 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | None | ||
| 2551 | 1644 | 11 | None | -8 | 9 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | None | ||
| 298 | 1644 | 11 | None | -8 | 9 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | None | ||
| 488 | 1644 | 11 | None | -8 | 9 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | None | ||
| 5831 | 1644 | 11 | None | -8 | 9 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | None | ||
| CHEMBL965 | 1644 | 11 | None | -8 | 9 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | None | ||
| DB00411 | 1644 | 11 | None | -8 | 9 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | None | ||
| 3008304 | 8723 | 53 | None | 1 | 4 | Human | 5.4 | pEC50 | = | 5.4 | Functional | Guide to Pharmacology | 315 | 2 | 0 | 2 | 3.2 | Brc1ccc(cc1)CN1c2ccccc2C(=O)C1=O | 19438238 | ||
| 7632 | 8723 | 53 | None | 1 | 4 | Human | 5.4 | pEC50 | = | 5.4 | Functional | Guide to Pharmacology | 315 | 2 | 0 | 2 | 3.2 | Brc1ccc(cc1)CN1c2ccccc2C(=O)C1=O | 19438238 | ||
| CHEMBL523685 | 8723 | 53 | None | 1 | 4 | Human | 5.4 | pEC50 | = | 5.4 | Functional | Guide to Pharmacology | 315 | 2 | 0 | 2 | 3.2 | Brc1ccc(cc1)CN1c2ccccc2C(=O)C1=O | 19438238 | ||
| 3257 | 8733 | 53 | None | -1047 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | Guide to Pharmacology | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F | 19438238 | ||
| 42633508 | 8733 | 53 | None | -1047 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | Guide to Pharmacology | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F | 19438238 | ||
| CHEMBL466253 | 8733 | 53 | None | -1047 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | Guide to Pharmacology | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F | 19438238 | ||
| 1273944 | 518 | 16 | None | -3 | 5 | Human | 5.1 | pEC50 | None | 5.1 | Functional | Guide to Pharmacology | 170 | 1 | 1 | 2 | -0.8 | CC(=O)O[C@H]1C[NH+]2CCC1CC2 | 8968358 | ||
| 288 | 518 | 16 | None | -3 | 5 | Human | 5.1 | pEC50 | None | 5.1 | Functional | Guide to Pharmacology | 170 | 1 | 1 | 2 | -0.8 | CC(=O)O[C@H]1C[NH+]2CCC1CC2 | 8968358 | ||
| 6979053 | 518 | 16 | None | -3 | 5 | Human | 5.1 | pEC50 | None | 5.1 | Functional | Guide to Pharmacology | 170 | 1 | 1 | 2 | -0.8 | CC(=O)O[C@H]1C[NH+]2CCC1CC2 | 8968358 | ||
| CHEMBL612034 | 518 | 16 | None | -3 | 5 | Human | 5.1 | pEC50 | None | 5.1 | Functional | Guide to Pharmacology | 170 | 1 | 1 | 2 | -0.8 | CC(=O)O[C@H]1C[NH+]2CCC1CC2 | 8968358 | ||
| 286 | 517 | 6 | None | -6 | 5 | Human | 5.5 | pEC50 | None | 5.5 | Functional | Guide to Pharmacology | 170 | 1 | 1 | 2 | -0.8 | CC(=O)O[C@@H]1C[NH+]2CCC1CC2 | 8968358 | ||
| 6954180 | 517 | 6 | None | -6 | 5 | Human | 5.5 | pEC50 | None | 5.5 | Functional | Guide to Pharmacology | 170 | 1 | 1 | 2 | -0.8 | CC(=O)O[C@@H]1C[NH+]2CCC1CC2 | 8968358 | ||
| 909982 | 517 | 6 | None | -6 | 5 | Human | 5.5 | pEC50 | None | 5.5 | Functional | Guide to Pharmacology | 170 | 1 | 1 | 2 | -0.8 | CC(=O)O[C@@H]1C[NH+]2CCC1CC2 | 8968358 | ||
| CHEMBL608828 | 517 | 6 | None | -6 | 5 | Human | 5.5 | pEC50 | None | 5.5 | Functional | Guide to Pharmacology | 170 | 1 | 1 | 2 | -0.8 | CC(=O)O[C@@H]1C[NH+]2CCC1CC2 | 8968358 | ||
| 71737672 | 5240 | 27 | None | None | None | Human | 4.8 | pKB | = | 4.8 | Functional | Guide to Pharmacology | 494 | 6 | 1 | 4 | 4.0 | CCN(C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2c(c1)cn[nH]2)Cc1ccccc1C(F)(F)F | 25147929 | ||
| 71737672 | 5240 | 27 | None | None | None | Human | 4.8 | pKB | = | 4.8 | Functional | Guide to Pharmacology | 494 | 6 | 1 | 4 | 4.0 | CCN(C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2c(c1)cn[nH]2)Cc1ccccc1C(F)(F)F | 27461343 | ||
| 8687 | 5240 | 27 | None | None | None | Human | 4.8 | pKB | = | 4.8 | Functional | Guide to Pharmacology | 494 | 6 | 1 | 4 | 4.0 | CCN(C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2c(c1)cn[nH]2)Cc1ccccc1C(F)(F)F | 25147929 | ||
| 8687 | 5240 | 27 | None | None | None | Human | 4.8 | pKB | = | 4.8 | Functional | Guide to Pharmacology | 494 | 6 | 1 | 4 | 4.0 | CCN(C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2c(c1)cn[nH]2)Cc1ccccc1C(F)(F)F | 27461343 | ||
| CHEMBL3329755 | 5240 | 27 | None | None | None | Human | 4.8 | pKB | = | 4.8 | Functional | Guide to Pharmacology | 494 | 6 | 1 | 4 | 4.0 | CCN(C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2c(c1)cn[nH]2)Cc1ccccc1C(F)(F)F | 25147929 | ||
| CHEMBL3329755 | 5240 | 27 | None | None | None | Human | 4.8 | pKB | = | 4.8 | Functional | Guide to Pharmacology | 494 | 6 | 1 | 4 | 4.0 | CCN(C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2c(c1)cn[nH]2)Cc1ccccc1C(F)(F)F | 27461343 | ||
| 71598521 | 5238 | 24 | None | None | None | Human | 6.4 | pKB | = | 6.4 | Functional | Guide to Pharmacology | 424 | 2 | 0 | 2 | 4.4 | Clc1ccc(cc1)[C@]12N(CCN1C(=O)c1c2cccc1)C(=O)c1ccc(c(c1)F)F | 24164599 | ||
| 71598521 | 5238 | 24 | None | None | None | Human | 6.4 | pKB | = | 6.4 | Functional | Guide to Pharmacology | 424 | 2 | 0 | 2 | 4.4 | Clc1ccc(cc1)[C@]12N(CCN1C(=O)c1c2cccc1)C(=O)c1ccc(c(c1)F)F | 27461343 | ||
| 71598521 | 5238 | 24 | None | None | None | Human | 6.4 | pKB | = | 6.4 | Functional | Guide to Pharmacology | 424 | 2 | 0 | 2 | 4.4 | Clc1ccc(cc1)[C@]12N(CCN1C(=O)c1c2cccc1)C(=O)c1ccc(c(c1)F)F | 34351123 | ||
| 7631 | 5238 | 24 | None | None | None | Human | 6.4 | pKB | = | 6.4 | Functional | Guide to Pharmacology | 424 | 2 | 0 | 2 | 4.4 | Clc1ccc(cc1)[C@]12N(CCN1C(=O)c1c2cccc1)C(=O)c1ccc(c(c1)F)F | 24164599 | ||
| 7631 | 5238 | 24 | None | None | None | Human | 6.4 | pKB | = | 6.4 | Functional | Guide to Pharmacology | 424 | 2 | 0 | 2 | 4.4 | Clc1ccc(cc1)[C@]12N(CCN1C(=O)c1c2cccc1)C(=O)c1ccc(c(c1)F)F | 27461343 | ||
| 7631 | 5238 | 24 | None | None | None | Human | 6.4 | pKB | = | 6.4 | Functional | Guide to Pharmacology | 424 | 2 | 0 | 2 | 4.4 | Clc1ccc(cc1)[C@]12N(CCN1C(=O)c1c2cccc1)C(=O)c1ccc(c(c1)F)F | 34351123 | ||
| CHEMBL3105228 | 5238 | 24 | None | None | None | Human | 6.4 | pKB | = | 6.4 | Functional | Guide to Pharmacology | 424 | 2 | 0 | 2 | 4.4 | Clc1ccc(cc1)[C@]12N(CCN1C(=O)c1c2cccc1)C(=O)c1ccc(c(c1)F)F | 24164599 | ||
| CHEMBL3105228 | 5238 | 24 | None | None | None | Human | 6.4 | pKB | = | 6.4 | Functional | Guide to Pharmacology | 424 | 2 | 0 | 2 | 4.4 | Clc1ccc(cc1)[C@]12N(CCN1C(=O)c1c2cccc1)C(=O)c1ccc(c(c1)F)F | 27461343 | ||
| CHEMBL3105228 | 5238 | 24 | None | None | None | Human | 6.4 | pKB | = | 6.4 | Functional | Guide to Pharmacology | 424 | 2 | 0 | 2 | 4.4 | Clc1ccc(cc1)[C@]12N(CCN1C(=O)c1c2cccc1)C(=O)c1ccc(c(c1)F)F | 34351123 | ||
| 176 | 823 | 54 | None | None | None | Human | 7.3 | pKB | = | 7.3 | Functional | Guide to Pharmacology | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 20348203 | ||
| 2157 | 823 | 54 | None | None | None | Human | 7.3 | pKB | = | 7.3 | Functional | Guide to Pharmacology | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 20348203 | ||
| 2566 | 823 | 54 | None | None | None | Human | 7.3 | pKB | = | 7.3 | Functional | Guide to Pharmacology | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 20348203 | ||
| CHEMBL633 | 823 | 54 | None | None | None | Human | 7.3 | pKB | = | 7.3 | Functional | Guide to Pharmacology | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 20348203 | ||
| DB01118 | 823 | 54 | None | None | None | Human | 7.3 | pKB | = | 7.3 | Functional | Guide to Pharmacology | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 20348203 | ||
| 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 |
| 5487426 | 135875 | 7 | None | None | None | Human | 8.8 | pAC50 | = | 8.8 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | C[N+]1(C)[C@H]2C[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1038/s41467-023-40064-9 | |||
| 5487427 | 135875 | 7 | None | None | None | Human | 8.8 | pAC50 | = | 8.8 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | C[N+]1(C)[C@H]2C[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1038/s41467-023-40064-9 | |||
| 5487429 | 135875 | 7 | None | None | None | Human | 8.8 | pAC50 | = | 8.8 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | C[N+]1(C)[C@H]2C[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1900528 | 135875 | 7 | None | None | None | Human | 8.8 | pAC50 | = | 8.8 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | C[N+]1(C)[C@H]2C[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1038/s41467-023-40064-9 | |||
| DB01409 | 135875 | 7 | None | None | None | Human | 8.8 | pAC50 | = | 8.8 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | C[N+]1(C)[C@H]2C[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1038/s41467-023-40064-9 | |||
| 3494 | 3732 | 12 | None | None | None | Human | 8.7 | pAC50 | = | 8.7 | Binding | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1038/s41467-023-40064-9 | |||
| 4302 | 3732 | 12 | None | None | None | Human | 8.7 | pAC50 | = | 8.7 | Binding | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1038/s41467-023-40064-9 | |||
| 7459 | 3732 | 12 | None | None | None | Human | 8.7 | pAC50 | = | 8.7 | Binding | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1038/s41467-023-40064-9 | |||
| 9933193 | 3732 | 12 | None | None | None | Human | 8.7 | pAC50 | = | 8.7 | Binding | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1201335 | 3732 | 12 | None | None | None | Human | 8.7 | pAC50 | = | 8.7 | Binding | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1038/s41467-023-40064-9 | |||
| DB00986 | 3732 | 12 | None | None | None | Human | 8.7 | pAC50 | = | 8.7 | Binding | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1038/s41467-023-40064-9 | |||
| 2068 | 370177 | 47 | None | None | None | Human | 6.0 | pAC50 | = | 6.0 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | 10.1038/s41467-023-40064-9 | |||
| 43815 | 370177 | 47 | None | None | None | Human | 6.0 | pAC50 | = | 6.0 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL490 | 370177 | 47 | None | None | None | Human | 6.0 | pAC50 | = | 6.0 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | 10.1038/s41467-023-40064-9 | |||
| DB00715 | 370177 | 47 | None | None | None | Human | 6.0 | pAC50 | = | 6.0 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | 10.1038/s41467-023-40064-9 | |||
| 5328940 | 200386 | 70 | None | None | None | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 529 | 9 | 1 | 8 | 5.2 | COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl | 10.1038/s41467-023-40064-9 | |||
| CHEMBL288441 | 200386 | 70 | None | None | None | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 529 | 9 | 1 | 8 | 5.2 | COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl | 10.1038/s41467-023-40064-9 | |||
| DB06616 | 200386 | 70 | None | None | None | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 529 | 9 | 1 | 8 | 5.2 | COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl | 10.1038/s41467-023-40064-9 | |||
| 135398745 | 5933 | 69 | None | None | None | Human | 6.9 | pAC50 | = | 6.9 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | |||
| 1982 | 5933 | 69 | None | None | None | Human | 6.9 | pAC50 | = | 6.9 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | |||
| 4585 | 5933 | 69 | None | None | None | Human | 6.9 | pAC50 | = | 6.9 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | |||
| 47 | 5933 | 69 | None | None | None | Human | 6.9 | pAC50 | = | 6.9 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL715 | 5933 | 69 | None | None | None | Human | 6.9 | pAC50 | = | 6.9 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | |||
| DB00334 | 5933 | 69 | None | None | None | Human | 6.9 | pAC50 | = | 6.9 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | |||
| 2018 | 6124 | 31 | None | None | None | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 1047 | 17 | 9 | 11 | 3.4 | NCCCC[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](NC(=O)[C@@H](NC1=O)Cc1ccc(cc1)OCc1ccccc1)Cc1ccccc1)C[C@@H](C2)OC(=O)NCCN)c1ccccc1)Cc1c[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| 4329 | 6124 | 31 | None | None | None | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 1047 | 17 | 9 | 11 | 3.4 | NCCCC[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](NC(=O)[C@@H](NC1=O)Cc1ccc(cc1)OCc1ccccc1)Cc1ccccc1)C[C@@H](C2)OC(=O)NCCN)c1ccccc1)Cc1c[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| 9941444 | 6124 | 31 | None | None | None | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 1047 | 17 | 9 | 11 | 3.4 | NCCCC[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](NC(=O)[C@@H](NC1=O)Cc1ccc(cc1)OCc1ccccc1)Cc1ccccc1)C[C@@H](C2)OC(=O)NCCN)c1ccccc1)Cc1c[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL3349607 | 6124 | 31 | None | None | None | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 1047 | 17 | 9 | 11 | 3.4 | NCCCC[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](NC(=O)[C@@H](NC1=O)Cc1ccc(cc1)OCc1ccccc1)Cc1ccccc1)C[C@@H](C2)OC(=O)NCCN)c1ccccc1)Cc1c[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| DB06663 | 6124 | 31 | None | None | None | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 1047 | 17 | 9 | 11 | 3.4 | NCCCC[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](NC(=O)[C@@H](NC1=O)Cc1ccc(cc1)OCc1ccccc1)Cc1ccccc1)C[C@@H](C2)OC(=O)NCCN)c1ccccc1)Cc1c[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| 1150567 | 371619 | 67 | None | None | None | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 379 | 6 | 0 | 4 | 4.4 | COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2 | 10.1038/s41467-023-40064-9 | |||
| 3152 | 371619 | 67 | None | None | None | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 379 | 6 | 0 | 4 | 4.4 | COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2 | 10.1038/s41467-023-40064-9 | |||
| 946 | 371619 | 67 | None | None | None | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 379 | 6 | 0 | 4 | 4.4 | COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL502 | 371619 | 67 | None | None | None | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 379 | 6 | 0 | 4 | 4.4 | COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2 | 10.1038/s41467-023-40064-9 | |||
| DB00843 | 371619 | 67 | None | None | None | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 379 | 6 | 0 | 4 | 4.4 | COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2 | 10.1038/s41467-023-40064-9 | |||
| DB07701 | 371619 | 67 | None | None | None | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 379 | 6 | 0 | 4 | 4.4 | COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2 | 10.1038/s41467-023-40064-9 | |||
| 3180 | 38385 | 30 | None | None | None | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 289 | 8 | 0 | 3 | 3.9 | CCCCOc1ccc(C(=O)CCN2CCCCC2)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1201217 | 38385 | 30 | None | None | None | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 289 | 8 | 0 | 3 | 3.9 | CCCCOc1ccc(C(=O)CCN2CCCCC2)cc1 | 10.1038/s41467-023-40064-9 | |||
| DB00645 | 38385 | 30 | None | None | None | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 289 | 8 | 0 | 3 | 3.9 | CCCCOc1ccc(C(=O)CCN2CCCCC2)cc1 | 10.1038/s41467-023-40064-9 | |||
| 191 | 833 | 62 | None | None | None | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | |||
| 201 | 833 | 62 | None | None | None | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | |||
| 2170 | 833 | 62 | None | None | None | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1113 | 833 | 62 | None | None | None | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | |||
| DB00543 | 833 | 62 | None | None | None | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | |||
| 3158 | 18465 | 32 | None | None | None | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CC/C=C1/c2ccccc2COc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
| 667468 | 18465 | 32 | None | None | None | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CC/C=C1/c2ccccc2COc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
| 956 | 18465 | 32 | None | None | None | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CC/C=C1/c2ccccc2COc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL101740 | 18465 | 32 | None | None | None | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CC/C=C1/c2ccccc2COc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1628227 | 18465 | 32 | None | None | None | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CC/C=C1/c2ccccc2COc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
| DB01142 | 18465 | 32 | None | None | None | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CC/C=C1/c2ccccc2COc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
| DB14750 | 18465 | 32 | None | None | None | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CC/C=C1/c2ccccc2COc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
| 1971 | 5840 | 38 | None | None | None | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| 2404 | 5840 | 38 | None | None | None | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| 4543 | 5840 | 38 | None | None | None | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL445 | 5840 | 38 | None | None | None | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| DB00540 | 5840 | 38 | None | None | None | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| 1475 | 116491 | 8 | None | None | None | Human | 8.5 | pAC50 | = | 8.5 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1038/s41467-023-40064-9 | |||
| 657308 | 116491 | 8 | None | None | None | Human | 8.5 | pAC50 | = | 8.5 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1038/s41467-023-40064-9 | |||
| 657309 | 116491 | 8 | None | None | None | Human | 8.5 | pAC50 | = | 8.5 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1621597 | 116491 | 8 | None | None | None | Human | 8.5 | pAC50 | = | 8.5 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1038/s41467-023-40064-9 | |||
| DB00332 | 116491 | 8 | None | None | None | Human | 8.5 | pAC50 | = | 8.5 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1038/s41467-023-40064-9 | |||
| 1427 | 4113 | 43 | None | None | None | Human | 6.5 | pAC50 | = | 6.5 | Binding | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
| 357 | 4113 | 43 | None | None | None | Human | 6.5 | pAC50 | = | 6.5 | Binding | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
| 3696 | 4113 | 43 | None | None | None | Human | 6.5 | pAC50 | = | 6.5 | Binding | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL11 | 4113 | 43 | None | None | None | Human | 6.5 | pAC50 | = | 6.5 | Binding | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
| DB00458 | 4113 | 43 | None | None | None | Human | 6.5 | pAC50 | = | 6.5 | Binding | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
| 1209 | 3407 | 55 | None | None | None | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
| 203 | 3407 | 55 | None | None | None | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
| 3386 | 3407 | 55 | None | None | None | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
| CHEMBL41 | 3407 | 55 | None | None | None | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
| DB00472 | 3407 | 55 | None | None | None | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
| 2284 | 6466 | 25 | None | None | None | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
| 4926 | 6466 | 25 | None | None | None | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
| 7281 | 6466 | 25 | None | None | None | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL564 | 6466 | 25 | None | None | None | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
| DB00420 | 6466 | 25 | None | None | None | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
| 10660 | 2953 | 69 | None | None | None | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | |||
| 1224 | 2953 | 69 | None | None | None | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | |||
| 3100 | 2953 | 69 | None | None | None | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | |||
| 441281 | 2953 | 69 | None | None | None | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | |||
| 8980 | 2953 | 69 | None | None | None | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | |||
| 916 | 2953 | 69 | None | None | None | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1200406 | 2953 | 69 | None | None | None | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL657 | 2953 | 69 | None | None | None | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | |||
| DB00985 | 2953 | 69 | None | None | None | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | |||
| DB01075 | 2953 | 69 | None | None | None | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | |||
| DB13636 | 2953 | 69 | None | None | None | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | |||
| 2705 | 8363 | 46 | None | None | None | Human | 8.2 | pAC50 | = | 8.2 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1038/s41467-023-40064-9 | |||
| 360 | 8363 | 46 | None | None | None | Human | 8.2 | pAC50 | = | 8.2 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1038/s41467-023-40064-9 | |||
| 443879 | 8363 | 46 | None | None | None | Human | 8.2 | pAC50 | = | 8.2 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1382 | 8363 | 46 | None | None | None | Human | 8.2 | pAC50 | = | 8.2 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1038/s41467-023-40064-9 | |||
| DB01036 | 8363 | 46 | None | None | None | Human | 8.2 | pAC50 | = | 8.2 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1038/s41467-023-40064-9 | |||
| 2784 | 7898 | 8 | None | None | None | Human | 8.2 | pAC50 | = | 8.2 | Binding | ChEMBL | 352 | 4 | 1 | 3 | 2.7 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1C[N+]2(C)CCC1CC2 | 10.1038/s41467-023-40064-9 | |||
| 351 | 7898 | 8 | None | None | None | Human | 8.2 | pAC50 | = | 8.2 | Binding | ChEMBL | 352 | 4 | 1 | 3 | 2.7 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1C[N+]2(C)CCC1CC2 | 10.1038/s41467-023-40064-9 | |||
| 676 | 7898 | 8 | None | None | None | Human | 8.2 | pAC50 | = | 8.2 | Binding | ChEMBL | 352 | 4 | 1 | 3 | 2.7 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1C[N+]2(C)CCC1CC2 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL620 | 7898 | 8 | None | None | None | Human | 8.2 | pAC50 | = | 8.2 | Binding | ChEMBL | 352 | 4 | 1 | 3 | 2.7 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1C[N+]2(C)CCC1CC2 | 10.1038/s41467-023-40064-9 | |||
| 1210 | 1893 | 53 | None | None | None | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | |||
| 1213 | 1893 | 53 | None | None | None | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | |||
| 2725 | 1893 | 53 | None | None | None | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | |||
| 33036 | 1893 | 53 | None | None | None | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | |||
| 4411 | 1893 | 53 | None | None | None | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | |||
| 5281070 | 1893 | 53 | None | None | None | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | |||
| 616 | 1893 | 53 | None | None | None | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | |||
| 6976 | 1893 | 53 | None | None | None | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | |||
| 716121 | 1893 | 53 | None | None | None | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | |||
| 90475904 | 1893 | 53 | None | None | None | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1200927 | 1893 | 53 | None | None | None | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1201353 | 1893 | 53 | None | None | None | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1554789 | 1893 | 53 | None | None | None | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL505 | 1893 | 53 | None | None | None | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | |||
| DB01114 | 1893 | 53 | None | None | None | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | |||
| DB09555 | 1893 | 53 | None | None | None | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | |||
| DB13679 | 1893 | 53 | None | None | None | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | |||
| 1613 | 4786 | 46 | None | None | None | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | |||
| 205 | 4786 | 46 | None | None | None | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | |||
| 3964 | 4786 | 46 | None | None | None | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL831 | 4786 | 46 | None | None | None | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | |||
| DB00408 | 4786 | 46 | None | None | None | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | |||
| 135398737 | 1973 | 61 | None | None | None | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| 2818 | 1973 | 61 | None | None | None | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| 38 | 1973 | 61 | None | None | None | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| 722 | 1973 | 61 | None | None | None | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL253391 | 1973 | 61 | None | None | None | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL42 | 1973 | 61 | None | None | None | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| DB00363 | 1973 | 61 | None | None | None | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| 1478 | 41858 | 30 | None | None | None | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 284 | 4 | 0 | 2 | 4.3 | CN(C)CCCn1c2c(c3ccccc31)CCCCCC2 | 10.1038/s41467-023-40064-9 | |||
| 21722 | 41858 | 30 | None | None | None | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 284 | 4 | 0 | 2 | 4.3 | CN(C)CCCn1c2c(c3ccccc31)CCCCCC2 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL126224 | 41858 | 30 | None | None | None | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 284 | 4 | 0 | 2 | 4.3 | CN(C)CCCn1c2c(c3ccccc31)CCCCCC2 | 10.1038/s41467-023-40064-9 | |||
| DB13496 | 41858 | 30 | None | None | None | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 284 | 4 | 0 | 2 | 4.3 | CN(C)CCCn1c2c(c3ccccc31)CCCCCC2 | 10.1038/s41467-023-40064-9 | |||
| 1353 | 3909 | 69 | None | None | None | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | |||
| 3559 | 3909 | 69 | None | None | None | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | |||
| 86 | 3909 | 69 | None | None | None | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | |||
| CHEMBL54 | 3909 | 69 | None | None | None | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | |||
| DB00502 | 3909 | 69 | None | None | None | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | |||
| 57525860 | 180899 | 0 | None | None | None | Rat | 9.7 | pEC50 | = | 9.7 | Binding | ChEMBL | 351 | 5 | 0 | 4 | 3.2 | O=C1C(=O)N(CCOc2ccccc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2013.03.032 | |||
| CHEMBL2381694 | 180899 | 0 | None | None | None | Rat | 9.7 | pEC50 | = | 9.7 | Binding | ChEMBL | 351 | 5 | 0 | 4 | 3.2 | O=C1C(=O)N(CCOc2ccccc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2013.03.032 | |||
| 57525860 | 180899 | 0 | None | None | None | Rat | 9.7 | pEC50 | = | 9.7 | Binding | ChEMBL | 351 | 5 | 0 | 4 | 3.2 | O=C1C(=O)N(CCOc2ccccc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2013.03.032 | |||
| CHEMBL2381694 | 180899 | 0 | None | None | None | Rat | 9.7 | pEC50 | = | 9.7 | Binding | ChEMBL | 351 | 5 | 0 | 4 | 3.2 | O=C1C(=O)N(CCOc2ccccc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2013.03.032 | |||
| 3257 | 8733 | 53 | None | None | None | Rat | 9.6 | pEC50 | = | 9.6 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F | 10.1016/j.bmcl.2013.03.032 | |||
| 42633508 | 8733 | 53 | None | None | None | Rat | 9.6 | pEC50 | = | 9.6 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F | 10.1016/j.bmcl.2013.03.032 | |||
| CHEMBL466253 | 8733 | 53 | None | None | None | Rat | 9.6 | pEC50 | = | 9.6 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F | 10.1016/j.bmcl.2013.03.032 | |||
| 3257 | 8733 | 53 | None | None | None | Rat | 9.6 | pEC50 | = | 9.6 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F | 10.1016/j.bmcl.2013.03.032 | |||
| 42633508 | 8733 | 53 | None | None | None | Rat | 9.6 | pEC50 | = | 9.6 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F | 10.1016/j.bmcl.2013.03.032 | |||
| CHEMBL466253 | 8733 | 53 | None | None | None | Rat | 9.6 | pEC50 | = | 9.6 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F | 10.1016/j.bmcl.2013.03.032 | |||
| 57525872 | 180900 | 0 | None | None | None | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 443 | 7 | 0 | 5 | 5.0 | O=C1C(=O)N(CCOc2ccc(Oc3ccccc3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2013.03.032 | |||
| CHEMBL2381695 | 180900 | 0 | None | None | None | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 443 | 7 | 0 | 5 | 5.0 | O=C1C(=O)N(CCOc2ccc(Oc3ccccc3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2013.03.032 | |||
| 57525872 | 180900 | 0 | None | None | None | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 443 | 7 | 0 | 5 | 5.0 | O=C1C(=O)N(CCOc2ccc(Oc3ccccc3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2013.03.032 | |||
| CHEMBL2381695 | 180900 | 0 | None | None | None | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 443 | 7 | 0 | 5 | 5.0 | O=C1C(=O)N(CCOc2ccc(Oc3ccccc3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2013.03.032 | |||
| 10465280 | 202842 | 0 | None | None | None | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 196 | 2 | 1 | 4 | 1.5 | CC(C)Oc1noc2c1CNCCC2 | 10.1021/jm00012a019 | |||
| CHEMBL305264 | 202842 | 0 | None | None | None | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 196 | 2 | 1 | 4 | 1.5 | CC(C)Oc1noc2c1CNCCC2 | 10.1021/jm00012a019 | |||
| 3257 | 8733 | 53 | None | None | None | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F | 10.1016/j.bmcl.2013.03.032 | |||
| 42633508 | 8733 | 53 | None | None | None | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F | 10.1016/j.bmcl.2013.03.032 | |||
| CHEMBL466253 | 8733 | 53 | None | None | None | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F | 10.1016/j.bmcl.2013.03.032 | |||
| 3257 | 8733 | 53 | None | None | None | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F | 10.1021/jm201139r | |||
| 42633508 | 8733 | 53 | None | None | None | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F | 10.1021/jm201139r | |||
| CHEMBL466253 | 8733 | 53 | None | None | None | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F | 10.1021/jm201139r | |||
| 10182490 | 28133 | 0 | None | None | None | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 415 | 14 | 0 | 10 | 1.2 | CC(=O)OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | |||
| CHEMBL1196131 | 28133 | 0 | None | None | None | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 415 | 14 | 0 | 10 | 1.2 | CC(=O)OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | |||
| 9308 | 41623 | 17 | None | None | None | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1016/j.bmc.2010.07.060 | |||
| CHEMBL12587 | 41623 | 17 | None | None | None | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1016/j.bmc.2010.07.060 | |||
| 57525867 | 180897 | 0 | None | None | None | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 412 | 6 | 1 | 6 | 2.6 | COc1ccc(CN2C(=O)C(O)(C[N+](=O)[O-])c3cc(OC(F)(F)F)ccc32)cc1 | 10.1016/j.bmcl.2013.03.032 | |||
| CHEMBL2381692 | 180897 | 0 | None | None | None | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 412 | 6 | 1 | 6 | 2.6 | COc1ccc(CN2C(=O)C(O)(C[N+](=O)[O-])c3cc(OC(F)(F)F)ccc32)cc1 | 10.1016/j.bmcl.2013.03.032 | |||
| 187 | 524 | 25 | None | None | None | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jnatprod.2c01079 | |||
| 294 | 524 | 25 | None | None | None | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jnatprod.2c01079 | |||
| 65 | 524 | 25 | None | None | None | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jnatprod.2c01079 | |||
| CHEMBL667 | 524 | 25 | None | None | None | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jnatprod.2c01079 | |||
| DB03128 | 524 | 25 | None | None | None | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jnatprod.2c01079 | |||
| 171347905 | 386244 | 0 | None | None | None | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 166 | 2 | 1 | 3 | 0.5 | O=C1C[C@@H](Cc2cnc[nH]2)CO1 | 10.1021/acs.jnatprod.2c01079 | |||
| CHEMBL5272950 | 386244 | 0 | None | None | None | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 166 | 2 | 1 | 3 | 0.5 | O=C1C[C@@H](Cc2cnc[nH]2)CO1 | 10.1021/acs.jnatprod.2c01079 | |||
| 46945663 | 41412 | 0 | None | None | None | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 432 | 5 | 0 | 5 | 4.6 | O=C1C(=O)N(Cc2ccc(Oc3cccc(F)n3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2013.03.032 | |||
| CHEMBL1257975 | 41412 | 0 | None | None | None | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 432 | 5 | 0 | 5 | 4.6 | O=C1C(=O)N(Cc2ccc(Oc3cccc(F)n3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2013.03.032 | |||
| 71737672 | 5240 | 27 | None | None | None | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 494 | 6 | 1 | 4 | 4.0 | CCN(C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2c(c1)cn[nH]2)Cc1ccccc1C(F)(F)F | 10.1021/acs.jmedchem.8b00875 | |||
| 8687 | 5240 | 27 | None | None | None | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 494 | 6 | 1 | 4 | 4.0 | CCN(C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2c(c1)cn[nH]2)Cc1ccccc1C(F)(F)F | 10.1021/acs.jmedchem.8b00875 | |||
| CHEMBL3329755 | 5240 | 27 | None | None | None | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 494 | 6 | 1 | 4 | 4.0 | CCN(C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2c(c1)cn[nH]2)Cc1ccccc1C(F)(F)F | 10.1021/acs.jmedchem.8b00875 | |||
| 44602489 | 462933 | 0 | None | None | None | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 413 | 5 | 0 | 4 | 5.1 | O=C1C(=O)N(Cc2ccc(Oc3ccccc3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1021/jm201139r | |||
| CHEMBL604482 | 462933 | 0 | None | None | None | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 413 | 5 | 0 | 4 | 5.1 | O=C1C(=O)N(Cc2ccc(Oc3ccccc3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1021/jm201139r | |||
| 44602489 | 462933 | 0 | None | None | None | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 413 | 5 | 0 | 4 | 5.1 | O=C1C(=O)N(Cc2ccc(Oc3ccccc3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2013.03.032 | |||
| CHEMBL604482 | 462933 | 0 | None | None | None | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 413 | 5 | 0 | 4 | 5.1 | O=C1C(=O)N(Cc2ccc(Oc3ccccc3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2013.03.032 | |||
| 10442337 | 468913 | 1 | None | None | None | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 182 | 2 | 1 | 4 | 1.1 | CCOc1noc2c1CNCCC2 | 10.1021/jm00012a019 | |||
| CHEMBL69305 | 468913 | 1 | None | None | None | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 182 | 2 | 1 | 4 | 1.1 | CCOc1noc2c1CNCCC2 | 10.1021/jm00012a019 | |||
| 57525851 | 180898 | 0 | None | None | None | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 448 | 5 | 1 | 5 | 3.9 | COc1ccc(CN2C(=O)C(O)(c3ccc(F)nc3)c3cc(OC(F)(F)F)ccc32)cc1 | 10.1016/j.bmcl.2013.03.032 | |||
| CHEMBL2381693 | 180898 | 0 | None | None | None | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 448 | 5 | 1 | 5 | 3.9 | COc1ccc(CN2C(=O)C(O)(c3ccc(F)nc3)c3cc(OC(F)(F)F)ccc32)cc1 | 10.1016/j.bmcl.2013.03.032 | |||
| 303 | 6064 | 15 | None | None | None | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | 10.1016/j.bmc.2010.07.060 | |||
| 4629 | 6064 | 15 | None | None | None | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | 10.1016/j.bmc.2010.07.060 | |||
| CHEMBL44674 | 6064 | 15 | None | None | None | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | 10.1016/j.bmc.2010.07.060 | |||
| 3652 | 8876 | 57 | None | None | None | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0301235 | |||
| 57 | 8876 | 57 | None | None | None | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0301235 | |||
| 60809 | 8876 | 57 | None | None | None | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0301235 | |||
| CHEMBL21536 | 8876 | 57 | None | None | None | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0301235 | |||
| DB15357 | 8876 | 57 | None | None | None | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0301235 | |||
| 1424 | 189 | 36 | None | None | None | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 244 | 3 | 0 | 2 | 3.4 | Fc1cccc(c1)/C=N/N=C/c1cccc(c1)F | 10.1021/jm5011786 | |||
| 6604893 | 189 | 36 | None | None | None | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 244 | 3 | 0 | 2 | 3.4 | Fc1cccc(c1)/C=N/N=C/c1cccc(c1)F | 10.1021/jm5011786 | |||
| CHEMBL371811 | 189 | 36 | None | None | None | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 244 | 3 | 0 | 2 | 3.4 | Fc1cccc(c1)/C=N/N=C/c1cccc(c1)F | 10.1021/jm5011786 | |||
| 12314275 | 215659 | 1 | None | None | None | Human | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 180 | 2 | 0 | 4 | 0.5 | Cn1cncc1C[C@H]1COC(=O)C1 | 10.1021/acs.jnatprod.2c01079 | |||
| CHEMBL313046 | 215659 | 1 | None | None | None | Human | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 180 | 2 | 0 | 4 | 0.5 | Cn1cncc1C[C@H]1COC(=O)C1 | 10.1021/acs.jnatprod.2c01079 | |||
| 2551 | 1644 | 11 | None | None | None | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2010.07.060 | |||
| 298 | 1644 | 11 | None | None | None | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2010.07.060 | |||
| 488 | 1644 | 11 | None | None | None | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2010.07.060 | |||
| 5831 | 1644 | 11 | None | None | None | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2010.07.060 | |||
| CHEMBL965 | 1644 | 11 | None | None | None | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2010.07.060 | |||
| DB00411 | 1644 | 11 | None | None | None | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2010.07.060 | |||
| 6891506 | 233500 | 34 | None | None | None | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 268 | 5 | 0 | 4 | 3.2 | COc1cccc(/C=N/N=C/c2cccc(OC)c2)c1 | 10.1021/jm5011786 | |||
| CHEMBL3334989 | 233500 | 34 | None | None | None | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 268 | 5 | 0 | 4 | 3.2 | COc1cccc(/C=N/N=C/c2cccc(OC)c2)c1 | 10.1021/jm5011786 | |||
| 53384880 | 231980 | 0 | None | None | None | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 310 | 2 | 2 | 3 | 1.9 | O=C(N[C@H]1C[C@@H](O)C1)c1ccc(C#Cc2cccc(F)c2)cn1 | 10.1021/jm5011786 | |||
| CHEMBL3334991 | 231980 | 0 | None | None | None | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 310 | 2 | 2 | 3 | 1.9 | O=C(N[C@H]1C[C@@H](O)C1)c1ccc(C#Cc2cccc(F)c2)cn1 | 10.1021/jm5011786 | |||
| 2551 | 1644 | 11 | None | None | None | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00012a019 | |||
| 298 | 1644 | 11 | None | None | None | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00012a019 | |||
| 488 | 1644 | 11 | None | None | None | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00012a019 | |||
| 5831 | 1644 | 11 | None | None | None | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00012a019 | |||
| CHEMBL965 | 1644 | 11 | None | None | None | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00012a019 | |||
| DB00411 | 1644 | 11 | None | None | None | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00012a019 | |||
| 3257 | 8733 | 53 | None | None | None | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F | 10.1016/j.bmcl.2013.03.032 | |||
| 42633508 | 8733 | 53 | None | None | None | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F | 10.1016/j.bmcl.2013.03.032 | |||
| CHEMBL466253 | 8733 | 53 | None | None | None | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F | 10.1016/j.bmcl.2013.03.032 | |||
| 57525860 | 180899 | 0 | None | None | None | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 351 | 5 | 0 | 4 | 3.2 | O=C1C(=O)N(CCOc2ccccc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2013.03.032 | |||
| CHEMBL2381694 | 180899 | 0 | None | None | None | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 351 | 5 | 0 | 4 | 3.2 | O=C1C(=O)N(CCOc2ccccc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2013.03.032 | |||
| 3257 | 8733 | 53 | None | None | None | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F | 10.1016/j.bmcl.2013.03.032 | |||
| 42633508 | 8733 | 53 | None | None | None | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F | 10.1016/j.bmcl.2013.03.032 | |||
| CHEMBL466253 | 8733 | 53 | None | None | None | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F | 10.1016/j.bmcl.2013.03.032 | |||
| 57525860 | 180899 | 0 | None | None | None | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 351 | 5 | 0 | 4 | 3.2 | O=C1C(=O)N(CCOc2ccccc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2013.03.032 | |||
| CHEMBL2381694 | 180899 | 0 | None | None | None | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 351 | 5 | 0 | 4 | 3.2 | O=C1C(=O)N(CCOc2ccccc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2013.03.032 | |||
| 53384880 | 183255 | 0 | None | None | None | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 310 | 2 | 2 | 3 | 1.9 | O=C(N[C@H]1C[C@H](O)C1)c1ccc(C#Cc2cccc(F)c2)cn1 | 10.1021/jm5011786 | |||
| CHEMBL2431187 | 183255 | 0 | None | None | None | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 310 | 2 | 2 | 3 | 1.9 | O=C(N[C@H]1C[C@H](O)C1)c1ccc(C#Cc2cccc(F)c2)cn1 | 10.1021/jm5011786 | |||
| 57525860 | 180899 | 0 | None | None | None | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 351 | 5 | 0 | 4 | 3.2 | O=C1C(=O)N(CCOc2ccccc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2013.03.032 | |||
| CHEMBL2381694 | 180899 | 0 | None | None | None | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 351 | 5 | 0 | 4 | 3.2 | O=C1C(=O)N(CCOc2ccccc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2013.03.032 | |||
| 57525860 | 180899 | 0 | None | None | None | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 351 | 5 | 0 | 4 | 3.2 | O=C1C(=O)N(CCOc2ccccc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2013.03.032 | |||
| CHEMBL2381694 | 180899 | 0 | None | None | None | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 351 | 5 | 0 | 4 | 3.2 | O=C1C(=O)N(CCOc2ccccc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2013.03.032 | |||
| 3008304 | 8723 | 53 | None | None | None | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 315 | 2 | 0 | 2 | 3.2 | Brc1ccc(cc1)CN1c2ccccc2C(=O)C1=O | 10.1021/jm201139r | |||
| 7632 | 8723 | 53 | None | None | None | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 315 | 2 | 0 | 2 | 3.2 | Brc1ccc(cc1)CN1c2ccccc2C(=O)C1=O | 10.1021/jm201139r | |||
| CHEMBL523685 | 8723 | 53 | None | None | None | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 315 | 2 | 0 | 2 | 3.2 | Brc1ccc(cc1)CN1c2ccccc2C(=O)C1=O | 10.1021/jm201139r | |||
| 57525833 | 180901 | 0 | None | None | None | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 385 | 5 | 0 | 4 | 3.8 | O=C1C(=O)N(CCOc2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2013.03.032 | |||
| CHEMBL2381696 | 180901 | 0 | None | None | None | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 385 | 5 | 0 | 4 | 3.8 | O=C1C(=O)N(CCOc2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2013.03.032 | |||
| 57525833 | 180901 | 0 | None | None | None | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 385 | 5 | 0 | 4 | 3.8 | O=C1C(=O)N(CCOc2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2013.03.032 | |||
| CHEMBL2381696 | 180901 | 0 | None | None | None | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 385 | 5 | 0 | 4 | 3.8 | O=C1C(=O)N(CCOc2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2013.03.032 | |||
| 10442081 | 202670 | 5 | None | None | None | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 168 | 1 | 1 | 4 | 0.7 | COc1noc2c1CNCCC2 | 10.1021/jm00012a019 | |||
| CHEMBL304142 | 202670 | 5 | None | None | None | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 168 | 1 | 1 | 4 | 0.7 | COc1noc2c1CNCCC2 | 10.1021/jm00012a019 | |||
| 57525835 | 180903 | 0 | None | None | None | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 365 | 5 | 0 | 4 | 3.5 | Cc1cccc(OCCN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc32)c1 | 10.1016/j.bmcl.2013.03.032 | |||
| CHEMBL2381698 | 180903 | 0 | None | None | None | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 365 | 5 | 0 | 4 | 3.5 | Cc1cccc(OCCN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc32)c1 | 10.1016/j.bmcl.2013.03.032 | |||
| 57525835 | 180903 | 0 | None | None | None | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 365 | 5 | 0 | 4 | 3.5 | Cc1cccc(OCCN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc32)c1 | 10.1016/j.bmcl.2013.03.032 | |||
| CHEMBL2381698 | 180903 | 0 | None | None | None | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 365 | 5 | 0 | 4 | 3.5 | Cc1cccc(OCCN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc32)c1 | 10.1016/j.bmcl.2013.03.032 | |||
| 302 | 6062 | 14 | None | None | None | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm00012a019 | |||
| 4630 | 6062 | 14 | None | None | None | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm00012a019 | |||
| CHEMBL7634 | 6062 | 14 | None | None | None | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm00012a019 | |||
| 57525858 | 180902 | 0 | None | None | None | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 381 | 6 | 0 | 5 | 3.2 | COc1ccc(OCCN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc32)cc1 | 10.1016/j.bmcl.2013.03.032 | |||
| CHEMBL2381697 | 180902 | 0 | None | None | None | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 381 | 6 | 0 | 5 | 3.2 | COc1ccc(OCCN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc32)cc1 | 10.1016/j.bmcl.2013.03.032 | |||
| 57525858 | 180902 | 0 | None | None | None | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 381 | 6 | 0 | 5 | 3.2 | COc1ccc(OCCN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc32)cc1 | 10.1016/j.bmcl.2013.03.032 | |||
| CHEMBL2381697 | 180902 | 0 | None | None | None | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 381 | 6 | 0 | 5 | 3.2 | COc1ccc(OCCN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc32)cc1 | 10.1016/j.bmcl.2013.03.032 | |||
| 2230 | 961 | 44 | None | None | None | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00012a019 | |||
| 296 | 961 | 44 | None | None | None | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00012a019 | |||
| CHEMBL7303 | 961 | 44 | None | None | None | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00012a019 | |||
| DB04365 | 961 | 44 | None | None | None | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00012a019 | |||
| 44251556 | 20939 | 20 | None | None | None | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 335 | 3 | 0 | 4 | 3.0 | Cn1cc(-c2ccc(CN3C(=O)C(=O)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2013.03.032 | |||
| CHEMBL1083203 | 20939 | 20 | None | None | None | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 335 | 3 | 0 | 4 | 3.0 | Cn1cc(-c2ccc(CN3C(=O)C(=O)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2013.03.032 | |||
| 2166 | 6354 | 42 | None | None | None | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/acs.jnatprod.2c01079 | |||
| 305 | 6354 | 42 | None | None | None | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/acs.jnatprod.2c01079 | |||
| 5910 | 6354 | 42 | None | None | None | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/acs.jnatprod.2c01079 | |||
| 91468 | 6354 | 42 | None | None | None | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/acs.jnatprod.2c01079 | |||
| CHEMBL550 | 6354 | 42 | None | None | None | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/acs.jnatprod.2c01079 | |||
| CHEMBL91776 | 6354 | 42 | None | None | None | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/acs.jnatprod.2c01079 | |||
| DB01085 | 6354 | 42 | None | None | None | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/acs.jnatprod.2c01079 | |||
| 2551 | 1644 | 11 | None | None | None | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0301235 | |||
| 298 | 1644 | 11 | None | None | None | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0301235 | |||
| 488 | 1644 | 11 | None | None | None | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0301235 | |||
| 5831 | 1644 | 11 | None | None | None | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0301235 | |||
| CHEMBL965 | 1644 | 11 | None | None | None | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0301235 | |||
| DB00411 | 1644 | 11 | None | None | None | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0301235 | |||
| 2166 | 6354 | 42 | None | None | None | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/acs.jnatprod.2c01079 | |||
| 305 | 6354 | 42 | None | None | None | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/acs.jnatprod.2c01079 | |||
| 5910 | 6354 | 42 | None | None | None | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/acs.jnatprod.2c01079 | |||
| 91468 | 6354 | 42 | None | None | None | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/acs.jnatprod.2c01079 | |||
| CHEMBL550 | 6354 | 42 | None | None | None | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/acs.jnatprod.2c01079 | |||
| CHEMBL91776 | 6354 | 42 | None | None | None | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/acs.jnatprod.2c01079 | |||
| DB01085 | 6354 | 42 | None | None | None | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/acs.jnatprod.2c01079 | |||
| 6861557 | 233501 | 35 | None | None | None | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 276 | 3 | 0 | 2 | 4.4 | Clc1cccc(/C=N/N=C/c2cccc(Cl)c2)c1 | 10.1021/jm5011786 | |||
| CHEMBL3334990 | 233501 | 35 | None | None | None | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 276 | 3 | 0 | 2 | 4.4 | Clc1cccc(/C=N/N=C/c2cccc(Cl)c2)c1 | 10.1021/jm5011786 | |||
| 187 | 524 | 25 | None | None | None | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2010.07.060 | |||
| 294 | 524 | 25 | None | None | None | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2010.07.060 | |||
| 65 | 524 | 25 | None | None | None | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2010.07.060 | |||
| CHEMBL667 | 524 | 25 | None | None | None | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2010.07.060 | |||
| DB03128 | 524 | 25 | None | None | None | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2010.07.060 | |||
| 10261985 | 468914 | 0 | None | None | None | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 192 | 2 | 1 | 4 | 0.7 | C#CCOc1noc2c1CNCCC2 | 10.1021/jm00012a019 | |||
| CHEMBL69306 | 468914 | 0 | None | None | None | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 192 | 2 | 1 | 4 | 0.7 | C#CCOc1noc2c1CNCCC2 | 10.1021/jm00012a019 | |||
| 5487426 | 135875 | 7 | None | None | None | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | C[N+]1(C)[C@H]2C[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1016/j.bmcl.2010.10.016 | |||
| 5487427 | 135875 | 7 | None | None | None | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | C[N+]1(C)[C@H]2C[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1016/j.bmcl.2010.10.016 | |||
| 5487429 | 135875 | 7 | None | None | None | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | C[N+]1(C)[C@H]2C[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1016/j.bmcl.2010.10.016 | |||
| CHEMBL1900528 | 135875 | 7 | None | None | None | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | C[N+]1(C)[C@H]2C[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1016/j.bmcl.2010.10.016 | |||
| DB01409 | 135875 | 7 | None | None | None | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | C[N+]1(C)[C@H]2C[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1016/j.bmcl.2010.10.016 | |||
| 11434515 | 536 | 9 | None | None | None | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1016/j.bmcl.2010.10.016 | |||
| 4484 | 536 | 9 | None | None | None | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1016/j.bmcl.2010.10.016 | |||
| 7449 | 536 | 9 | None | None | None | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1016/j.bmcl.2010.10.016 | |||
| CHEMBL1194325 | 536 | 9 | None | None | None | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1016/j.bmcl.2010.10.016 | |||
| DB08897 | 536 | 9 | None | None | None | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1016/j.bmcl.2010.10.016 | |||
| 3494 | 3732 | 12 | None | None | None | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1016/j.bmcl.2010.10.016 | |||
| 4302 | 3732 | 12 | None | None | None | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1016/j.bmcl.2010.10.016 | |||
| 7459 | 3732 | 12 | None | None | None | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1016/j.bmcl.2010.10.016 | |||
| 9933193 | 3732 | 12 | None | None | None | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1016/j.bmcl.2010.10.016 | |||
| CHEMBL1201335 | 3732 | 12 | None | None | None | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1016/j.bmcl.2010.10.016 | |||
| DB00986 | 3732 | 12 | None | None | None | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1016/j.bmcl.2010.10.016 | |||
| 1734 | 239 | 5 | None | None | None | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1016/j.bmc.2016.11.014 | |||
| 307 | 239 | 5 | None | None | None | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1016/j.bmc.2016.11.014 | |||
| CHEMBL168067 | 239 | 5 | None | None | None | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1016/j.bmc.2016.11.014 | |||
| 1734 | 239 | 5 | None | None | None | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1016/j.bmc.2016.03.006 | |||
| 307 | 239 | 5 | None | None | None | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1016/j.bmc.2016.03.006 | |||
| CHEMBL168067 | 239 | 5 | None | None | None | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1016/j.bmc.2016.03.006 | |||
| 1757 | 270505 | 11 | None | None | None | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | nan | |||
| 23724781 | 270505 | 11 | None | None | None | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | nan | |||
| 71183 | 270505 | 11 | None | None | None | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | nan | |||
| CHEMBL1354199 | 270505 | 11 | None | None | None | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | nan | |||
| CHEMBL376897 | 270505 | 11 | None | None | None | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | nan | |||
| DB00462 | 270505 | 11 | None | None | None | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | nan | |||
| DB11315 | 270505 | 11 | None | None | None | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | nan | |||
| 1734 | 239 | 5 | None | None | None | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1016/j.ejmech.2013.01.044 | |||
| 307 | 239 | 5 | None | None | None | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1016/j.ejmech.2013.01.044 | |||
| CHEMBL168067 | 239 | 5 | None | None | None | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1016/j.ejmech.2013.01.044 | |||
| 71575552 | 177073 | 0 | None | None | None | Rat | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 381 | 7 | 0 | 5 | 3.6 | COc1ccc(CCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1OC | 10.1021/jm301774u | |||
| CHEMBL2312346 | 177073 | 0 | None | None | None | Rat | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 381 | 7 | 0 | 5 | 3.6 | COc1ccc(CCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1OC | 10.1021/jm301774u | |||
| 1734 | 239 | 5 | None | None | None | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1016/j.bmc.2013.03.016 | |||
| 307 | 239 | 5 | None | None | None | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1016/j.bmc.2013.03.016 | |||
| CHEMBL168067 | 239 | 5 | None | None | None | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1016/j.bmc.2013.03.016 | |||
| 1734 | 239 | 5 | None | None | None | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1021/jm8007618 | |||
| 307 | 239 | 5 | None | None | None | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1021/jm8007618 | |||
| CHEMBL168067 | 239 | 5 | None | None | None | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1021/jm8007618 | |||
| 1402 | 1082 | 53 | None | None | None | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | |||
| 154417 | 1082 | 53 | None | None | None | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | |||
| 174174 | 1082 | 53 | None | None | None | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | |||
| 260 | 1082 | 53 | None | None | None | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | |||
| 320 | 1082 | 53 | None | None | None | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | |||
| CHEMBL1331216 | 1082 | 53 | None | None | None | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | |||
| CHEMBL517712 | 1082 | 53 | None | None | None | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | |||
| DB00424 | 1082 | 53 | None | None | None | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | |||
| DB00572 | 1082 | 53 | None | None | None | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | |||
| 14284 | 239586 | 84 | None | None | None | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 122 | 1 | 0 | 2 | 1.1 | CN(C)c1ccncc1 | 10.1021/acs.jmedchem.4c01193 | |||
| CHEMBL3561645 | 239586 | 84 | None | None | None | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 122 | 1 | 0 | 2 | 1.1 | CN(C)c1ccncc1 | 10.1021/acs.jmedchem.4c01193 | |||
| 2683 | 202943 | 22 | None | None | None | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | |||
| CHEMBL305906 | 202943 | 22 | None | None | None | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | |||
| DB11073 | 202943 | 22 | None | None | None | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | |||
| 2745 | 8402 | 34 | None | None | None | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | 10.1016/s0960-894x(98)00351-5 | |||
| 5572 | 8402 | 34 | None | None | None | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | 10.1016/s0960-894x(98)00351-5 | |||
| 66007 | 8402 | 34 | None | None | None | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | 10.1016/s0960-894x(98)00351-5 | |||
| 7315 | 8402 | 34 | None | None | None | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | 10.1016/s0960-894x(98)00351-5 | |||
| CHEMBL1490 | 8402 | 34 | None | None | None | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | 10.1016/s0960-894x(98)00351-5 | |||
| DB00376 | 8402 | 34 | None | None | None | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | 10.1016/s0960-894x(98)00351-5 | |||
| 14660293 | 105872 | 1 | None | None | None | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 191 | 0 | 1 | 4 | 1.3 | c1cc2nsnc2c2c1CCNC2 | 10.1021/jm9705216 | |||
| CHEMBL15936 | 105872 | 1 | None | None | None | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 191 | 0 | 1 | 4 | 1.3 | c1cc2nsnc2c2c1CCNC2 | 10.1021/jm9705216 | |||
| 10354348 | 199121 | 0 | None | None | None | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 241 | 2 | 0 | 5 | 2.4 | CSc1nsnc1C1=C(C)CCN(C)C1 | 10.1021/jm9705216 | |||
| CHEMBL279105 | 199121 | 0 | None | None | None | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 241 | 2 | 0 | 5 | 2.4 | CSc1nsnc1C1=C(C)CCN(C)C1 | 10.1021/jm9705216 | |||
| 324 | 3939 | 17 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/s0960-894x(98)00351-5 | |||
| 6436265 | 3939 | 17 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/s0960-894x(98)00351-5 | |||
| CHEMBL277642 | 3939 | 17 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/s0960-894x(98)00351-5 | |||
| 168912167 | 386243 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 370 | 1 | 0 | 5 | 2.5 | O=C(N1CCN2CCC1CC2)n1nc(-c2ccc(F)cc2)c2c1COCC2 | 10.1021/acsmedchemlett.2c00441 | |||
| CHEMBL5272946 | 386243 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 370 | 1 | 0 | 5 | 2.5 | O=C(N1CCN2CCC1CC2)n1nc(-c2ccc(F)cc2)c2c1COCC2 | 10.1021/acsmedchemlett.2c00441 | |||
| 168912169 | 387131 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 410 | 1 | 0 | 7 | 1.9 | O=C(N1CCN2CCC1CC2)n1nc(-n2cc(C(F)(F)F)cn2)c2c1COCC2 | 10.1021/acsmedchemlett.2c00441 | |||
| CHEMBL5315753 | 387131 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 410 | 1 | 0 | 7 | 1.9 | O=C(N1CCN2CCC1CC2)n1nc(-n2cc(C(F)(F)F)cn2)c2c1COCC2 | 10.1021/acsmedchemlett.2c00441 | |||
| 1210 | 1893 | 53 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 1213 | 1893 | 53 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 2725 | 1893 | 53 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 33036 | 1893 | 53 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 4411 | 1893 | 53 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 5281070 | 1893 | 53 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 616 | 1893 | 53 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 6976 | 1893 | 53 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 716121 | 1893 | 53 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 90475904 | 1893 | 53 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| CHEMBL1200927 | 1893 | 53 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| CHEMBL1201353 | 1893 | 53 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| CHEMBL1554789 | 1893 | 53 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| CHEMBL505 | 1893 | 53 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| DB01114 | 1893 | 53 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| DB09555 | 1893 | 53 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| DB13679 | 1893 | 53 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 4841 | 139710 | 2 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 368 | 7 | 1 | 3 | 3.5 | CC[N+]1(CCOC(=O)C(O)(c2ccccc2)c2ccccc2)CCCCC1 | nan | |||
| CHEMBL1889399 | 139710 | 2 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 368 | 7 | 1 | 3 | 3.5 | CC[N+]1(CCOC(=O)C(O)(c2ccccc2)c2ccccc2)CCCCC1 | nan | |||
| 2106 | 461821 | 25 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 5.3 | C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1 | nan | |||
| 4746 | 461821 | 25 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 5.3 | C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1 | nan | |||
| CHEMBL75880 | 461821 | 25 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 5.3 | C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1 | nan | |||
| DB01074 | 461821 | 25 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 5.3 | C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1 | nan | |||
| 10594386 | 25695 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 355 | 7 | 0 | 3 | 4.9 | CCN1CC=C(c2ccccc2)C(C(=O)OCCCC2CCCCC2)C1 | 10.1021/jm980067l | |||
| CHEMBL1180249 | 25695 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 355 | 7 | 0 | 3 | 4.9 | CCN1CC=C(c2ccccc2)C(C(=O)OCCCC2CCCCC2)C1 | 10.1021/jm980067l | |||
| 71598521 | 5238 | 24 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 424 | 2 | 0 | 2 | 4.4 | Clc1ccc(cc1)[C@]12N(CCN1C(=O)c1c2cccc1)C(=O)c1ccc(c(c1)F)F | 10.1021/acs.jmedchem.4c01193 | |||
| 7631 | 5238 | 24 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 424 | 2 | 0 | 2 | 4.4 | Clc1ccc(cc1)[C@]12N(CCN1C(=O)c1c2cccc1)C(=O)c1ccc(c(c1)F)F | 10.1021/acs.jmedchem.4c01193 | |||
| CHEMBL3105228 | 5238 | 24 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 424 | 2 | 0 | 2 | 4.4 | Clc1ccc(cc1)[C@]12N(CCN1C(=O)c1c2cccc1)C(=O)c1ccc(c(c1)F)F | 10.1021/acs.jmedchem.4c01193 | |||
| 1200 | 3405 | 44 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | |||
| 12488 | 3405 | 44 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | |||
| 941361 | 3405 | 44 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | |||
| CHEMBL30008 | 3405 | 44 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | |||
| DB04841 | 3405 | 44 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | |||
| 162523114 | 385254 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 443 | 4 | 1 | 6 | 3.3 | O=C(Nc1ccc2scnc2c1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1016/j.bmcl.2022.129021 | |||
| CHEMBL5219691 | 385254 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 443 | 4 | 1 | 6 | 3.3 | O=C(Nc1ccc2scnc2c1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1016/j.bmcl.2022.129021 | |||
| 10547222 | 233784 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 371 | 12 | 0 | 3 | 5.7 | CCCCCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | |||
| CHEMBL333940 | 233784 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 371 | 12 | 0 | 3 | 5.7 | CCCCCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | |||
| 10516408 | 25718 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 273 | 5 | 0 | 3 | 3.0 | CCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | |||
| CHEMBL1180330 | 25718 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 273 | 5 | 0 | 3 | 3.0 | CCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | |||
| 9905467 | 25713 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 327 | 5 | 0 | 3 | 4.3 | CCN1CCC(c2ccccc2)=C(C(=O)OCC2CCCCC2)C1 | 10.1021/jm980067l | |||
| CHEMBL1180316 | 25713 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 327 | 5 | 0 | 3 | 4.3 | CCN1CCC(c2ccccc2)=C(C(=O)OCC2CCCCC2)C1 | 10.1021/jm980067l | |||
| 3055 | 2955 | 32 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | nan | |||
| 313 | 2955 | 32 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | nan | |||
| 7163 | 2955 | 32 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | nan | |||
| CHEMBL936 | 2955 | 32 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | nan | |||
| DB01231 | 2955 | 32 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | nan | |||
| 2745 | 8402 | 34 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | nan | |||
| 5572 | 8402 | 34 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | nan | |||
| 66007 | 8402 | 34 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | nan | |||
| 7315 | 8402 | 34 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | nan | |||
| CHEMBL1490 | 8402 | 34 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | nan | |||
| DB00376 | 8402 | 34 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | nan | |||
| 13457440 | 468395 | 0 | None | None | None | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 280 | 3 | 0 | 2 | 3.4 | CN(C)CC1c2ccccc2C(c2ccccc2)CN1C | 10.1021/jm00374a011 | |||
| CHEMBL6528 | 468395 | 0 | None | None | None | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 280 | 3 | 0 | 2 | 3.4 | CN(C)CC1c2ccccc2C(c2ccccc2)CN1C | 10.1021/jm00374a011 | |||
| 134824563 | 311971 | 23 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 438 | 2 | 0 | 2 | 4.7 | Cc1cc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)ccc1Cl | 10.1021/acs.jmedchem.4c01193 | |||
| CHEMBL4062497 | 311971 | 23 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 438 | 2 | 0 | 2 | 4.7 | Cc1cc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)ccc1Cl | 10.1021/acs.jmedchem.4c01193 | |||
| 656392 | 367132 | 2 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 255 | 5 | 1 | 4 | 1.4 | CC[C@@H](C)[C@@H](O)C(=O)OC[C@H]1CCN2CCC[C@@H]12 | 10.1021/np049650x | |||
| CHEMBL480464 | 367132 | 2 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 255 | 5 | 1 | 4 | 1.4 | CC[C@@H](C)[C@@H](O)C(=O)OC[C@H]1CCN2CCC[C@@H]12 | 10.1021/np049650x | |||
| 2068 | 370177 | 47 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | nan | |||
| 43815 | 370177 | 47 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | nan | |||
| CHEMBL490 | 370177 | 47 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | nan | |||
| DB00715 | 370177 | 47 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | nan | |||
| 10522202 | 25711 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 355 | 7 | 0 | 3 | 5.1 | CCN1CCC(c2ccccc2)=C(C(=O)OCCCC2CCCCC2)C1 | 10.1021/jm980067l | |||
| CHEMBL1180312 | 25711 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 355 | 7 | 0 | 3 | 5.1 | CCN1CCC(c2ccccc2)=C(C(=O)OCCCC2CCCCC2)C1 | 10.1021/jm980067l | |||
| 135398737 | 1973 | 61 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | |||
| 2818 | 1973 | 61 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | |||
| 38 | 1973 | 61 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | |||
| 722 | 1973 | 61 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | |||
| CHEMBL253391 | 1973 | 61 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | |||
| CHEMBL42 | 1973 | 61 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | |||
| DB00363 | 1973 | 61 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | |||
| 10468793 | 468524 | 0 | None | None | None | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 278 | 1 | 0 | 2 | 3.1 | CN1CCN2CC(c3ccccc3)c3ccccc3C2C1 | 10.1021/jm00374a011 | |||
| CHEMBL6627 | 468524 | 0 | None | None | None | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 278 | 1 | 0 | 2 | 3.1 | CN1CCN2CC(c3ccccc3)c3ccccc3C2C1 | 10.1021/jm00374a011 | |||
| 13457895 | 468678 | 0 | None | None | None | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 292 | 2 | 0 | 2 | 3.5 | CCN1CCN2CC(c3ccccc3)c3ccccc3C2C1 | 10.1021/jm00374a011 | |||
| CHEMBL6747 | 468678 | 0 | None | None | None | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 292 | 2 | 0 | 2 | 3.5 | CCN1CCN2CC(c3ccccc3)c3ccccc3C2C1 | 10.1021/jm00374a011 | |||
| 10611310 | 26394 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 259 | 4 | 0 | 3 | 2.7 | CCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | |||
| CHEMBL1184096 | 26394 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 259 | 4 | 0 | 3 | 2.7 | CCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | |||
| 124 | 6070 | 37 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | |||
| 2032 | 6070 | 37 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | |||
| 4636 | 6070 | 37 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | |||
| CHEMBL762 | 6070 | 37 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | |||
| DB00935 | 6070 | 37 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | |||
| 2335 | 26122 | 15 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | |||
| 3018 | 26122 | 15 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | |||
| CHEMBL1182210 | 26122 | 15 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | |||
| DB11125 | 26122 | 15 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | |||
| 9885114 | 238340 | 3 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 357 | 3 | 1 | 4 | 3.0 | O=C1COc2cc(CN3CCN(c4ccc(Cl)cc4)CC3)ccc2N1 | 10.1021/jm990277d | |||
| CHEMBL346389 | 238340 | 3 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 357 | 3 | 1 | 4 | 3.0 | O=C1COc2cc(CN3CCN(c4ccc(Cl)cc4)CC3)ccc2N1 | 10.1021/jm990277d | |||
| 1209 | 3407 | 55 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | nan | |||
| 203 | 3407 | 55 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | nan | |||
| 3386 | 3407 | 55 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | nan | |||
| CHEMBL41 | 3407 | 55 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | nan | |||
| DB00472 | 3407 | 55 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | nan | |||
| 10358345 | 25719 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.3 | CCCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | |||
| CHEMBL1180331 | 25719 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.3 | CCCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | |||
| 10829928 | 26671 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 325 | 7 | 0 | 4 | 4.4 | CCCCCc1noc(C2=C(c3ccccc3)CCN(CC)C2)n1 | 10.1021/jm980067l | |||
| CHEMBL1185758 | 26671 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 325 | 7 | 0 | 4 | 4.4 | CCCCCc1noc(C2=C(c3ccccc3)CCN(CC)C2)n1 | 10.1021/jm980067l | |||
| 176 | 823 | 54 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | 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 | 5.8 | pIC50 | = | 5.8 | 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 | 5.8 | pIC50 | = | 5.8 | 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 | 5.8 | pIC50 | = | 5.8 | 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 | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
| 10499832 | 26406 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 377 | 9 | 0 | 3 | 5.0 | CCN1CC=C(c2ccccc2)C(C(=O)OCCCCCc2ccccc2)C1 | 10.1021/jm980067l | |||
| CHEMBL1184134 | 26406 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 377 | 9 | 0 | 3 | 5.0 | CCN1CC=C(c2ccccc2)C(C(=O)OCCCCCc2ccccc2)C1 | 10.1021/jm980067l | |||
| 10614695 | 26428 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 307 | 4 | 0 | 3 | 3.8 | CCN1CCC(c2ccccc2)=C(C(=O)Oc2ccccc2)C1 | 10.1021/jm980067l | |||
| CHEMBL1184188 | 26428 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 307 | 4 | 0 | 3 | 3.8 | CCN1CCC(c2ccccc2)=C(C(=O)Oc2ccccc2)C1 | 10.1021/jm980067l | |||
| 46891076 | 21037 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 344 | 4 | 2 | 2 | 3.8 | O=C(NCC1=CCNCC1)c1c(F)cccc1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.127 | |||
| CHEMBL1083618 | 21037 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 344 | 4 | 2 | 2 | 3.8 | O=C(NCC1=CCNCC1)c1c(F)cccc1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.127 | |||
| 10521205 | 25706 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 341 | 6 | 0 | 3 | 4.5 | CCN1CC=C(c2ccccc2)C(C(=O)OCCC2CCCCC2)C1 | 10.1021/jm980067l | |||
| CHEMBL1180298 | 25706 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 341 | 6 | 0 | 3 | 4.5 | CCN1CC=C(c2ccccc2)C(C(=O)OCCC2CCCCC2)C1 | 10.1021/jm980067l | |||
| 1634 | 163834 | 36 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | |||
| 4011 | 163834 | 36 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | |||
| CHEMBL21731 | 163834 | 36 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | |||
| DB00934 | 163834 | 36 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | |||
| 10660 | 2953 | 69 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | |||
| 1224 | 2953 | 69 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | |||
| 3100 | 2953 | 69 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | |||
| 441281 | 2953 | 69 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | |||
| 8980 | 2953 | 69 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | |||
| 916 | 2953 | 69 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | |||
| CHEMBL1200406 | 2953 | 69 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | |||
| CHEMBL657 | 2953 | 69 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | |||
| DB00985 | 2953 | 69 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | |||
| DB01075 | 2953 | 69 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | |||
| DB13636 | 2953 | 69 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | |||
| 10567372 | 26402 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.1 | CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | |||
| CHEMBL1184119 | 26402 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.1 | CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | |||
| 3013846 | 371456 | 2 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 757 | 23 | 5 | 11 | 5.9 | CCCCCCCCCCCC(OC(=O)C(CCCCN(O)C(C)=O)NC(=O)c1coc(-c2ccccc2O)n1)C(C)C(=O)NC1CCCCN(O)C1=O | 10.1021/np050091j | |||
| CHEMBL499519 | 371456 | 2 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 757 | 23 | 5 | 11 | 5.9 | CCCCCCCCCCCC(OC(=O)C(CCCCN(O)C(C)=O)NC(=O)c1coc(-c2ccccc2O)n1)C(C)C(=O)NC1CCCCN(O)C1=O | 10.1021/np050091j | |||
| 10567372 | 26402 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.1 | CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | |||
| CHEMBL1184119 | 26402 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.1 | CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | |||
| 10538337 | 26382 | 0 | None | None | None | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 245 | 3 | 0 | 3 | 2.2 | CCN1CC=C(c2ccccc2)C(C(=O)OC)C1 | 10.1021/jm980067l | |||
| CHEMBL1184062 | 26382 | 0 | None | None | None | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 245 | 3 | 0 | 3 | 2.2 | CCN1CC=C(c2ccccc2)C(C(=O)OC)C1 | 10.1021/jm980067l | |||
| 44302833 | 202569 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 376 | 2 | 1 | 4 | 4.4 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cccc(C)c2C1O3 | 10.1016/s0960-894x(98)00351-5 | |||
| CHEMBL304036 | 202569 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 376 | 2 | 1 | 4 | 4.4 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cccc(C)c2C1O3 | 10.1016/s0960-894x(98)00351-5 | |||
| 1548953 | 473104 | 29 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 | nan | |||
| CHEMBL954 | 473104 | 29 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 | nan | |||
| DB06735 | 473104 | 29 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 | nan | |||
| 44302901 | 201193 | 0 | None | None | None | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 320 | 1 | 1 | 3 | 3.9 | COc1ccc2c(c1)CCN1Cc3c(ccc4[nH]c(C)cc34)OC21 | 10.1016/s0960-894x(98)00351-5 | |||
| CHEMBL294726 | 201193 | 0 | None | None | None | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 320 | 1 | 1 | 3 | 3.9 | COc1ccc2c(c1)CCN1Cc3c(ccc4[nH]c(C)cc34)OC21 | 10.1016/s0960-894x(98)00351-5 | |||
| 162522980 | 386456 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 415 | 4 | 1 | 6 | 2.5 | O=C(Nc1ccc2scnc2c1)C1CN(S(=O)(=O)c2ccc3c(c2)CCO3)C1 | 10.1016/j.bmcl.2022.129021 | |||
| CHEMBL5278126 | 386456 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 415 | 4 | 1 | 6 | 2.5 | O=C(Nc1ccc2scnc2c1)C1CN(S(=O)(=O)c2ccc3c(c2)CCO3)C1 | 10.1016/j.bmcl.2022.129021 | |||
| 13457908 | 468341 | 0 | None | None | None | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 320 | 4 | 0 | 2 | 4.3 | CCCCN1CCN2CC(c3ccccc3)c3ccccc3C2C1 | 10.1021/jm00374a011 | |||
| CHEMBL6482 | 468341 | 0 | None | None | None | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 320 | 4 | 0 | 2 | 4.3 | CCCCN1CCN2CC(c3ccccc3)c3ccccc3C2C1 | 10.1021/jm00374a011 | |||
| 10567372 | 26402 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.1 | CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | |||
| CHEMBL1184119 | 26402 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.1 | CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | |||
| 10757736 | 26198 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 315 | 4 | 0 | 3 | 4.0 | CCN1CC[C@@H](c2ccccc2)[C@H](C(=O)OC2CCCCC2)C1 | 10.1021/jm980067l | |||
| 10852843 | 26198 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 315 | 4 | 0 | 3 | 4.0 | CCN1CC[C@@H](c2ccccc2)[C@H](C(=O)OC2CCCCC2)C1 | 10.1021/jm980067l | |||
| CHEMBL1182713 | 26198 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 315 | 4 | 0 | 3 | 4.0 | CCN1CC[C@@H](c2ccccc2)[C@H](C(=O)OC2CCCCC2)C1 | 10.1021/jm980067l | |||
| CHEMBL120135 | 26198 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 315 | 4 | 0 | 3 | 4.0 | CCN1CC[C@@H](c2ccccc2)[C@H](C(=O)OC2CCCCC2)C1 | 10.1021/jm980067l | |||
| 162523122 | 386305 | 0 | None | None | None | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 443 | 4 | 1 | 6 | 3.1 | C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@@H]1C(=O)Nc1ccc2scnc2c1 | 10.1016/j.bmcl.2022.129021 | |||
| CHEMBL5274220 | 386305 | 0 | None | None | None | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 443 | 4 | 1 | 6 | 3.1 | C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@@H]1C(=O)Nc1ccc2scnc2c1 | 10.1016/j.bmcl.2022.129021 | |||
| 10569816 | 25736 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 4.1 | CCN1CC=C(c2ccccc2)C(C(=O)OCCc2ccc(C)cc2)C1 | 10.1021/jm980067l | |||
| CHEMBL1180367 | 25736 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 4.1 | CCN1CC=C(c2ccccc2)C(C(=O)OCCc2ccc(C)cc2)C1 | 10.1021/jm980067l | |||
| 135 | 5144 | 38 | None | None | None | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1021/jm00374a011 | |||
| 1796 | 5144 | 38 | None | None | None | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1021/jm00374a011 | |||
| 4184 | 5144 | 38 | None | None | None | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1021/jm00374a011 | |||
| CHEMBL6437 | 5144 | 38 | None | None | None | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1021/jm00374a011 | |||
| DB06148 | 5144 | 38 | None | None | None | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1021/jm00374a011 | |||
| 10937901 | 24213 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 385 | 3 | 1 | 6 | 4.0 | Oc1nc2ccccc2n1C1CCN(Cc2cc3c(cc2Cl)OCO3)CC1 | 10.1021/jm010878g | |||
| CHEMBL114379 | 24213 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 385 | 3 | 1 | 6 | 4.0 | Oc1nc2ccccc2n1C1CCN(Cc2cc3c(cc2Cl)OCO3)CC1 | 10.1021/jm010878g | |||
| 10806268 | 26408 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 329 | 9 | 0 | 3 | 4.7 | CCCCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | |||
| CHEMBL1184139 | 26408 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 329 | 9 | 0 | 3 | 4.7 | CCCCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | |||
| 180081 | 199832 | 36 | None | None | None | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 221 | 0 | 1 | 1 | 3.2 | C[C@]12N[C@H](Cc3ccccc31)c1ccccc12 | 10.1021/jm058018d | |||
| CHEMBL284237 | 199832 | 36 | None | None | None | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 221 | 0 | 1 | 1 | 3.2 | C[C@]12N[C@H](Cc3ccccc31)c1ccccc12 | 10.1021/jm058018d | |||
| 1201549 | 1234 | 18 | None | None | None | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | |||
| 333 | 1234 | 18 | None | None | None | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | |||
| 7601 | 1234 | 18 | None | None | None | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | |||
| CHEMBL1201203 | 1234 | 18 | None | None | None | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | |||
| DB00245 | 1234 | 18 | None | None | None | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | |||
| 1757 | 270505 | 11 | None | None | None | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1016/s0960-894x(98)00351-5 | |||
| 23724781 | 270505 | 11 | None | None | None | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1016/s0960-894x(98)00351-5 | |||
| 71183 | 270505 | 11 | None | None | None | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1016/s0960-894x(98)00351-5 | |||
| CHEMBL1354199 | 270505 | 11 | None | None | None | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1016/s0960-894x(98)00351-5 | |||
| CHEMBL376897 | 270505 | 11 | None | None | None | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1016/s0960-894x(98)00351-5 | |||
| DB00462 | 270505 | 11 | None | None | None | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1016/s0960-894x(98)00351-5 | |||
| DB11315 | 270505 | 11 | None | None | None | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1016/s0960-894x(98)00351-5 | |||
| 3042 | 2911 | 27 | None | None | None | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | |||
| 355 | 2911 | 27 | None | None | None | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | |||
| 868 | 2911 | 27 | None | None | None | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | |||
| CHEMBL1123 | 2911 | 27 | None | None | None | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | |||
| DB00804 | 2911 | 27 | None | None | None | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | |||
| 13457913 | 468532 | 0 | None | None | None | Rat | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 348 | 6 | 0 | 2 | 5.1 | CCCCCCN1CCN2CC(c3ccccc3)c3ccccc3C2C1 | 10.1021/jm00374a011 | |||
| CHEMBL6638 | 468532 | 0 | None | None | None | Rat | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 348 | 6 | 0 | 2 | 5.1 | CCCCCCN1CCN2CC(c3ccccc3)c3ccccc3C2C1 | 10.1021/jm00374a011 | |||
| 44302834 | 467155 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 454 | 4 | 1 | 5 | 5.9 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(Oc4ccccc4)ccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | |||
| CHEMBL61700 | 467155 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 454 | 4 | 1 | 5 | 5.9 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(Oc4ccccc4)ccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | |||
| 10782321 | 26395 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 325 | 7 | 0 | 4 | 4.3 | CCCCCc1noc(C2CN(CC)CC=C2c2ccccc2)n1 | 10.1021/jm980067l | |||
| CHEMBL1184098 | 26395 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 325 | 7 | 0 | 4 | 4.3 | CCCCCc1noc(C2CN(CC)CC=C2c2ccccc2)n1 | 10.1021/jm980067l | |||
| 162522975 | 386139 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 429 | 4 | 1 | 6 | 2.9 | O=C(Nc1ccc2scnc2c1)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C1 | 10.1016/j.bmcl.2022.129021 | |||
| 162523022 | 386139 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 429 | 4 | 1 | 6 | 2.9 | O=C(Nc1ccc2scnc2c1)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C1 | 10.1016/j.bmcl.2022.129021 | |||
| 162523058 | 386139 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 429 | 4 | 1 | 6 | 2.9 | O=C(Nc1ccc2scnc2c1)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C1 | 10.1016/j.bmcl.2022.129021 | |||
| CHEMBL5270452 | 386139 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 429 | 4 | 1 | 6 | 2.9 | O=C(Nc1ccc2scnc2c1)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C1 | 10.1016/j.bmcl.2022.129021 | |||
| CHEMBL5275437 | 386139 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 429 | 4 | 1 | 6 | 2.9 | O=C(Nc1ccc2scnc2c1)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C1 | 10.1016/j.bmcl.2022.129021 | |||
| CHEMBL5277011 | 386139 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 429 | 4 | 1 | 6 | 2.9 | O=C(Nc1ccc2scnc2c1)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C1 | 10.1016/j.bmcl.2022.129021 | |||
| 13457938 | 387713 | 0 | None | None | None | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 294 | 1 | 1 | 3 | 2.8 | CN1CCN2CC(c3ccc(O)cc3)c3ccccc3C2C1 | 10.1021/jm00374a011 | |||
| CHEMBL540195 | 387713 | 0 | None | None | None | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 294 | 1 | 1 | 3 | 2.8 | CN1CCN2CC(c3ccc(O)cc3)c3ccccc3C2C1 | 10.1021/jm00374a011 | |||
| 10082470 | 105932 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 227 | 2 | 0 | 5 | 2.0 | CSc1nsnc1C1=CCCN(C)C1 | 10.1021/jm9705216 | |||
| CHEMBL15944 | 105932 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 227 | 2 | 0 | 5 | 2.0 | CSc1nsnc1C1=CCCN(C)C1 | 10.1021/jm9705216 | |||
| 10782462 | 26385 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 327 | 5 | 0 | 3 | 4.1 | CCN1CC=C(c2ccccc2)C(C(=O)OCC2CCCCC2)C1 | 10.1021/jm980067l | |||
| CHEMBL1184068 | 26385 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 327 | 5 | 0 | 3 | 4.1 | CCN1CC=C(c2ccccc2)C(C(=O)OCC2CCCCC2)C1 | 10.1021/jm980067l | |||
| 2274 | 6448 | 36 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | |||
| 4917 | 6448 | 36 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | |||
| 7279 | 6448 | 36 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | |||
| CHEMBL728 | 6448 | 36 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | |||
| DB00433 | 6448 | 36 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | |||
| 10686988 | 26460 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 317 | 8 | 0 | 3 | 4.2 | CCCCCCOC(=O)[C@H]1CN(CC)CC[C@H]1c1ccccc1 | 10.1021/jm980067l | |||
| CHEMBL1184244 | 26460 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 317 | 8 | 0 | 3 | 4.2 | CCCCCCOC(=O)[C@H]1CN(CC)CC[C@H]1c1ccccc1 | 10.1021/jm980067l | |||
| 3168 | 23567 | 68 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | nan | |||
| 966 | 23567 | 68 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | nan | |||
| CHEMBL1108 | 23567 | 68 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | nan | |||
| DB00450 | 23567 | 68 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | nan | |||
| 10846833 | 103045 | 0 | None | None | None | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 225 | 0 | 0 | 5 | 1.7 | CN1CCC2=C(C1)c1nsnc1SC2 | 10.1021/jm9705216 | |||
| CHEMBL15675 | 103045 | 0 | None | None | None | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 225 | 0 | 0 | 5 | 1.7 | CN1CCC2=C(C1)c1nsnc1SC2 | 10.1021/jm9705216 | |||
| 10785471 | 232751 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 371 | 12 | 0 | 3 | 5.9 | CCCCCCCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | |||
| CHEMBL332320 | 232751 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 371 | 12 | 0 | 3 | 5.9 | CCCCCCCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | |||
| 10760249 | 25700 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 4.3 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(C)cc2)C1 | 10.1021/jm301774u | |||
| CHEMBL1180285 | 25700 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 4.3 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(C)cc2)C1 | 10.1021/jm301774u | |||
| 10760249 | 25700 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 4.3 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(C)cc2)C1 | 10.1021/jm980067l | |||
| CHEMBL1180285 | 25700 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 4.3 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(C)cc2)C1 | 10.1021/jm980067l | |||
| 162523114 | 385254 | 0 | None | None | None | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 443 | 4 | 1 | 6 | 3.3 | O=C(Nc1ccc2scnc2c1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1016/j.bmcl.2022.129021 | |||
| CHEMBL5219691 | 385254 | 0 | None | None | None | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 443 | 4 | 1 | 6 | 3.3 | O=C(Nc1ccc2scnc2c1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1016/j.bmcl.2022.129021 | |||
| 2726 | 1895 | 54 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
| 621 | 1895 | 54 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
| 83 | 1895 | 54 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
| CHEMBL71 | 1895 | 54 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
| DB00477 | 1895 | 54 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
| 2551 | 1644 | 11 | None | None | None | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/s0960-894x(98)00351-5 | |||
| 298 | 1644 | 11 | None | None | None | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/s0960-894x(98)00351-5 | |||
| 488 | 1644 | 11 | None | None | None | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/s0960-894x(98)00351-5 | |||
| 5831 | 1644 | 11 | None | None | None | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/s0960-894x(98)00351-5 | |||
| CHEMBL965 | 1644 | 11 | None | None | None | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/s0960-894x(98)00351-5 | |||
| DB00411 | 1644 | 11 | None | None | None | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/s0960-894x(98)00351-5 | |||
| 10684720 | 26365 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 287 | 6 | 0 | 3 | 3.5 | CCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | |||
| CHEMBL1183926 | 26365 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 287 | 6 | 0 | 3 | 3.5 | CCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | |||
| 10593954 | 27336 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 349 | 7 | 0 | 3 | 4.2 | CCN1CC=C(c2ccccc2)C(C(=O)OCCCc2ccccc2)C1 | 10.1021/jm980067l | |||
| CHEMBL1190178 | 27336 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 349 | 7 | 0 | 3 | 4.2 | CCN1CC=C(c2ccccc2)C(C(=O)OCCCc2ccccc2)C1 | 10.1021/jm980067l | |||
| 1016 | 8173 | 46 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | 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 | 5.6 | pIC50 | = | 5.6 | 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 | 5.6 | pIC50 | = | 5.6 | 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 | 5.6 | pIC50 | = | 5.6 | 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 | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
| 3158 | 18465 | 32 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CC/C=C1/c2ccccc2COc2ccccc21 | nan | |||
| 667468 | 18465 | 32 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CC/C=C1/c2ccccc2COc2ccccc21 | nan | |||
| 956 | 18465 | 32 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CC/C=C1/c2ccccc2COc2ccccc21 | nan | |||
| CHEMBL101740 | 18465 | 32 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CC/C=C1/c2ccccc2COc2ccccc21 | nan | |||
| CHEMBL1628227 | 18465 | 32 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CC/C=C1/c2ccccc2COc2ccccc21 | nan | |||
| DB01142 | 18465 | 32 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CC/C=C1/c2ccccc2COc2ccccc21 | nan | |||
| DB14750 | 18465 | 32 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CC/C=C1/c2ccccc2COc2ccccc21 | nan | |||
| 13457435 | 468549 | 0 | None | None | None | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 252 | 3 | 2 | 2 | 2.7 | CNCC1NCC(c2ccccc2)c2ccccc21 | 10.1021/jm00374a011 | |||
| CHEMBL6649 | 468549 | 0 | None | None | None | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 252 | 3 | 2 | 2 | 2.7 | CNCC1NCC(c2ccccc2)c2ccccc21 | 10.1021/jm00374a011 | |||
| 49853884 | 181500 | 0 | None | None | None | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 265 | 3 | 1 | 3 | 1.2 | O=C(CN1CCN2CCC[C@H]2C1)NC1CCCCC1 | 10.1016/j.bmc.2013.02.058 | |||
| CHEMBL2391353 | 181500 | 0 | None | None | None | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 265 | 3 | 1 | 3 | 1.2 | O=C(CN1CCN2CCC[C@H]2C1)NC1CCCCC1 | 10.1016/j.bmc.2013.02.058 | |||
| 5318 | 39468 | 43 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
| CHEMBL1221 | 39468 | 43 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
| DB06820 | 39468 | 43 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
| 10755732 | 26392 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 287 | 6 | 0 | 3 | 3.4 | CCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | |||
| CHEMBL1184092 | 26392 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 287 | 6 | 0 | 3 | 3.4 | CCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | |||
| 44302728 | 412789 | 0 | None | None | None | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 422 | 4 | 1 | 6 | 4.1 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)c(OC)cc2C1O3 | 10.1016/s0960-894x(98)00351-5 | |||
| CHEMBL58228 | 412789 | 0 | None | None | None | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 422 | 4 | 1 | 6 | 4.1 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)c(OC)cc2C1O3 | 10.1016/s0960-894x(98)00351-5 | |||
| 1971 | 5840 | 38 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | |||
| 2404 | 5840 | 38 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | |||
| 4543 | 5840 | 38 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | |||
| CHEMBL445 | 5840 | 38 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | |||
| DB00540 | 5840 | 38 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | |||
| 162523124 | 386948 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 441 | 4 | 1 | 6 | 2.9 | O=C(Nc1ccc2scnc2c1)C12CC1CN(S(=O)(=O)c1ccc3c(c1)CCO3)C2 | 10.1016/j.bmcl.2022.129021 | |||
| CHEMBL5289488 | 386948 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 441 | 4 | 1 | 6 | 2.9 | O=C(Nc1ccc2scnc2c1)C12CC1CN(S(=O)(=O)c1ccc3c(c1)CCO3)C2 | 10.1016/j.bmcl.2022.129021 | |||
| 10591874 | 27573 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 321 | 5 | 0 | 3 | 3.9 | CCN1CCC(c2ccccc2)=C(C(=O)OCc2ccccc2)C1 | 10.1021/jm980067l | |||
| CHEMBL1192001 | 27573 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 321 | 5 | 0 | 3 | 3.9 | CCN1CCC(c2ccccc2)=C(C(=O)OCc2ccccc2)C1 | 10.1021/jm980067l | |||
| 1999 | 473057 | 30 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | |||
| 4601 | 473057 | 30 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | |||
| CHEMBL900 | 473057 | 30 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | |||
| DB01173 | 473057 | 30 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | |||
| 2090 | 389838 | 56 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | nan | |||
| 4735 | 389838 | 56 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | nan | |||
| CHEMBL55 | 389838 | 56 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | nan | |||
| DB00738 | 389838 | 56 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | nan | |||
| 162523002 | 386333 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 444 | 4 | 1 | 7 | 3.6 | O=C(Nc1ccc2scnc2c1)[C@@H]1CCN(S(=O)(=O)c2ccc3ncsc3c2)C1 | 10.1016/j.bmcl.2022.129021 | |||
| CHEMBL5274958 | 386333 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 444 | 4 | 1 | 7 | 3.6 | O=C(Nc1ccc2scnc2c1)[C@@H]1CCN(S(=O)(=O)c2ccc3ncsc3c2)C1 | 10.1016/j.bmcl.2022.129021 | |||
| 124087 | 2860 | 75 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | |||
| 7157 | 2860 | 75 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | |||
| 814 | 2860 | 75 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | |||
| CHEMBL1172 | 2860 | 75 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | |||
| DB00967 | 2860 | 75 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | |||
| 10757736 | 26198 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 315 | 4 | 0 | 3 | 4.0 | CCN1CC[C@@H](c2ccccc2)[C@H](C(=O)OC2CCCCC2)C1 | 10.1021/jm980067l | |||
| 10852843 | 26198 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 315 | 4 | 0 | 3 | 4.0 | CCN1CC[C@@H](c2ccccc2)[C@H](C(=O)OC2CCCCC2)C1 | 10.1021/jm980067l | |||
| CHEMBL1182713 | 26198 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 315 | 4 | 0 | 3 | 4.0 | CCN1CC[C@@H](c2ccccc2)[C@H](C(=O)OC2CCCCC2)C1 | 10.1021/jm980067l | |||
| CHEMBL120135 | 26198 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 315 | 4 | 0 | 3 | 4.0 | CCN1CC[C@@H](c2ccccc2)[C@H](C(=O)OC2CCCCC2)C1 | 10.1021/jm980067l | |||
| 2028 | 6066 | 59 | None | None | None | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | |||
| 359 | 6066 | 59 | None | None | None | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | |||
| 4634 | 6066 | 59 | None | None | None | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | |||
| CHEMBL1231 | 6066 | 59 | None | None | None | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | |||
| DB01062 | 6066 | 59 | None | None | None | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | |||
| 277 | 2680 | 45 | None | None | None | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | |||
| 2913 | 2680 | 45 | None | None | None | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | |||
| 765 | 2680 | 45 | None | None | None | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | |||
| CHEMBL516 | 2680 | 45 | None | None | None | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | |||
| DB00434 | 2680 | 45 | None | None | None | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | |||
| 25070582 | 124212 | 27 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 239 | 2 | 1 | 3 | 1.8 | c1ccc(Cc2ncc3c(n2)CCNCC3)cc1 | 10.1016/j.bmcl.2010.11.120 | |||
| CHEMBL1770373 | 124212 | 27 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 239 | 2 | 1 | 3 | 1.8 | c1ccc(Cc2ncc3c(n2)CCNCC3)cc1 | 10.1016/j.bmcl.2010.11.120 | |||
| 1427 | 4113 | 43 | None | None | None | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1021/jm00374a011 | |||
| 357 | 4113 | 43 | None | None | None | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1021/jm00374a011 | |||
| 3696 | 4113 | 43 | None | None | None | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1021/jm00374a011 | |||
| CHEMBL11 | 4113 | 43 | None | None | None | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1021/jm00374a011 | |||
| DB00458 | 4113 | 43 | None | None | None | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1021/jm00374a011 | |||
| 2337 | 6622 | 53 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | |||
| 50 | 6622 | 53 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | |||
| 5002 | 6622 | 53 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | |||
| CHEMBL716 | 6622 | 53 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | |||
| DB01224 | 6622 | 53 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | |||
| 15730 | 143349 | 64 | None | None | None | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 206 | 7 | 1 | 1 | 4.3 | CCCCCCCCc1ccc(O)cc1 | nan | |||
| CHEMBL195437 | 143349 | 64 | None | None | None | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 206 | 7 | 1 | 1 | 4.3 | CCCCCCCCc1ccc(O)cc1 | nan | |||
| 10518821 | 26398 | 0 | None | None | None | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 307 | 4 | 0 | 3 | 3.6 | CCN1CC=C(c2ccccc2)C(C(=O)Oc2ccccc2)C1 | 10.1021/jm980067l | |||
| CHEMBL1184108 | 26398 | 0 | None | None | None | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 307 | 4 | 0 | 3 | 3.6 | CCN1CC=C(c2ccccc2)C(C(=O)Oc2ccccc2)C1 | 10.1021/jm980067l | |||
| 10573693 | 25707 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 411 | 7 | 0 | 3 | 5.5 | CCN1CCC(c2ccccc2)=C(C(=O)OCC(c2ccccc2)c2ccccc2)C1 | 10.1021/jm980067l | |||
| CHEMBL1180305 | 25707 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 411 | 7 | 0 | 3 | 5.5 | CCN1CCC(c2ccccc2)=C(C(=O)OCC(c2ccccc2)c2ccccc2)C1 | 10.1021/jm980067l | |||
| 2180 | 140074 | 14 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | nan | |||
| 6761 | 140074 | 14 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | nan | |||
| CHEMBL1909072 | 140074 | 14 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | nan | |||
| 10660 | 2953 | 69 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | |||
| 1224 | 2953 | 69 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | |||
| 3100 | 2953 | 69 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | |||
| 441281 | 2953 | 69 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | |||
| 8980 | 2953 | 69 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | |||
| 916 | 2953 | 69 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | |||
| CHEMBL1200406 | 2953 | 69 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | |||
| CHEMBL657 | 2953 | 69 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | |||
| DB00985 | 2953 | 69 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | |||
| DB01075 | 2953 | 69 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | |||
| DB13636 | 2953 | 69 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | |||
| 135 | 5144 | 38 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | |||
| 1796 | 5144 | 38 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | |||
| 4184 | 5144 | 38 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | |||
| CHEMBL6437 | 5144 | 38 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | |||
| DB06148 | 5144 | 38 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | |||
| 1738 | 66130 | 28 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | nan | |||
| 4098 | 66130 | 28 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | nan | |||
| 8667 | 66130 | 28 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | nan | |||
| CHEMBL1411979 | 66130 | 28 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | nan | |||
| DB04819 | 66130 | 28 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | nan | |||
| 10522336 | 39028 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 357 | 11 | 0 | 3 | 5.3 | CCCCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | |||
| CHEMBL120972 | 39028 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 357 | 11 | 0 | 3 | 5.3 | CCCCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | |||
| 10664532 | 26383 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 335 | 6 | 0 | 3 | 3.8 | CCN1CC=C(c2ccccc2)C(C(=O)OCCc2ccccc2)C1 | 10.1021/jm980067l | |||
| CHEMBL1184064 | 26383 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 335 | 6 | 0 | 3 | 3.8 | CCN1CC=C(c2ccccc2)C(C(=O)OCCc2ccccc2)C1 | 10.1021/jm980067l | |||
| 3191 | 202914 | 68 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | |||
| 977 | 202914 | 68 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | |||
| CHEMBL305660 | 202914 | 68 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | |||
| DB11742 | 202914 | 68 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | |||
| 2800 | 159972 | 9 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 306 | 9 | 0 | 2 | 3.8 | CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1 | nan | |||
| 5648 | 159972 | 9 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 306 | 9 | 0 | 2 | 3.8 | CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1 | nan | |||
| CHEMBL2111176 | 159972 | 9 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 306 | 9 | 0 | 2 | 3.8 | CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1 | nan | |||
| DB13497 | 159972 | 9 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 306 | 9 | 0 | 2 | 3.8 | CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1 | nan | |||
| 2200 | 6369 | 35 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm980067l | |||
| 328 | 6369 | 35 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm980067l | |||
| 4848 | 6369 | 35 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm980067l | |||
| CHEMBL9967 | 6369 | 35 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm980067l | |||
| DB00670 | 6369 | 35 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm980067l | |||
| 10851853 | 26459 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 301 | 7 | 0 | 3 | 3.9 | CCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | |||
| CHEMBL1184242 | 26459 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 301 | 7 | 0 | 3 | 3.9 | CCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | |||
| 260 | 8417 | 32 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 284 | 2 | 1 | 3 | 3.0 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)c1c[nH]c2c1cccc2 | nan | |||
| 2775 | 8417 | 32 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 284 | 2 | 1 | 3 | 3.0 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)c1c[nH]c2c1cccc2 | nan | |||
| 656665 | 8417 | 32 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 284 | 2 | 1 | 3 | 3.0 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)c1c[nH]c2c1cccc2 | nan | |||
| CHEMBL56564 | 8417 | 32 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 284 | 2 | 1 | 3 | 3.0 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)c1c[nH]c2c1cccc2 | nan | |||
| DB11699 | 8417 | 32 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 284 | 2 | 1 | 3 | 3.0 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)c1c[nH]c2c1cccc2 | nan | |||
| 162522975 | 386139 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 429 | 4 | 1 | 6 | 2.9 | O=C(Nc1ccc2scnc2c1)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C1 | 10.1016/j.bmcl.2022.129021 | |||
| 162523022 | 386139 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 429 | 4 | 1 | 6 | 2.9 | O=C(Nc1ccc2scnc2c1)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C1 | 10.1016/j.bmcl.2022.129021 | |||
| 162523058 | 386139 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 429 | 4 | 1 | 6 | 2.9 | O=C(Nc1ccc2scnc2c1)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C1 | 10.1016/j.bmcl.2022.129021 | |||
| CHEMBL5270452 | 386139 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 429 | 4 | 1 | 6 | 2.9 | O=C(Nc1ccc2scnc2c1)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C1 | 10.1016/j.bmcl.2022.129021 | |||
| CHEMBL5275437 | 386139 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 429 | 4 | 1 | 6 | 2.9 | O=C(Nc1ccc2scnc2c1)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C1 | 10.1016/j.bmcl.2022.129021 | |||
| CHEMBL5277011 | 386139 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 429 | 4 | 1 | 6 | 2.9 | O=C(Nc1ccc2scnc2c1)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C1 | 10.1016/j.bmcl.2022.129021 | |||
| 162523091 | 386310 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 443 | 4 | 1 | 6 | 3.1 | C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@@H]1C(=O)Nc1ccc2scnc2c1 | 10.1016/j.bmcl.2022.129021 | |||
| CHEMBL5274311 | 386310 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 443 | 4 | 1 | 6 | 3.1 | C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@@H]1C(=O)Nc1ccc2scnc2c1 | 10.1016/j.bmcl.2022.129021 | |||
| 162523062 | 386023 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 438 | 4 | 1 | 6 | 3.5 | O=C(Nc1ccc2scnc2c1)[C@@H]1CCN(S(=O)(=O)c2ccc3ncccc3c2)C1 | 10.1016/j.bmcl.2022.129021 | |||
| CHEMBL5267268 | 386023 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 438 | 4 | 1 | 6 | 3.5 | O=C(Nc1ccc2scnc2c1)[C@@H]1CCN(S(=O)(=O)c2ccc3ncccc3c2)C1 | 10.1016/j.bmcl.2022.129021 | |||
| 162523086 | 386145 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 431 | 4 | 1 | 7 | 2.7 | O=C(Nc1ccc2scnc2c1)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)OCO3)C1 | 10.1016/j.bmcl.2022.129021 | |||
| CHEMBL5270574 | 386145 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 431 | 4 | 1 | 7 | 2.7 | O=C(Nc1ccc2scnc2c1)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)OCO3)C1 | 10.1016/j.bmcl.2022.129021 | |||
| 13457929 | 197350 | 0 | None | None | None | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 323 | 2 | 0 | 4 | 3.0 | CN1CCN2CC(c3ccc([N+](=O)[O-])cc3)c3ccccc3C2C1 | 10.1021/jm00374a011 | |||
| CHEMBL266801 | 197350 | 0 | None | None | None | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 323 | 2 | 0 | 4 | 3.0 | CN1CCN2CC(c3ccc([N+](=O)[O-])cc3)c3ccccc3C2C1 | 10.1021/jm00374a011 | |||
| 10549581 | 25726 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 411 | 7 | 0 | 3 | 5.4 | CCN1CC=C(c2ccccc2)C(C(=O)OCC(c2ccccc2)c2ccccc2)C1 | 10.1021/jm980067l | |||
| CHEMBL1180349 | 25726 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 411 | 7 | 0 | 3 | 5.4 | CCN1CC=C(c2ccccc2)C(C(=O)OCC(c2ccccc2)c2ccccc2)C1 | 10.1021/jm980067l | |||
| CHEMBL6067487 | 479737 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | None | None | None | None | nan | |||||
| 2338 | 461820 | 42 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | |||
| 237 | 461820 | 42 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | |||
| CHEMBL7568 | 461820 | 42 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | |||
| DB01103 | 461820 | 42 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | |||
| 1530 | 4450 | 49 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | |||
| 3827 | 4450 | 49 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | |||
| 7206 | 4450 | 49 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | |||
| CHEMBL534 | 4450 | 49 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | |||
| DB00920 | 4450 | 49 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | |||
| 10638050 | 25692 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 301 | 7 | 0 | 3 | 3.8 | CCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | |||
| CHEMBL1180202 | 25692 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 301 | 7 | 0 | 3 | 3.8 | CCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | |||
| 44302741 | 466279 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 4.5 | CCCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | |||
| CHEMBL61412 | 466279 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 4.5 | CCCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | |||
| 44302776 | 202432 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 376 | 2 | 1 | 4 | 4.4 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(C)ccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | |||
| CHEMBL303758 | 202432 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 376 | 2 | 1 | 4 | 4.4 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(C)ccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | |||
| 1353 | 3909 | 69 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | |||
| 3559 | 3909 | 69 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | |||
| 86 | 3909 | 69 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | |||
| CHEMBL54 | 3909 | 69 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | |||
| DB00502 | 3909 | 69 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | |||
| 2286 | 6468 | 43 | None | None | None | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | |||
| 4927 | 6468 | 43 | None | None | None | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | |||
| 7282 | 6468 | 43 | None | None | None | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | |||
| CHEMBL643 | 6468 | 43 | None | None | None | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | |||
| DB01069 | 6468 | 43 | None | None | None | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | |||
| 135398745 | 5933 | 69 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | |||
| 1982 | 5933 | 69 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | |||
| 4585 | 5933 | 69 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | |||
| 47 | 5933 | 69 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | |||
| CHEMBL715 | 5933 | 69 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | |||
| DB00334 | 5933 | 69 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | |||
| 1688 | 296777 | 35 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | nan | |||
| 6075 | 296777 | 35 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | nan | |||
| CHEMBL395110 | 296777 | 35 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | nan | |||
| 10854879 | 25694 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 343 | 10 | 0 | 3 | 4.9 | CCCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | |||
| CHEMBL1180239 | 25694 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 343 | 10 | 0 | 3 | 4.9 | CCCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | |||
| 13457439 | 317315 | 0 | None | None | None | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 266 | 3 | 1 | 2 | 3.0 | CN(C)CC1NCC(c2ccccc2)c2ccccc21 | 10.1021/jm00374a011 | |||
| CHEMBL414182 | 317315 | 0 | None | None | None | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 266 | 3 | 1 | 2 | 3.0 | CN(C)CC1NCC(c2ccccc2)c2ccccc21 | 10.1021/jm00374a011 | |||
| 13457932 | 468278 | 0 | None | None | None | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 293 | 1 | 1 | 3 | 2.7 | CN1CCN2CC(c3ccc(N)cc3)c3ccccc3C2C1 | 10.1021/jm00374a011 | |||
| CHEMBL6455 | 468278 | 0 | None | None | None | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 293 | 1 | 1 | 3 | 2.7 | CN1CCN2CC(c3ccc(N)cc3)c3ccccc3C2C1 | 10.1021/jm00374a011 | |||
| 10755733 | 25705 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 287 | 5 | 0 | 3 | 3.4 | CCN1CCC(c2ccccc2)=C(C(=O)OCC(C)C)C1 | 10.1021/jm980067l | |||
| CHEMBL1180297 | 25705 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 287 | 5 | 0 | 3 | 3.4 | CCN1CCC(c2ccccc2)=C(C(=O)OCC(C)C)C1 | 10.1021/jm980067l | |||
| 44302788 | 448448 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 378 | 2 | 1 | 5 | 3.7 | COC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | |||
| CHEMBL59939 | 448448 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 378 | 2 | 1 | 5 | 3.7 | COC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | |||
| 10777692 | 25704 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 259 | 4 | 0 | 3 | 2.6 | CCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | |||
| CHEMBL1180296 | 25704 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 259 | 4 | 0 | 3 | 2.6 | CCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | |||
| 44302813 | 202036 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 362 | 2 | 1 | 4 | 4.1 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2ccccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | |||
| CHEMBL301041 | 202036 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 362 | 2 | 1 | 4 | 4.1 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2ccccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | |||
| 10663572 | 27418 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 321 | 5 | 0 | 3 | 3.8 | CCN1CC=C(c2ccccc2)C(C(=O)OCc2ccccc2)C1 | 10.1021/jm980067l | |||
| CHEMBL1190784 | 27418 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 321 | 5 | 0 | 3 | 3.8 | CCN1CC=C(c2ccccc2)C(C(=O)OCc2ccccc2)C1 | 10.1021/jm980067l | |||
| 10688349 | 26407 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 337 | 6 | 0 | 3 | 3.9 | CCN1CC[C@@H](c2ccccc2)[C@@H](C(=O)OCCc2ccccc2)C1 | 10.1021/jm980067l | |||
| 10759393 | 26407 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 337 | 6 | 0 | 3 | 3.9 | CCN1CC[C@@H](c2ccccc2)[C@@H](C(=O)OCCc2ccccc2)C1 | 10.1021/jm980067l | |||
| CHEMBL1184138 | 26407 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 337 | 6 | 0 | 3 | 3.9 | CCN1CC[C@@H](c2ccccc2)[C@@H](C(=O)OCCc2ccccc2)C1 | 10.1021/jm980067l | |||
| CHEMBL2219563 | 26407 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 337 | 6 | 0 | 3 | 3.9 | CCN1CC[C@@H](c2ccccc2)[C@@H](C(=O)OCCc2ccccc2)C1 | 10.1021/jm980067l | |||
| 10468793 | 468524 | 0 | None | None | None | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 278 | 1 | 0 | 2 | 3.1 | CN1CCN2CC(c3ccccc3)c3ccccc3C2C1 | 10.1021/jm00374a011 | |||
| CHEMBL6627 | 468524 | 0 | None | None | None | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 278 | 1 | 0 | 2 | 3.1 | CN1CCN2CC(c3ccccc3)c3ccccc3C2C1 | 10.1021/jm00374a011 | |||
| 44302793 | 433128 | 0 | None | None | None | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 350 | 2 | 1 | 4 | 3.9 | COc1cc2c(cc1OC)C1Oc3ccc4[nH]c(C)cc4c3CN1CC2 | 10.1016/s0960-894x(98)00351-5 | |||
| CHEMBL59347 | 433128 | 0 | None | None | None | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 350 | 2 | 1 | 4 | 3.9 | COc1cc2c(cc1OC)C1Oc3ccc4[nH]c(C)cc4c3CN1CC2 | 10.1016/s0960-894x(98)00351-5 | |||
| 2599 | 116531 | 16 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OCC3COC(Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | |||
| 5404 | 116531 | 16 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OCC3COC(Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | |||
| CHEMBL1714574 | 116531 | 16 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OCC3COC(Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | |||
| 162522975 | 386139 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 429 | 4 | 1 | 6 | 2.9 | O=C(Nc1ccc2scnc2c1)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C1 | 10.1016/j.bmcl.2022.129021 | |||
| 162523022 | 386139 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 429 | 4 | 1 | 6 | 2.9 | O=C(Nc1ccc2scnc2c1)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C1 | 10.1016/j.bmcl.2022.129021 | |||
| 162523058 | 386139 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 429 | 4 | 1 | 6 | 2.9 | O=C(Nc1ccc2scnc2c1)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C1 | 10.1016/j.bmcl.2022.129021 | |||
| CHEMBL5270452 | 386139 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 429 | 4 | 1 | 6 | 2.9 | O=C(Nc1ccc2scnc2c1)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C1 | 10.1016/j.bmcl.2022.129021 | |||
| CHEMBL5275437 | 386139 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 429 | 4 | 1 | 6 | 2.9 | O=C(Nc1ccc2scnc2c1)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C1 | 10.1016/j.bmcl.2022.129021 | |||
| CHEMBL5277011 | 386139 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 429 | 4 | 1 | 6 | 2.9 | O=C(Nc1ccc2scnc2c1)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C1 | 10.1016/j.bmcl.2022.129021 | |||
| 2536 | 308773 | 12 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCNC(C)C(O)c1ccc(SC(C)C)cc1 | nan | |||
| 5354 | 308773 | 12 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCNC(C)C(O)c1ccc(SC(C)C)cc1 | nan | |||
| CHEMBL404849 | 308773 | 12 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCNC(C)C(O)c1ccc(SC(C)C)cc1 | nan | |||
| 13457926 | 468448 | 0 | None | None | None | Rat | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 368 | 3 | 0 | 6 | 2.9 | CN1CCN2CC(c3ccc([N+](=O)[O-])cc3)c3ccc([N+](=O)[O-])cc3C2C1 | 10.1021/jm00374a011 | |||
| CHEMBL6575 | 468448 | 0 | None | None | None | Rat | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 368 | 3 | 0 | 6 | 2.9 | CN1CCN2CC(c3ccc([N+](=O)[O-])cc3)c3ccc([N+](=O)[O-])cc3C2C1 | 10.1021/jm00374a011 | |||
| 10468793 | 468524 | 0 | None | None | None | Rat | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 278 | 1 | 0 | 2 | 3.1 | CN1CCN2CC(c3ccccc3)c3ccccc3C2C1 | 10.1021/jm00374a011 | |||
| CHEMBL6627 | 468524 | 0 | None | None | None | Rat | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 278 | 1 | 0 | 2 | 3.1 | CN1CCN2CC(c3ccccc3)c3ccccc3C2C1 | 10.1021/jm00374a011 | |||
| 162522975 | 386139 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 429 | 4 | 1 | 6 | 2.9 | O=C(Nc1ccc2scnc2c1)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C1 | 10.1016/j.bmcl.2022.129021 | |||
| 162523022 | 386139 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 429 | 4 | 1 | 6 | 2.9 | O=C(Nc1ccc2scnc2c1)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C1 | 10.1016/j.bmcl.2022.129021 | |||
| 162523058 | 386139 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 429 | 4 | 1 | 6 | 2.9 | O=C(Nc1ccc2scnc2c1)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C1 | 10.1016/j.bmcl.2022.129021 | |||
| CHEMBL5270452 | 386139 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 429 | 4 | 1 | 6 | 2.9 | O=C(Nc1ccc2scnc2c1)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C1 | 10.1016/j.bmcl.2022.129021 | |||
| CHEMBL5275437 | 386139 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 429 | 4 | 1 | 6 | 2.9 | O=C(Nc1ccc2scnc2c1)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C1 | 10.1016/j.bmcl.2022.129021 | |||
| CHEMBL5277011 | 386139 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 429 | 4 | 1 | 6 | 2.9 | O=C(Nc1ccc2scnc2c1)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C1 | 10.1016/j.bmcl.2022.129021 | |||
| 11793999 | 26386 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 377 | 9 | 0 | 3 | 5.1 | CCN1CCC(c2ccccc2)=C(C(=O)OCCCCCc2ccccc2)C1 | 10.1021/jm980067l | |||
| CHEMBL1184074 | 26386 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 377 | 9 | 0 | 3 | 5.1 | CCN1CCC(c2ccccc2)=C(C(=O)OCCCCCc2ccccc2)C1 | 10.1021/jm980067l | |||
| 44302755 | 466582 | 0 | None | None | None | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 408 | 4 | 1 | 6 | 3.8 | CCOC(=O)c1c[nH]c2ccc3c(c12)CN1CCc2cc(OC)c(OC)cc2C1O3 | 10.1016/s0960-894x(98)00351-5 | |||
| CHEMBL61494 | 466582 | 0 | None | None | None | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 408 | 4 | 1 | 6 | 3.8 | CCOC(=O)c1c[nH]c2ccc3c(c12)CN1CCc2cc(OC)c(OC)cc2C1O3 | 10.1016/s0960-894x(98)00351-5 | |||
| 44302900 | 467878 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 406 | 3 | 1 | 5 | 4.5 | COc1ccc2c(c1)CCN1Cc3c(ccc4[nH]c(C)c(C(=O)OC(C)C)c34)OC21 | 10.1016/s0960-894x(98)00351-5 | |||
| CHEMBL62251 | 467878 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 406 | 3 | 1 | 5 | 4.5 | COc1ccc2c(c1)CCN1Cc3c(ccc4[nH]c(C)c(C(=O)OC(C)C)c34)OC21 | 10.1016/s0960-894x(98)00351-5 | |||
| 10784004 | 27642 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 349 | 7 | 0 | 3 | 4.3 | CCN1CCC(c2ccccc2)=C(C(=O)OCCCc2ccccc2)C1 | 10.1021/jm980067l | |||
| CHEMBL1192621 | 27642 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 349 | 7 | 0 | 3 | 4.3 | CCN1CCC(c2ccccc2)=C(C(=O)OCCCc2ccccc2)C1 | 10.1021/jm980067l | |||
| 10666533 | 25709 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 365 | 7 | 0 | 4 | 3.8 | CCN1CC=C(c2ccccc2)C(C(=O)OCCc2ccc(OC)cc2)C1 | 10.1021/jm980067l | |||
| CHEMBL1180310 | 25709 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 365 | 7 | 0 | 4 | 3.8 | CCN1CC=C(c2ccccc2)C(C(=O)OCCc2ccc(OC)cc2)C1 | 10.1021/jm980067l | |||
| 167434636 | 392325 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 397 | 3 | 0 | 7 | 2.7 | Cc1ncc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3Cl)CC2)s1 | 10.1021/acs.jmedchem.4c01193 | |||
| CHEMBL5594532 | 392325 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 397 | 3 | 0 | 7 | 2.7 | Cc1ncc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3Cl)CC2)s1 | 10.1021/acs.jmedchem.4c01193 | |||
| 10761219 | 25708 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 363 | 8 | 0 | 3 | 4.6 | CCN1CC=C(c2ccccc2)C(C(=O)OCCCCc2ccccc2)C1 | 10.1021/jm980067l | |||
| CHEMBL1180309 | 25708 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 363 | 8 | 0 | 3 | 4.6 | CCN1CC=C(c2ccccc2)C(C(=O)OCCCCc2ccccc2)C1 | 10.1021/jm980067l | |||
| 46871844 | 21141 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 360 | 4 | 2 | 2 | 4.1 | C[C@H]1CNCC[C@@H]1CNC(=O)c1c(F)cccc1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.127 | |||
| CHEMBL1083925 | 21141 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 360 | 4 | 2 | 2 | 4.1 | C[C@H]1CNCC[C@@H]1CNC(=O)c1c(F)cccc1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.127 | |||
| 46871665 | 20925 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 346 | 4 | 2 | 2 | 3.9 | O=C(NCC1CCNCC1)c1ccccc1-c1cc(Cl)ccc1F | 10.1016/j.bmcl.2010.04.128 | |||
| CHEMBL1083108 | 20925 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 346 | 4 | 2 | 2 | 3.9 | O=C(NCC1CCNCC1)c1ccccc1-c1cc(Cl)ccc1F | 10.1016/j.bmcl.2010.04.128 | |||
| 2436 | 470362 | 35 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | |||
| 68617 | 470362 | 35 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | |||
| CHEMBL809 | 470362 | 35 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | |||
| DB01104 | 470362 | 35 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | |||
| 10567372 | 26402 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.1 | CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | |||
| CHEMBL1184119 | 26402 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.1 | CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | |||
| 2398 | 1965 | 48 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | |||
| 2801 | 1965 | 48 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | |||
| 701 | 1965 | 48 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | |||
| CHEMBL415 | 1965 | 48 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | |||
| DB01242 | 1965 | 48 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | |||
| 3468 | 350117 | 13 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | |||
| 4138 | 350117 | 13 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | |||
| CHEMBL459265 | 350117 | 13 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | |||
| DB00406 | 350117 | 13 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | |||
| 10592484 | 25712 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 329 | 9 | 0 | 3 | 4.5 | CCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | |||
| CHEMBL1180314 | 25712 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 329 | 9 | 0 | 3 | 4.5 | CCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | |||
| 10267601 | 26400 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 313 | 4 | 0 | 3 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OC2CCCCC2)C1 | 10.1021/jm980067l | |||
| CHEMBL1184116 | 26400 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 313 | 4 | 0 | 3 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OC2CCCCC2)C1 | 10.1021/jm980067l | |||
| 1379 | 116475 | 17 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 275 | 3 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)c1ccccc1)C2 | nan | |||
| 5282593 | 116475 | 17 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 275 | 3 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)c1ccccc1)C2 | nan | |||
| CHEMBL1618018 | 116475 | 17 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 275 | 3 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)c1ccccc1)C2 | nan | |||
| DB11181 | 116475 | 17 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 275 | 3 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)c1ccccc1)C2 | nan | |||
| 162523002 | 386333 | 0 | None | None | None | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 444 | 4 | 1 | 7 | 3.6 | O=C(Nc1ccc2scnc2c1)[C@@H]1CCN(S(=O)(=O)c2ccc3ncsc3c2)C1 | 10.1016/j.bmcl.2022.129021 | |||
| CHEMBL5274958 | 386333 | 0 | None | None | None | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 444 | 4 | 1 | 7 | 3.6 | O=C(Nc1ccc2scnc2c1)[C@@H]1CCN(S(=O)(=O)c2ccc3ncsc3c2)C1 | 10.1016/j.bmcl.2022.129021 | |||
| 10827157 | 25714 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 287 | 5 | 0 | 3 | 3.2 | CCN1CC=C(c2ccccc2)C(C(=O)OCC(C)C)C1 | 10.1021/jm980067l | |||
| CHEMBL1180317 | 25714 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 287 | 5 | 0 | 3 | 3.2 | CCN1CC=C(c2ccccc2)C(C(=O)OCC(C)C)C1 | 10.1021/jm980067l | |||
| 10641009 | 25703 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 341 | 6 | 0 | 3 | 4.7 | CCN1CCC(c2ccccc2)=C(C(=O)OCCC2CCCCC2)C1 | 10.1021/jm980067l | |||
| CHEMBL1180292 | 25703 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 341 | 6 | 0 | 3 | 4.7 | CCN1CCC(c2ccccc2)=C(C(=O)OCCC2CCCCC2)C1 | 10.1021/jm980067l | |||
| 13457941 | 468260 | 0 | None | None | None | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 308 | 2 | 0 | 3 | 3.1 | COc1ccc(C2CN3CCN(C)CC3c3ccccc32)cc1 | 10.1021/jm00374a011 | |||
| CHEMBL6446 | 468260 | 0 | None | None | None | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 308 | 2 | 0 | 3 | 3.1 | COc1ccc(C2CN3CCN(C)CC3c3ccccc32)cc1 | 10.1021/jm00374a011 | |||
| 10854880 | 25698 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 343 | 10 | 0 | 3 | 5.1 | CCCCCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | |||
| CHEMBL1180282 | 25698 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 343 | 10 | 0 | 3 | 5.1 | CCCCCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | |||
| 44302879 | 467505 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 348 | 1 | 1 | 4 | 3.7 | COC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2ccccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | |||
| CHEMBL61774 | 467505 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 348 | 1 | 1 | 4 | 3.7 | COC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2ccccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | |||
| CHEMBL1386 | 63288 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | None | None | None | None | nan | |||||
| 5310989 | 450338 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 378 | 3 | 1 | 5 | 3.8 | CCOC(=O)c1c[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | |||
| CHEMBL60142 | 450338 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 378 | 3 | 1 | 5 | 3.8 | CCOC(=O)c1c[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | |||
| 10636001 | 25702 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 273 | 5 | 0 | 3 | 3.1 | CCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | |||
| CHEMBL1180290 | 25702 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 273 | 5 | 0 | 3 | 3.1 | CCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | |||
| 2230 | 961 | 44 | None | None | None | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm9705216 | |||
| 296 | 961 | 44 | None | None | None | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm9705216 | |||
| CHEMBL7303 | 961 | 44 | None | None | None | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm9705216 | |||
| DB04365 | 961 | 44 | None | None | None | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm9705216 | |||
| 10567192 | 26367 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 313 | 4 | 0 | 3 | 3.9 | CCN1CC=C(c2ccccc2)C(C(=O)OC2CCCCC2)C1 | 10.1021/jm980067l | |||
| CHEMBL1183934 | 26367 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 313 | 4 | 0 | 3 | 3.9 | CCN1CC=C(c2ccccc2)C(C(=O)OC2CCCCC2)C1 | 10.1021/jm980067l | |||
| 13457435 | 468549 | 0 | None | None | None | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 252 | 3 | 2 | 2 | 2.7 | CNCC1NCC(c2ccccc2)c2ccccc21 | 10.1021/jm00374a011 | |||
| CHEMBL6649 | 468549 | 0 | None | None | None | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 252 | 3 | 2 | 2 | 2.7 | CNCC1NCC(c2ccccc2)c2ccccc21 | 10.1021/jm00374a011 | |||
| 100826 | 181501 | 45 | None | None | None | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 185 | 3 | 2 | 3 | -0.6 | CC(C)NC(=O)CN1CCNCC1 | 10.1016/j.bmc.2013.02.058 | |||
| CHEMBL2391356 | 181501 | 45 | None | None | None | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 185 | 3 | 2 | 3 | -0.6 | CC(C)NC(=O)CN1CCNCC1 | 10.1016/j.bmc.2013.02.058 | |||
| 46891179 | 20747 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 378 | 4 | 2 | 2 | 4.2 | C[C@H]1CNCC[C@]1(F)CNC(=O)c1c(F)cccc1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.127 | |||
| CHEMBL1082365 | 20747 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 378 | 4 | 2 | 2 | 4.2 | C[C@H]1CNCC[C@]1(F)CNC(=O)c1c(F)cccc1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.127 | |||
| 6726 | 2642 | 44 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| 7151 | 2642 | 44 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| 749 | 2642 | 44 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| CHEMBL648 | 2642 | 44 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| DB01176 | 2642 | 44 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| 2284 | 6466 | 25 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | |||
| 4926 | 6466 | 25 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | |||
| 7281 | 6466 | 25 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | |||
| CHEMBL564 | 6466 | 25 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | |||
| DB00420 | 6466 | 25 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | |||
| 13457903 | 311622 | 0 | None | None | None | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 306 | 3 | 0 | 2 | 3.9 | CCCN1CCN2CC(c3ccccc3)c3ccccc3C2C1 | 10.1021/jm00374a011 | |||
| CHEMBL404992 | 311622 | 0 | None | None | None | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 306 | 3 | 0 | 2 | 3.9 | CCCN1CCN2CC(c3ccccc3)c3ccccc3C2C1 | 10.1021/jm00374a011 | |||
| 13457441 | 468488 | 0 | None | None | None | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 266 | 4 | 2 | 2 | 3.1 | CCNCC1NCC(c2ccccc2)c2ccccc21 | 10.1021/jm00374a011 | |||
| CHEMBL6603 | 468488 | 0 | None | None | None | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 266 | 4 | 2 | 2 | 3.1 | CCNCC1NCC(c2ccccc2)c2ccccc21 | 10.1021/jm00374a011 | |||
| 2247 | 1042 | 63 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | 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 | 6.2 | pIC50 | = | 6.2 | 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 | 6.2 | pIC50 | = | 6.2 | 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 | 6.2 | pIC50 | = | 6.2 | 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 | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
| 68835 | 144509 | 48 | None | None | None | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 225 | 3 | 2 | 3 | 0.3 | O=C(CN1CCNCC1)NC1CCCCC1 | 10.1016/j.bmc.2013.02.058 | |||
| CHEMBL1983100 | 144509 | 48 | None | None | None | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 225 | 3 | 2 | 3 | 0.3 | O=C(CN1CCNCC1)NC1CCCCC1 | 10.1016/j.bmc.2013.02.058 | |||
| 10468793 | 468524 | 0 | None | None | None | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 278 | 1 | 0 | 2 | 3.1 | CN1CCN2CC(c3ccccc3)c3ccccc3C2C1 | 10.1021/jm00374a011 | |||
| CHEMBL6627 | 468524 | 0 | None | None | None | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 278 | 1 | 0 | 2 | 3.1 | CN1CCN2CC(c3ccccc3)c3ccccc3C2C1 | 10.1021/jm00374a011 | |||
| 49853883 | 181499 | 0 | None | None | None | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 265 | 3 | 1 | 3 | 1.2 | O=C(CN1CCN2CCC[C@@H]2C1)NC1CCCCC1 | 10.1016/j.bmc.2013.02.058 | |||
| CHEMBL2391352 | 181499 | 0 | None | None | None | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 265 | 3 | 1 | 3 | 1.2 | O=C(CN1CCN2CCC[C@@H]2C1)NC1CCCCC1 | 10.1016/j.bmc.2013.02.058 | |||
| 11498 | 6149 | 38 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 392 | 3 | 1 | 5 | 4.1 | CCOC(=O)c1c(C)[nH]c2c1c1CN3CCc4c(C3Oc1cc2)ccc(c4)OC | 10.1016/s0960-894x(98)00351-5 | |||
| 4995951 | 6149 | 38 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 392 | 3 | 1 | 5 | 4.1 | CCOC(=O)c1c(C)[nH]c2c1c1CN3CCc4c(C3Oc1cc2)ccc(c4)OC | 10.1016/s0960-894x(98)00351-5 | |||
| CHEMBL59898 | 6149 | 38 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 392 | 3 | 1 | 5 | 4.1 | CCOC(=O)c1c(C)[nH]c2c1c1CN3CCc4c(C3Oc1cc2)ccc(c4)OC | 10.1016/s0960-894x(98)00351-5 | |||
| 1547484 | 1937 | 56 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| 2761 | 1937 | 56 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| 654 | 1937 | 56 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| 9072 | 1937 | 56 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| CHEMBL43064 | 1937 | 56 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| DB00568 | 1937 | 56 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| 9974222 | 26195 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 335 | 6 | 0 | 3 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccccc2)C1 | 10.1021/jm980067l | |||
| CHEMBL1182709 | 26195 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 335 | 6 | 0 | 3 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccccc2)C1 | 10.1021/jm980067l | |||
| 107782 | 38381 | 16 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 472 | 4 | 4 | 6 | 2.0 | C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O | nan | |||
| 4667 | 38381 | 16 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 472 | 4 | 4 | 6 | 2.0 | C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O | nan | |||
| CHEMBL1201207 | 38381 | 16 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 472 | 4 | 4 | 6 | 2.0 | C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O | nan | |||
| DB14669 | 38381 | 16 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 472 | 4 | 4 | 6 | 2.0 | C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O | nan | |||
| 46890977 | 21061 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 342 | 4 | 2 | 2 | 4.0 | Cc1ccc(-c2ccccc2C(=O)NCC2CCNCC2)cc1Cl | 10.1016/j.bmcl.2010.04.128 | |||
| CHEMBL1083723 | 21061 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 342 | 4 | 2 | 2 | 4.0 | Cc1ccc(-c2ccccc2C(=O)NCC2CCNCC2)cc1Cl | 10.1016/j.bmcl.2010.04.128 | |||
| 180 | 829 | 44 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | |||
| 200 | 829 | 44 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | |||
| 2160 | 829 | 44 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | |||
| CHEMBL629 | 829 | 44 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | |||
| DB00321 | 829 | 44 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | |||
| 26987 | 1955 | 32 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | |||
| 6063 | 1955 | 32 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | |||
| 671 | 1955 | 32 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | |||
| CHEMBL1626 | 1955 | 32 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | |||
| DB00283 | 1955 | 32 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | |||
| 302 | 6062 | 14 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm9705216 | |||
| 4630 | 6062 | 14 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm9705216 | |||
| CHEMBL7634 | 6062 | 14 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm9705216 | |||
| 44302727 | 202025 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 392 | 3 | 1 | 5 | 4.1 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2ccc(OC)cc2C1O3 | 10.1016/s0960-894x(98)00351-5 | |||
| CHEMBL300987 | 202025 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 392 | 3 | 1 | 5 | 4.1 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2ccc(OC)cc2C1O3 | 10.1016/s0960-894x(98)00351-5 | |||
| 10808719 | 26403 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 363 | 8 | 0 | 3 | 4.7 | CCN1CCC(c2ccccc2)=C(C(=O)OCCCCc2ccccc2)C1 | 10.1021/jm980067l | |||
| CHEMBL1184120 | 26403 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 363 | 8 | 0 | 3 | 4.7 | CCN1CCC(c2ccccc2)=C(C(=O)OCCCCc2ccccc2)C1 | 10.1021/jm980067l | |||
| 10546275 | 39100 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 357 | 11 | 0 | 3 | 5.5 | CCCCCCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | |||
| CHEMBL121059 | 39100 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 357 | 11 | 0 | 3 | 5.5 | CCCCCCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | |||
| 191 | 833 | 62 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | |||
| 201 | 833 | 62 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | |||
| 2170 | 833 | 62 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | |||
| CHEMBL1113 | 833 | 62 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | |||
| DB00543 | 833 | 62 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | |||
| 13457898 | 468259 | 0 | None | None | None | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 264 | 1 | 1 | 2 | 2.8 | c1ccc(C2CN3CCNCC3c3ccccc32)cc1 | 10.1021/jm00374a011 | |||
| CHEMBL6445 | 468259 | 0 | None | None | None | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 264 | 1 | 1 | 2 | 2.8 | c1ccc(C2CN3CCNCC3c3ccccc32)cc1 | 10.1021/jm00374a011 | |||
| 1893 | 424177 | 48 | None | None | None | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 567 | 9 | 4 | 6 | 4.7 | Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C | nan | |||
| 64143 | 424177 | 48 | None | None | None | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 567 | 9 | 4 | 6 | 4.7 | Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C | nan | |||
| CHEMBL584 | 424177 | 48 | None | None | None | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 567 | 9 | 4 | 6 | 4.7 | Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C | nan | |||
| DB00220 | 424177 | 48 | None | None | None | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 567 | 9 | 4 | 6 | 4.7 | Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C | nan | |||
| 44302775 | 467876 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 4.5 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OCC)ccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | |||
| CHEMBL62247 | 467876 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 4.5 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OCC)ccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | |||
| 10595006 | 25722 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 365 | 7 | 0 | 4 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(OC)cc2)C1 | 10.1021/jm980067l | |||
| CHEMBL1180343 | 25722 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 365 | 7 | 0 | 4 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(OC)cc2)C1 | 10.1021/jm980067l | |||
| 10595006 | 25722 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 365 | 7 | 0 | 4 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(OC)cc2)C1 | 10.1021/jm301774u | |||
| CHEMBL1180343 | 25722 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 365 | 7 | 0 | 4 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(OC)cc2)C1 | 10.1021/jm301774u | |||
| 162523122 | 386305 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 443 | 4 | 1 | 6 | 3.1 | C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@@H]1C(=O)Nc1ccc2scnc2c1 | 10.1016/j.bmcl.2022.129021 | |||
| CHEMBL5274220 | 386305 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 443 | 4 | 1 | 6 | 3.1 | C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@@H]1C(=O)Nc1ccc2scnc2c1 | 10.1016/j.bmcl.2022.129021 | |||
| 2774 | 8415 | 68 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | nan | |||
| 5593 | 8415 | 68 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | nan | |||
| 688595 | 8415 | 68 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | nan | |||
| 7319 | 8415 | 68 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | nan | |||
| CHEMBL1200604 | 8415 | 68 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | nan | |||
| CHEMBL1457550 | 8415 | 68 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | nan | |||
| DB00809 | 8415 | 68 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | nan | |||
| DB01199 | 8415 | 68 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | nan | |||
| 100 | 8289 | 46 | None | None | None | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | |||
| 2637 | 8289 | 46 | None | None | None | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | |||
| 5452 | 8289 | 46 | None | None | None | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | |||
| CHEMBL479 | 8289 | 46 | None | None | None | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | |||
| DB00679 | 8289 | 46 | None | None | None | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | |||
| 13457935 | 468290 | 0 | None | None | None | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 312 | 1 | 0 | 2 | 3.8 | CN1CCN2CC(c3ccc(Cl)cc3)c3ccccc3C2C1 | 10.1021/jm00374a011 | |||
| CHEMBL6459 | 468290 | 0 | None | None | None | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 312 | 1 | 0 | 2 | 3.8 | CN1CCN2CC(c3ccc(Cl)cc3)c3ccccc3C2C1 | 10.1021/jm00374a011 | |||
| 10688349 | 26407 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 337 | 6 | 0 | 3 | 3.9 | CCN1CC[C@@H](c2ccccc2)[C@@H](C(=O)OCCc2ccccc2)C1 | 10.1021/jm980067l | |||
| 10759393 | 26407 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 337 | 6 | 0 | 3 | 3.9 | CCN1CC[C@@H](c2ccccc2)[C@@H](C(=O)OCCc2ccccc2)C1 | 10.1021/jm980067l | |||
| CHEMBL1184138 | 26407 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 337 | 6 | 0 | 3 | 3.9 | CCN1CC[C@@H](c2ccccc2)[C@@H](C(=O)OCCc2ccccc2)C1 | 10.1021/jm980067l | |||
| CHEMBL2219563 | 26407 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 337 | 6 | 0 | 3 | 3.9 | CCN1CC[C@@H](c2ccccc2)[C@@H](C(=O)OCCc2ccccc2)C1 | 10.1021/jm980067l | |||
| 10610375 | 25699 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 245 | 3 | 0 | 3 | 2.3 | CCN1CCC(c2ccccc2)=C(C(=O)OC)C1 | 10.1021/jm301774u | |||
| CHEMBL1180284 | 25699 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 245 | 3 | 0 | 3 | 2.3 | CCN1CCC(c2ccccc2)=C(C(=O)OC)C1 | 10.1021/jm301774u | |||
| 10610375 | 25699 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 245 | 3 | 0 | 3 | 2.3 | CCN1CCC(c2ccccc2)=C(C(=O)OC)C1 | 10.1021/jm980067l | |||
| CHEMBL1180284 | 25699 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 245 | 3 | 0 | 3 | 2.3 | CCN1CCC(c2ccccc2)=C(C(=O)OC)C1 | 10.1021/jm980067l | |||
| 164612037 | 368668 | 0 | None | -3 | 14 | Human | 9.7 | pKd | = | 9.7 | 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 | -3 | 14 | Human | 9.7 | pKd | = | 9.7 | 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 | -13 | 20 | Human | 9.7 | pKd | = | 9.7 | 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 | -13 | 20 | Human | 9.7 | pKd | = | 9.7 | 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 | -13 | 20 | Human | 9.7 | pKd | = | 9.7 | 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 | -13 | 20 | Human | 9.7 | pKd | = | 9.7 | 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 | -13 | 20 | Human | 9.7 | pKd | = | 9.7 | 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 | -13 | 20 | Human | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| 5487426 | 135875 | 7 | None | -3 | 9 | Human | 10.6 | pKi | = | 10.6 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | C[N+]1(C)[C@H]2C[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm200884j | |||
| 5487427 | 135875 | 7 | None | -3 | 9 | Human | 10.6 | pKi | = | 10.6 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | C[N+]1(C)[C@H]2C[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm200884j | |||
| 5487429 | 135875 | 7 | None | -3 | 9 | Human | 10.6 | pKi | = | 10.6 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | C[N+]1(C)[C@H]2C[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm200884j | |||
| CHEMBL1900528 | 135875 | 7 | None | -3 | 9 | Human | 10.6 | pKi | = | 10.6 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | C[N+]1(C)[C@H]2C[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm200884j | |||
| DB01409 | 135875 | 7 | None | -3 | 9 | Human | 10.6 | pKi | = | 10.6 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | C[N+]1(C)[C@H]2C[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm200884j | |||
| 16116085 | 26120 | 0 | None | 1 | 5 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 346 | 3 | 0 | 2 | 4.8 | C[N+]1(C)CCC[C@H]1[C@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | |||
| CHEMBL1182201 | 26120 | 0 | None | 1 | 5 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 346 | 3 | 0 | 2 | 4.8 | C[N+]1(C)CCC[C@H]1[C@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | |||
| 154417 | 57629 | 58 | None | -1 | 9 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2 | 10.1016/j.bmcl.2013.04.082 | |||
| 174174 | 57629 | 58 | None | -1 | 9 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2 | 10.1016/j.bmcl.2013.04.082 | |||
| 637577 | 57629 | 58 | None | -1 | 9 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2 | 10.1016/j.bmcl.2013.04.082 | |||
| CHEMBL1379091 | 57629 | 58 | None | -1 | 9 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2 | 10.1016/j.bmcl.2013.04.082 | |||
| CHEMBL2449003 | 57629 | 58 | None | -1 | 9 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2 | 10.1016/j.bmcl.2013.04.082 | |||
| CHEMBL254656 | 57629 | 58 | None | -1 | 9 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2 | 10.1016/j.bmcl.2013.04.082 | |||
| 16065403 | 140207 | 28 | None | -1 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 444 | 9 | 2 | 4 | 4.5 | CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(Oc2cccc(O)c2)C1 | 10.1021/jm200884j | |||
| CHEMBL1910856 | 140207 | 28 | None | -1 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 444 | 9 | 2 | 4 | 4.5 | CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(Oc2cccc(O)c2)C1 | 10.1021/jm200884j | |||
| DB12408 | 140207 | 28 | None | -1 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 444 | 9 | 2 | 4 | 4.5 | CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(Oc2cccc(O)c2)C1 | 10.1021/jm200884j | |||
| 16115945 | 26567 | 0 | None | 1 | 5 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 346 | 3 | 0 | 2 | 4.8 | C[N+]1(C)CCC[C@H]1[C@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | |||
| CHEMBL1184886 | 26567 | 0 | None | 1 | 5 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 346 | 3 | 0 | 2 | 4.8 | C[N+]1(C)CCC[C@H]1[C@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | |||
| 1757 | 270505 | 11 | None | -1 | 5 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm061374r | |||
| 23724781 | 270505 | 11 | None | -1 | 5 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm061374r | |||
| 71183 | 270505 | 11 | None | -1 | 5 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm061374r | |||
| CHEMBL1354199 | 270505 | 11 | None | -1 | 5 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm061374r | |||
| CHEMBL376897 | 270505 | 11 | None | -1 | 5 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm061374r | |||
| DB00462 | 270505 | 11 | None | -1 | 5 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm061374r | |||
| DB11315 | 270505 | 11 | None | -1 | 5 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm061374r | |||
| 1757 | 270505 | 11 | None | -1 | 5 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm2013216 | |||
| 23724781 | 270505 | 11 | None | -1 | 5 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm2013216 | |||
| 71183 | 270505 | 11 | None | -1 | 5 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm2013216 | |||
| CHEMBL1354199 | 270505 | 11 | None | -1 | 5 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm2013216 | |||
| CHEMBL376897 | 270505 | 11 | None | -1 | 5 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm2013216 | |||
| DB00462 | 270505 | 11 | None | -1 | 5 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm2013216 | |||
| DB11315 | 270505 | 11 | None | -1 | 5 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm2013216 | |||
| 1757 | 270505 | 11 | None | -1 | 5 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm901048j | |||
| 23724781 | 270505 | 11 | None | -1 | 5 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm901048j | |||
| 71183 | 270505 | 11 | None | -1 | 5 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm901048j | |||
| CHEMBL1354199 | 270505 | 11 | None | -1 | 5 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm901048j | |||
| CHEMBL376897 | 270505 | 11 | None | -1 | 5 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm901048j | |||
| DB00462 | 270505 | 11 | None | -1 | 5 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm901048j | |||
| DB11315 | 270505 | 11 | None | -1 | 5 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm901048j | |||
| 1734 | 239 | 5 | None | 1 | 10 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1016/j.ejmech.2013.01.044 | |||
| 307 | 239 | 5 | None | 1 | 10 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1016/j.ejmech.2013.01.044 | |||
| CHEMBL168067 | 239 | 5 | None | 1 | 10 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1016/j.ejmech.2013.01.044 | |||
| 1757 | 270505 | 11 | None | -1 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | nan | |||
| 23724781 | 270505 | 11 | None | -1 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | nan | |||
| 71183 | 270505 | 11 | None | -1 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | nan | |||
| CHEMBL1354199 | 270505 | 11 | None | -1 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | nan | |||
| CHEMBL376897 | 270505 | 11 | None | -1 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | nan | |||
| DB00462 | 270505 | 11 | None | -1 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | nan | |||
| DB11315 | 270505 | 11 | None | -1 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | nan | |||
| 154417 | 57629 | 58 | None | -1 | 9 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2 | 10.1016/j.bmcl.2013.12.024 | |||
| 174174 | 57629 | 58 | None | -1 | 9 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2 | 10.1016/j.bmcl.2013.12.024 | |||
| 637577 | 57629 | 58 | None | -1 | 9 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2 | 10.1016/j.bmcl.2013.12.024 | |||
| CHEMBL1379091 | 57629 | 58 | None | -1 | 9 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2 | 10.1016/j.bmcl.2013.12.024 | |||
| CHEMBL2449003 | 57629 | 58 | None | -1 | 9 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2 | 10.1016/j.bmcl.2013.12.024 | |||
| CHEMBL254656 | 57629 | 58 | None | -1 | 9 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2 | 10.1016/j.bmcl.2013.12.024 | |||
| 154417 | 57629 | 58 | None | -1 | 9 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2 | 10.1016/j.bmcl.2013.12.024 | |||
| 174174 | 57629 | 58 | None | -1 | 9 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2 | 10.1016/j.bmcl.2013.12.024 | |||
| 637577 | 57629 | 58 | None | -1 | 9 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2 | 10.1016/j.bmcl.2013.12.024 | |||
| CHEMBL1379091 | 57629 | 58 | None | -1 | 9 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2 | 10.1016/j.bmcl.2013.12.024 | |||
| CHEMBL2449003 | 57629 | 58 | None | -1 | 9 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2 | 10.1016/j.bmcl.2013.12.024 | |||
| CHEMBL254656 | 57629 | 58 | None | -1 | 9 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2 | 10.1016/j.bmcl.2013.12.024 | |||
| 1402 | 1082 | 53 | None | -1 | 16 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1016/j.bmc.2011.08.033 | |||
| 154417 | 1082 | 53 | None | -1 | 16 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1016/j.bmc.2011.08.033 | |||
| 174174 | 1082 | 53 | None | -1 | 16 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1016/j.bmc.2011.08.033 | |||
| 260 | 1082 | 53 | None | -1 | 16 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1016/j.bmc.2011.08.033 | |||
| 320 | 1082 | 53 | None | -1 | 16 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1016/j.bmc.2011.08.033 | |||
| CHEMBL1331216 | 1082 | 53 | None | -1 | 16 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1016/j.bmc.2011.08.033 | |||
| CHEMBL517712 | 1082 | 53 | None | -1 | 16 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1016/j.bmc.2011.08.033 | |||
| DB00424 | 1082 | 53 | None | -1 | 16 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1016/j.bmc.2011.08.033 | |||
| DB00572 | 1082 | 53 | None | -1 | 16 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1016/j.bmc.2011.08.033 | |||
| 16116083 | 26566 | 0 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 340 | 3 | 0 | 2 | 4.3 | C[N+]1(C)CCC[C@H]1[C@H]1CSC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm061374r | |||
| CHEMBL1184884 | 26566 | 0 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 340 | 3 | 0 | 2 | 4.3 | C[N+]1(C)CCC[C@H]1[C@H]1CSC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm061374r | |||
| 1734 | 239 | 5 | None | 1 | 10 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1021/jm8007618 | |||
| 307 | 239 | 5 | None | 1 | 10 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1021/jm8007618 | |||
| CHEMBL168067 | 239 | 5 | None | 1 | 10 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1021/jm8007618 | |||
| 1734 | 239 | 5 | None | 1 | 10 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1021/jm401895u | |||
| 307 | 239 | 5 | None | 1 | 10 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1021/jm401895u | |||
| CHEMBL168067 | 239 | 5 | None | 1 | 10 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1021/jm401895u | |||
| 1402 | 1082 | 53 | None | -1 | 16 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm010480k | |||
| 154417 | 1082 | 53 | None | -1 | 16 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm010480k | |||
| 174174 | 1082 | 53 | None | -1 | 16 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm010480k | |||
| 260 | 1082 | 53 | None | -1 | 16 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm010480k | |||
| 320 | 1082 | 53 | None | -1 | 16 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm010480k | |||
| CHEMBL1331216 | 1082 | 53 | None | -1 | 16 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm010480k | |||
| CHEMBL517712 | 1082 | 53 | None | -1 | 16 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm010480k | |||
| DB00424 | 1082 | 53 | None | -1 | 16 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm010480k | |||
| DB00572 | 1082 | 53 | None | -1 | 16 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm010480k | |||
| 1402 | 1082 | 53 | None | -1 | 16 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1016/j.bmcl.2018.12.022 | |||
| 154417 | 1082 | 53 | None | -1 | 16 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1016/j.bmcl.2018.12.022 | |||
| 174174 | 1082 | 53 | None | -1 | 16 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1016/j.bmcl.2018.12.022 | |||
| 260 | 1082 | 53 | None | -1 | 16 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1016/j.bmcl.2018.12.022 | |||
| 320 | 1082 | 53 | None | -1 | 16 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1016/j.bmcl.2018.12.022 | |||
| CHEMBL1331216 | 1082 | 53 | None | -1 | 16 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1016/j.bmcl.2018.12.022 | |||
| CHEMBL517712 | 1082 | 53 | None | -1 | 16 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1016/j.bmcl.2018.12.022 | |||
| DB00424 | 1082 | 53 | None | -1 | 16 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1016/j.bmcl.2018.12.022 | |||
| DB00572 | 1082 | 53 | None | -1 | 16 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1016/j.bmcl.2018.12.022 | |||
| 46188794 | 352234 | 0 | None | -2 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 318 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@H]1COC[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | |||
| CHEMBL4651099 | 352234 | 0 | None | -2 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 318 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@H]1COC[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | |||
| 1402 | 1082 | 53 | None | -1 | 16 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | |||
| 154417 | 1082 | 53 | None | -1 | 16 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | |||
| 174174 | 1082 | 53 | None | -1 | 16 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | |||
| 260 | 1082 | 53 | None | -1 | 16 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | |||
| 320 | 1082 | 53 | None | -1 | 16 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | |||
| CHEMBL1331216 | 1082 | 53 | None | -1 | 16 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | |||
| CHEMBL517712 | 1082 | 53 | None | -1 | 16 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | |||
| DB00424 | 1082 | 53 | None | -1 | 16 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | |||
| DB00572 | 1082 | 53 | None | -1 | 16 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | |||
| 16115947 | 26123 | 0 | None | -1 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 346 | 3 | 0 | 2 | 4.8 | C[N+]1(C)CCC[C@@H]1[C@@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | |||
| CHEMBL1182214 | 26123 | 0 | None | -1 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 346 | 3 | 0 | 2 | 4.8 | C[N+]1(C)CCC[C@@H]1[C@@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | |||
| 1402 | 1082 | 53 | None | -1 | 16 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1038/nchembio.2007.55 | |||
| 154417 | 1082 | 53 | None | -1 | 16 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1038/nchembio.2007.55 | |||
| 174174 | 1082 | 53 | None | -1 | 16 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1038/nchembio.2007.55 | |||
| 260 | 1082 | 53 | None | -1 | 16 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1038/nchembio.2007.55 | |||
| 320 | 1082 | 53 | None | -1 | 16 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1038/nchembio.2007.55 | |||
| CHEMBL1331216 | 1082 | 53 | None | -1 | 16 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1038/nchembio.2007.55 | |||
| CHEMBL517712 | 1082 | 53 | None | -1 | 16 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1038/nchembio.2007.55 | |||
| DB00424 | 1082 | 53 | None | -1 | 16 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1038/nchembio.2007.55 | |||
| DB00572 | 1082 | 53 | None | -1 | 16 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1038/nchembio.2007.55 | |||
| 1402 | 1082 | 53 | None | -1 | 16 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm100697g | |||
| 154417 | 1082 | 53 | None | -1 | 16 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm100697g | |||
| 174174 | 1082 | 53 | None | -1 | 16 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm100697g | |||
| 260 | 1082 | 53 | None | -1 | 16 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm100697g | |||
| 320 | 1082 | 53 | None | -1 | 16 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm100697g | |||
| CHEMBL1331216 | 1082 | 53 | None | -1 | 16 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm100697g | |||
| CHEMBL517712 | 1082 | 53 | None | -1 | 16 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm100697g | |||
| DB00424 | 1082 | 53 | None | -1 | 16 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm100697g | |||
| DB00572 | 1082 | 53 | None | -1 | 16 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm100697g | |||
| 14284 | 239586 | 84 | None | None | None | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 122 | 1 | 0 | 2 | 1.1 | CN(C)c1ccncc1 | 10.1021/acs.jmedchem.4c01193 | |||
| CHEMBL3561645 | 239586 | 84 | None | None | None | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 122 | 1 | 0 | 2 | 1.1 | CN(C)c1ccncc1 | 10.1021/acs.jmedchem.4c01193 | |||
| 325 | 4217 | 10 | None | -7 | 8 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C | 10.1021/jm200884j | |||
| 3746 | 4217 | 10 | None | -7 | 8 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C | 10.1021/jm200884j | |||
| 657308 | 4217 | 10 | None | -7 | 8 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C | 10.1021/jm200884j | |||
| CHEMBL1615433 | 4217 | 10 | None | -7 | 8 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C | 10.1021/jm200884j | |||
| DB00332 | 4217 | 10 | None | -7 | 8 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C | 10.1021/jm200884j | |||
| 44610056 | 252041 | 0 | None | -7 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 704 | 14 | 5 | 9 | 5.5 | O=c1ccc2c([C@@H](O)CNCCc3ccc(CCN4CCC(Cn5cnc([C@](O)(c6ccccc6)C6CCCCC6)n5)CC4)cc3)ccc(O)c2[nH]1 | 10.1016/j.bmcl.2015.10.008 | |||
| CHEMBL3629360 | 252041 | 0 | None | -7 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 704 | 14 | 5 | 9 | 5.5 | O=c1ccc2c([C@@H](O)CNCCc3ccc(CCN4CCC(Cn5cnc([C@](O)(c6ccccc6)C6CCCCC6)n5)CC4)cc3)ccc(O)c2[nH]1 | 10.1016/j.bmcl.2015.10.008 | |||
| 1757 | 270505 | 11 | None | -1 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm500790x | |||
| 23724781 | 270505 | 11 | None | -1 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm500790x | |||
| 71183 | 270505 | 11 | None | -1 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm500790x | |||
| CHEMBL1354199 | 270505 | 11 | None | -1 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm500790x | |||
| CHEMBL376897 | 270505 | 11 | None | -1 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm500790x | |||
| DB00462 | 270505 | 11 | None | -1 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm500790x | |||
| DB11315 | 270505 | 11 | None | -1 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm500790x | |||
| 16115799 | 164850 | 0 | None | -1 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 331 | 3 | 0 | 3 | 4.6 | CN1CCC[C@@H]1[C@@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | |||
| CHEMBL219825 | 164850 | 0 | None | -1 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 331 | 3 | 0 | 3 | 4.6 | CN1CCC[C@@H]1[C@@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | |||
| 5487426 | 135875 | 7 | None | -3 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | C[N+]1(C)[C@H]2C[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@@H]1[C@H]1O[C@@H]21 | 10.6019/CHEMBL5442175 | |||
| 5487427 | 135875 | 7 | None | -3 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | C[N+]1(C)[C@H]2C[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@@H]1[C@H]1O[C@@H]21 | 10.6019/CHEMBL5442175 | |||
| 5487429 | 135875 | 7 | None | -3 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | C[N+]1(C)[C@H]2C[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@@H]1[C@H]1O[C@@H]21 | 10.6019/CHEMBL5442175 | |||
| CHEMBL1900528 | 135875 | 7 | None | -3 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | C[N+]1(C)[C@H]2C[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@@H]1[C@H]1O[C@@H]21 | 10.6019/CHEMBL5442175 | |||
| DB01409 | 135875 | 7 | None | -3 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | C[N+]1(C)[C@H]2C[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@@H]1[C@H]1O[C@@H]21 | 10.6019/CHEMBL5442175 | |||
| 3000322 | 7238 | 26 | None | -6 | 7 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 303 | 4 | 1 | 5 | 0.9 | OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C | 10.1021/jm500790x | |||
| 330 | 7238 | 26 | None | -6 | 7 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 303 | 4 | 1 | 5 | 0.9 | OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C | 10.1021/jm500790x | |||
| CHEMBL569713 | 7238 | 26 | None | -6 | 7 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 303 | 4 | 1 | 5 | 0.9 | OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C | 10.1021/jm500790x | |||
| DB00747 | 7238 | 26 | None | -6 | 7 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 303 | 4 | 1 | 5 | 0.9 | OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C | 10.1021/jm500790x | |||
| 16115951 | 270612 | 0 | None | -1 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 331 | 3 | 0 | 3 | 4.6 | CN1CCC[C@H]1[C@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | |||
| CHEMBL385328 | 270612 | 0 | None | -1 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 331 | 3 | 0 | 3 | 4.6 | CN1CCC[C@H]1[C@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | |||
| 1201549 | 1234 | 18 | None | -3 | 20 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | |||
| 333 | 1234 | 18 | None | -3 | 20 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | |||
| 7601 | 1234 | 18 | None | -3 | 20 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | |||
| CHEMBL1201203 | 1234 | 18 | None | -3 | 20 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | |||
| DB00245 | 1234 | 18 | None | -3 | 20 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | |||
| 1402 | 1082 | 53 | None | -1 | 16 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm500995y | |||
| 154417 | 1082 | 53 | None | -1 | 16 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm500995y | |||
| 174174 | 1082 | 53 | None | -1 | 16 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm500995y | |||
| 260 | 1082 | 53 | None | -1 | 16 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm500995y | |||
| 320 | 1082 | 53 | None | -1 | 16 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm500995y | |||
| CHEMBL1331216 | 1082 | 53 | None | -1 | 16 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm500995y | |||
| CHEMBL517712 | 1082 | 53 | None | -1 | 16 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm500995y | |||
| DB00424 | 1082 | 53 | None | -1 | 16 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm500995y | |||
| DB00572 | 1082 | 53 | None | -1 | 16 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm500995y | |||
| 156014269 | 351168 | 0 | None | -1 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 303 | 4 | 0 | 3 | 3.4 | CN(C)C[C@H]1COC[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | |||
| CHEMBL4635500 | 351168 | 0 | None | -1 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 303 | 4 | 0 | 3 | 3.4 | CN(C)C[C@H]1COC[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | |||
| 44627858 | 28279 | 0 | None | -2 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 354 | 4 | 1 | 2 | 5.0 | C[N+]1(C)CCC[C@@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | |||
| CHEMBL1197382 | 28279 | 0 | None | -2 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 354 | 4 | 1 | 2 | 5.0 | C[N+]1(C)CCC[C@@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | |||
| 10274019 | 469175 | 0 | None | -23 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 425 | 6 | 0 | 3 | 6.0 | COc1ccc([S+]([O-])c2ccc(C(C)C3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00437-6 | |||
| CHEMBL71124 | 469175 | 0 | None | -23 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 425 | 6 | 0 | 3 | 6.0 | COc1ccc([S+]([O-])c2ccc(C(C)C3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00437-6 | |||
| 57326235 | 158824 | 0 | None | -3 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.1 | C[N+](C)(C)C[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | |||
| CHEMBL2079009 | 158824 | 0 | None | -3 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.1 | C[N+](C)(C)C[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | |||
| 3042 | 2911 | 27 | None | -2 | 13 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | |||
| 355 | 2911 | 27 | None | -2 | 13 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | |||
| 868 | 2911 | 27 | None | -2 | 13 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | |||
| CHEMBL1123 | 2911 | 27 | None | -2 | 13 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | |||
| DB00804 | 2911 | 27 | None | -2 | 13 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | |||
| 155541812 | 347163 | 0 | None | 1 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 368 | 5 | 0 | 3 | 4.1 | O=C(OC1CN2CCC1CC2)N(CCc1ccc(F)cc1)c1ccccc1 | 10.1016/j.bmcl.2018.12.022 | |||
| CHEMBL4519301 | 347163 | 0 | None | 1 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 368 | 5 | 0 | 3 | 4.1 | O=C(OC1CN2CCC1CC2)N(CCc1ccc(F)cc1)c1ccccc1 | 10.1016/j.bmcl.2018.12.022 | |||
| 154417 | 57629 | 58 | None | -6 | 9 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2 | 10.1016/j.bmcl.2007.12.051 | |||
| 174174 | 57629 | 58 | None | -6 | 9 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2 | 10.1016/j.bmcl.2007.12.051 | |||
| 637577 | 57629 | 58 | None | -6 | 9 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2 | 10.1016/j.bmcl.2007.12.051 | |||
| CHEMBL1379091 | 57629 | 58 | None | -6 | 9 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2 | 10.1016/j.bmcl.2007.12.051 | |||
| CHEMBL2449003 | 57629 | 58 | None | -6 | 9 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2 | 10.1016/j.bmcl.2007.12.051 | |||
| CHEMBL254656 | 57629 | 58 | None | -6 | 9 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2 | 10.1016/j.bmcl.2007.12.051 | |||
| 57326326 | 158817 | 0 | None | -1 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 2.9 | CN(C)C[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | |||
| CHEMBL2078942 | 158817 | 0 | None | -1 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 2.9 | CN(C)C[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | |||
| 57326326 | 158817 | 0 | None | -1 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 2.9 | CN(C)C[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | |||
| CHEMBL2078942 | 158817 | 0 | None | -1 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 2.9 | CN(C)C[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | |||
| 16115798 | 270498 | 0 | None | -1 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 331 | 3 | 0 | 3 | 4.6 | CN1CCC[C@H]1[C@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | |||
| CHEMBL376255 | 270498 | 0 | None | -1 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 331 | 3 | 0 | 3 | 4.6 | CN1CCC[C@H]1[C@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | |||
| 16115797 | 270503 | 0 | None | -5 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 331 | 3 | 0 | 3 | 4.6 | CN1CCC[C@@H]1[C@@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | |||
| CHEMBL376870 | 270503 | 0 | None | -5 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 331 | 3 | 0 | 3 | 4.6 | CN1CCC[C@@H]1[C@@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | |||
| 135398745 | 5933 | 69 | None | -5 | 45 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1039/C2MD00311B | |||
| 1982 | 5933 | 69 | None | -5 | 45 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1039/C2MD00311B | |||
| 4585 | 5933 | 69 | None | -5 | 45 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1039/C2MD00311B | |||
| 47 | 5933 | 69 | None | -5 | 45 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1039/C2MD00311B | |||
| CHEMBL715 | 5933 | 69 | None | -5 | 45 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1039/C2MD00311B | |||
| DB00334 | 5933 | 69 | None | -5 | 45 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1039/C2MD00311B | |||
| 155562285 | 349821 | 0 | None | -1 | 5 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 380 | 6 | 0 | 4 | 4.0 | COc1ccc(CCN(C(=O)OC2CN3CCC2CC3)c2ccccc2)cc1 | 10.1016/j.bmcl.2018.12.022 | |||
| CHEMBL4585326 | 349821 | 0 | None | -1 | 5 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 380 | 6 | 0 | 4 | 4.0 | COc1ccc(CCN(C(=O)OC2CN3CCC2CC3)c2ccccc2)cc1 | 10.1016/j.bmcl.2018.12.022 | |||
| 162645520 | 366962 | 0 | None | -23 | 5 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 1117 | 25 | 4 | 11 | 9.5 | O=C(CCCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1039/d0md00137f | |||
| CHEMBL4802414 | 366962 | 0 | None | -23 | 5 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 1117 | 25 | 4 | 11 | 9.5 | O=C(CCCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1039/d0md00137f | |||
| 135398737 | 1973 | 61 | None | -8 | 61 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD00311B | |||
| 2818 | 1973 | 61 | None | -8 | 61 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD00311B | |||
| 38 | 1973 | 61 | None | -8 | 61 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD00311B | |||
| 722 | 1973 | 61 | None | -8 | 61 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD00311B | |||
| CHEMBL253391 | 1973 | 61 | None | -8 | 61 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD00311B | |||
| CHEMBL42 | 1973 | 61 | None | -8 | 61 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD00311B | |||
| DB00363 | 1973 | 61 | None | -8 | 61 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD00311B | |||
| 155565074 | 349480 | 0 | None | 2 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 400 | 6 | 0 | 3 | 4.6 | O=C(OCCCc1ccc(F)c(F)c1)N(c1ccccc1)C1CN2CCC1CC2 | 10.1016/j.bmcl.2018.12.022 | |||
| CHEMBL4577453 | 349480 | 0 | None | 2 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 400 | 6 | 0 | 3 | 4.6 | O=C(OCCCc1ccc(F)c(F)c1)N(c1ccccc1)C1CN2CCC1CC2 | 10.1016/j.bmcl.2018.12.022 | |||
| 16094810 | 275273 | 0 | None | -1 | 5 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 467 | 16 | 0 | 12 | 3.1 | COc1nsnc1OCCCOCCCOCCCOc1nsnc1-c1cccnc1 | 10.1021/jm0606995 | |||
| CHEMBL376295 | 275273 | 0 | None | -1 | 5 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 467 | 16 | 0 | 12 | 3.1 | COc1nsnc1OCCCOCCCOCCCOc1nsnc1-c1cccnc1 | 10.1021/jm0606995 | |||
| 16094788 | 279100 | 0 | None | -39 | 5 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 531 | 19 | 0 | 14 | 1.6 | COc1nsnc1OCCOCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | |||
| CHEMBL386983 | 279100 | 0 | None | -39 | 5 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 531 | 19 | 0 | 14 | 1.6 | COc1nsnc1OCCOCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | |||
| 25025581 | 465490 | 0 | None | -1 | 8 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 285 | 4 | 1 | 2 | 3.1 | CCOC[C@H]1[C@@H]2CNC[C@@]21c1ccc(Cl)c(Cl)c1 | 10.1021/jm901818u | |||
| CHEMBL608151 | 465490 | 0 | None | -1 | 8 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 285 | 4 | 1 | 2 | 3.1 | CCOC[C@H]1[C@@H]2CNC[C@@]21c1ccc(Cl)c(Cl)c1 | 10.1021/jm901818u | |||
| 156011112 | 352190 | 0 | None | -5 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 344 | 5 | 0 | 3 | 4.0 | C[N+](C)(C)C[C@@H]1CO[C@H](c2ccc(Sc3ccccc3)cc2)CO1 | 10.1021/acs.jmedchem.9b02100 | |||
| CHEMBL4650842 | 352190 | 0 | None | -5 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 344 | 5 | 0 | 3 | 4.0 | C[N+](C)(C)C[C@@H]1CO[C@H](c2ccc(Sc3ccccc3)cc2)CO1 | 10.1021/acs.jmedchem.9b02100 | |||
| 56593934 | 137990 | 0 | None | -1380 | 8 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 383 | 3 | 2 | 4 | 1.7 | CCN/C(=N\S(=O)(=O)c1cccc(Cl)c1)N1CC2(C=N1)CCNCC2 | 10.1021/jm200466r | |||
| CHEMBL1834350 | 137990 | 0 | None | -1380 | 8 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 383 | 3 | 2 | 4 | 1.7 | CCN/C(=N\S(=O)(=O)c1cccc(Cl)c1)N1CC2(C=N1)CCNCC2 | 10.1021/jm200466r | |||
| 118719920 | 234708 | 0 | None | -3 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 509 | 10 | 0 | 7 | 4.5 | CN1CCC=C(c2nsnc2OCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | |||
| CHEMBL3354066 | 234708 | 0 | None | -3 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 509 | 10 | 0 | 7 | 4.5 | CN1CCC=C(c2nsnc2OCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | |||
| 2166 | 6354 | 42 | None | -1819 | 8 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/j.bmc.2007.12.036 | |||
| 305 | 6354 | 42 | None | -1819 | 8 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/j.bmc.2007.12.036 | |||
| 5910 | 6354 | 42 | None | -1819 | 8 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/j.bmc.2007.12.036 | |||
| 91468 | 6354 | 42 | None | -1819 | 8 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/j.bmc.2007.12.036 | |||
| CHEMBL550 | 6354 | 42 | None | -1819 | 8 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/j.bmc.2007.12.036 | |||
| CHEMBL91776 | 6354 | 42 | None | -1819 | 8 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/j.bmc.2007.12.036 | |||
| DB01085 | 6354 | 42 | None | -1819 | 8 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/j.bmc.2007.12.036 | |||
| 44450624 | 196293 | 0 | None | -15 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 202 | 1 | 0 | 2 | 1.7 | C[C@H]1O[C@@H]([C@@H]2CCC[N+]2(C)C)CS1 | 10.1016/j.bmc.2007.12.036 | |||
| CHEMBL259344 | 196293 | 0 | None | -15 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 202 | 1 | 0 | 2 | 1.7 | C[C@H]1O[C@@H]([C@@H]2CCC[N+]2(C)C)CS1 | 10.1016/j.bmc.2007.12.036 | |||
| 11000399 | 121876 | 0 | None | -2 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 278 | 5 | 0 | 2 | 3.6 | CN(C)CCC1=C(Cc2ccncc2)c2ccccc2C1 | 10.1021/jm020895l | |||
| CHEMBL169680 | 121876 | 0 | None | -2 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 278 | 5 | 0 | 2 | 3.6 | CN(C)CCC1=C(Cc2ccncc2)c2ccccc2C1 | 10.1021/jm020895l | |||
| 57326144 | 158829 | 0 | None | -1 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 236 | 3 | 0 | 2 | 1.8 | C[N+](C)(C)C[C@@H]1COC[C@H](c2ccccc2)O1 | 10.1021/jm2013216 | |||
| CHEMBL2079061 | 158829 | 0 | None | -1 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 236 | 3 | 0 | 2 | 1.8 | C[N+](C)(C)C[C@@H]1COC[C@H](c2ccccc2)O1 | 10.1021/jm2013216 | |||
| 44627741 | 404464 | 0 | None | -2 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 317 | 4 | 0 | 2 | 5.2 | CN1CCCC1c1ccc(C(c2ccccc2)c2ccccc2)o1 | 10.1021/jm901048j | |||
| CHEMBL571123 | 404464 | 0 | None | -2 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 317 | 4 | 0 | 2 | 5.2 | CN1CCCC1c1ccc(C(c2ccccc2)c2ccccc2)o1 | 10.1021/jm901048j | |||
| 10066972 | 199001 | 0 | None | -3 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 358 | 3 | 0 | 4 | 3.7 | O=C(OC1CN2CCC1CC2)C1=C/C(=C\c2ccncc2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | |||
| CHEMBL278074 | 199001 | 0 | None | -3 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 358 | 3 | 0 | 4 | 3.7 | O=C(OC1CN2CCC1CC2)C1=C/C(=C\c2ccncc2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | |||
| 11034265 | 239030 | 0 | None | -9 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 310 | 5 | 0 | 2 | 4.3 | CC(C1=C(CCN(C)C)Cc2ccc(F)cc21)c1ccccn1 | 10.1021/jm020895l | |||
| CHEMBL353290 | 239030 | 0 | None | -9 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 310 | 5 | 0 | 2 | 4.3 | CC(C1=C(CCN(C)C)Cc2ccc(F)cc21)c1ccccn1 | 10.1021/jm020895l | |||
| 10963509 | 42356 | 0 | None | -12 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 687 | 17 | 0 | 6 | 8.6 | COc1ccccc1CN1CCC(C2CCN(CCCCCCCCN3CCC(C4CCN(Cc5ccccc5OC)CC4)CC3)CC2)CC1 | 10.1021/jm0155594 | |||
| CHEMBL127273 | 42356 | 0 | None | -12 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 687 | 17 | 0 | 6 | 8.6 | COc1ccccc1CN1CCC(C2CCN(CCCCCCCCN3CCC(C4CCN(Cc5ccccc5OC)CC4)CC3)CC2)CC1 | 10.1021/jm0155594 | |||
| 13990 | 393603 | 2 | None | 1 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 296 | 3 | 0 | 3 | 3.7 | CN1CCC(OC(=O)N(c2ccccc2)c2ccccc2)C1 | 10.1016/j.ejmech.2023.115891 | |||
| CHEMBL5639857 | 393603 | 2 | None | 1 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 296 | 3 | 0 | 3 | 3.7 | CN1CCC(OC(=O)N(c2ccccc2)c2ccccc2)C1 | 10.1016/j.ejmech.2023.115891 | |||
| 155549890 | 347982 | 0 | None | -1 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 368 | 6 | 0 | 4 | 4.0 | COc1ccc(CCN(C(=O)OC2CCCN(C)C2)c2ccccc2)cc1 | 10.1016/j.bmcl.2018.12.022 | |||
| CHEMBL4540291 | 347982 | 0 | None | -1 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 368 | 6 | 0 | 4 | 4.0 | COc1ccc(CCN(C(=O)OC2CCCN(C)C2)c2ccccc2)cc1 | 10.1016/j.bmcl.2018.12.022 | |||
| 57326233 | 158825 | 0 | None | -6 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.1 | C[N+](C)(C)C[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | |||
| CHEMBL2079010 | 158825 | 0 | None | -6 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.1 | C[N+](C)(C)C[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | |||
| 44450622 | 196191 | 0 | None | -7 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 202 | 1 | 0 | 2 | 1.7 | C[C@H]1O[C@@H]([C@H]2CCC[N+]2(C)C)CS1 | 10.1016/j.bmc.2007.12.036 | |||
| CHEMBL258907 | 196191 | 0 | None | -7 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 202 | 1 | 0 | 2 | 1.7 | C[C@H]1O[C@@H]([C@H]2CCC[N+]2(C)C)CS1 | 10.1016/j.bmc.2007.12.036 | |||
| 145961152 | 317131 | 0 | None | -6 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 393 | 4 | 0 | 5 | 3.0 | O=C(O[C@@H]1CN2CCC1CC2)[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | |||
| 145962050 | 317131 | 0 | None | -6 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 393 | 4 | 0 | 5 | 3.0 | O=C(O[C@@H]1CN2CCC1CC2)[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | |||
| CHEMBL4129382 | 317131 | 0 | None | -6 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 393 | 4 | 0 | 5 | 3.0 | O=C(O[C@@H]1CN2CCC1CC2)[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | |||
| CHEMBL4130037 | 317131 | 0 | None | -6 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 393 | 4 | 0 | 5 | 3.0 | O=C(O[C@@H]1CN2CCC1CC2)[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | |||
| 176 | 823 | 54 | None | -2 | 31 | Human | 6.0 | pKi | = | 6.0 | 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 | -2 | 31 | Human | 6.0 | pKi | = | 6.0 | 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 | -2 | 31 | Human | 6.0 | pKi | = | 6.0 | 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 | -2 | 31 | Human | 6.0 | pKi | = | 6.0 | 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 | -2 | 31 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
| 155535606 | 336579 | 0 | None | -301 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 1077 | 20 | 5 | 12 | 6.0 | CCC(=O)NCc1cc(C(=O)NCCN2CCC(N3CCC(n4c(=O)[nH]c5ccccc54)CC3)CC2)cc(C(=O)NCCN2CCN(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)CC2)c1 | 10.1021/acs.jmedchem.8b01967 | |||
| CHEMBL4471882 | 336579 | 0 | None | -301 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 1077 | 20 | 5 | 12 | 6.0 | CCC(=O)NCc1cc(C(=O)NCCN2CCC(N3CCC(n4c(=O)[nH]c5ccccc54)CC3)CC2)cc(C(=O)NCCN2CCN(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)CC2)c1 | 10.1021/acs.jmedchem.8b01967 | |||
| 145961981 | 317072 | 0 | None | -5 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 407 | 4 | 0 | 5 | 3.4 | C[C@]1(C(=O)O[C@@H]2CN3CCC2CC3)COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | |||
| CHEMBL4128497 | 317072 | 0 | None | -5 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 407 | 4 | 0 | 5 | 3.4 | C[C@]1(C(=O)O[C@@H]2CN3CCC2CC3)COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | |||
| 171351069 | 386047 | 0 | None | -5 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 1038 | 20 | 1 | 13 | 9.8 | CN(C)c1ccc2c(-c3ccc(-c4cn(CCCCCn5cc(CCCCCCN6CCC(OC(=O)Nc7ccc(F)cc7-c7ccc(F)c(Cl)c7)CC6)nn5)nn4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1 | 10.1021/acs.jmedchem.2c01376 | |||
| CHEMBL5267836 | 386047 | 0 | None | -5 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 1038 | 20 | 1 | 13 | 9.8 | CN(C)c1ccc2c(-c3ccc(-c4cn(CCCCCn5cc(CCCCCCN6CCC(OC(=O)Nc7ccc(F)cc7-c7ccc(F)c(Cl)c7)CC6)nn5)nn4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1 | 10.1021/acs.jmedchem.2c01376 | |||
| 44627746 | 28283 | 0 | None | -5 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 354 | 4 | 1 | 2 | 5.0 | C[N+]1(C)CCCC1c1ccc(C(O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | |||
| CHEMBL1197392 | 28283 | 0 | None | -5 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 354 | 4 | 1 | 2 | 5.0 | C[N+]1(C)CCCC1c1ccc(C(O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | |||
| 71575548 | 177085 | 0 | None | 4 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 399 | 6 | 0 | 5 | 3.0 | CN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(S(C)(=O)=O)cc2)C1 | 10.1021/jm301774u | |||
| CHEMBL2312368 | 177085 | 0 | None | 4 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 399 | 6 | 0 | 5 | 3.0 | CN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(S(C)(=O)=O)cc2)C1 | 10.1021/jm301774u | |||
| 44385809 | 124224 | 0 | None | -331 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 636 | 15 | 3 | 4 | 5.8 | O=C(CCCNC(=O)CNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCC1CCCN(CC2CCCCC2)C1 | 10.1021/jm010480k | |||
| CHEMBL177040 | 124224 | 0 | None | -331 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 636 | 15 | 3 | 4 | 5.8 | O=C(CCCNC(=O)CNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCC1CCCN(CC2CCCCC2)C1 | 10.1021/jm010480k | |||
| 155550632 | 350494 | 0 | None | -1778 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 845 | 22 | 8 | 10 | 1.9 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
| CHEMBL4597071 | 350494 | 0 | None | -1778 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 845 | 22 | 8 | 10 | 1.9 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
| 145960827 | 316924 | 0 | None | -2 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 379 | 5 | 0 | 4 | 3.5 | c1ccc(C2(c3ccccc3)COC[C@@H](CO[C@@H]3CN4CCC3CC4)O2)cc1 | 10.1016/j.ejmech.2017.06.004 | |||
| CHEMBL4126290 | 316924 | 0 | None | -2 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 379 | 5 | 0 | 4 | 3.5 | c1ccc(C2(c3ccccc3)COC[C@@H](CO[C@@H]3CN4CCC3CC4)O2)cc1 | 10.1016/j.ejmech.2017.06.004 | |||
| 11808947 | 122232 | 0 | None | -21 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 306 | 5 | 0 | 2 | 4.5 | CC(C1=C(CN(C)C(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | |||
| CHEMBL171216 | 122232 | 0 | None | -21 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 306 | 5 | 0 | 2 | 4.5 | CC(C1=C(CN(C)C(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | |||
| 164610746 | 371671 | 0 | None | -2344 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 888 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | |||
| 164621305 | 371671 | 0 | None | -2344 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 888 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | |||
| 164623076 | 371671 | 0 | None | -2344 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 888 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | |||
| CHEMBL5028038 | 371671 | 0 | None | -2344 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 888 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | |||
| CHEMBL5028642 | 371671 | 0 | None | -2344 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 888 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | |||
| CHEMBL5028732 | 371671 | 0 | None | -2344 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 888 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | |||
| 156015809 | 352233 | 0 | None | -5 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 344 | 5 | 0 | 3 | 4.0 | C[N+](C)(C)C[C@@H]1COC[C@@H](c2ccc(Sc3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | |||
| CHEMBL4651096 | 352233 | 0 | None | -5 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 344 | 5 | 0 | 3 | 4.0 | C[N+](C)(C)C[C@@H]1COC[C@@H](c2ccc(Sc3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | |||
| 145961152 | 317131 | 0 | None | -6 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 393 | 4 | 0 | 5 | 3.0 | O=C(O[C@@H]1CN2CCC1CC2)[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | |||
| 145962050 | 317131 | 0 | None | -6 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 393 | 4 | 0 | 5 | 3.0 | O=C(O[C@@H]1CN2CCC1CC2)[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | |||
| CHEMBL4129382 | 317131 | 0 | None | -6 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 393 | 4 | 0 | 5 | 3.0 | O=C(O[C@@H]1CN2CCC1CC2)[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | |||
| CHEMBL4130037 | 317131 | 0 | None | -6 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 393 | 4 | 0 | 5 | 3.0 | O=C(O[C@@H]1CN2CCC1CC2)[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | |||
| 10874119 | 19246 | 0 | None | -15 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 454 | 4 | 1 | 5 | 5.3 | COc1ccc2c(c1)CCN1Cc3c(ccc4[nH]c(C)c(C(=O)OCc5ccccc5)c34)OC21 | 10.1021/jm011116o | |||
| CHEMBL104574 | 19246 | 0 | None | -15 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 454 | 4 | 1 | 5 | 5.3 | COc1ccc2c(c1)CCN1Cc3c(ccc4[nH]c(C)c(C(=O)OCc5ccccc5)c34)OC21 | 10.1021/jm011116o | |||
| 11112362 | 19298 | 0 | None | 1 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 410 | 3 | 1 | 3 | 5.5 | COc1ccc2c(c1)CCN1Cc3c(ccc4[nH]c(C)c(Cc5ccccc5)c34)OC21 | 10.1021/jm011116o | |||
| CHEMBL104804 | 19298 | 0 | None | 1 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 410 | 3 | 1 | 3 | 5.5 | COc1ccc2c(c1)CCN1Cc3c(ccc4[nH]c(C)c(Cc5ccccc5)c34)OC21 | 10.1021/jm011116o | |||
| 10160073 | 220705 | 0 | None | -11220 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 434 | 6 | 1 | 5 | 5.1 | CCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm301774u | |||
| CHEMBL326450 | 220705 | 0 | None | -11220 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 434 | 6 | 1 | 5 | 5.1 | CCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm301774u | |||
| 11001809 | 121864 | 0 | None | -3 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 322 | 6 | 0 | 4 | 2.7 | CN(C)CCOC(=O)C1=C(Cc2cccnc2)c2ccccc2C1 | 10.1021/jm020895l | |||
| CHEMBL169594 | 121864 | 0 | None | -3 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 322 | 6 | 0 | 4 | 2.7 | CN(C)CCOC(=O)C1=C(Cc2cccnc2)c2ccccc2C1 | 10.1021/jm020895l | |||
| 10160073 | 220705 | 0 | None | -11220 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 434 | 6 | 1 | 5 | 5.1 | CCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | |||
| CHEMBL326450 | 220705 | 0 | None | -11220 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 434 | 6 | 1 | 5 | 5.1 | CCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | |||
| 71574365 | 177072 | 0 | None | -5 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 363 | 5 | 0 | 4 | 3.5 | CN1CCC(C(=O)OCCc2ccc3c(c2)CCO3)=C(c2ccccc2)C1 | 10.1021/jm301774u | |||
| CHEMBL2312344 | 177072 | 0 | None | -5 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 363 | 5 | 0 | 4 | 3.5 | CN1CCC(C(=O)OCCc2ccc3c(c2)CCO3)=C(c2ccccc2)C1 | 10.1021/jm301774u | |||
| 1634 | 163834 | 36 | None | -11 | 21 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | |||
| 4011 | 163834 | 36 | None | -11 | 21 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | |||
| CHEMBL21731 | 163834 | 36 | None | -11 | 21 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | |||
| DB00934 | 163834 | 36 | None | -11 | 21 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | |||
| 10660 | 2953 | 69 | None | -3 | 13 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | |||
| 1224 | 2953 | 69 | None | -3 | 13 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | |||
| 3100 | 2953 | 69 | None | -3 | 13 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | |||
| 441281 | 2953 | 69 | None | -3 | 13 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | |||
| 8980 | 2953 | 69 | None | -3 | 13 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | |||
| 916 | 2953 | 69 | None | -3 | 13 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | |||
| CHEMBL1200406 | 2953 | 69 | None | -3 | 13 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | |||
| CHEMBL657 | 2953 | 69 | None | -3 | 13 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | |||
| DB00985 | 2953 | 69 | None | -3 | 13 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | |||
| DB01075 | 2953 | 69 | None | -3 | 13 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | |||
| DB13636 | 2953 | 69 | None | -3 | 13 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | |||
| 71575450 | 177082 | 0 | None | 4 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 379 | 8 | 0 | 4 | 4.4 | COc1ccc(CCCCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1 | 10.1021/jm301774u | |||
| CHEMBL2312364 | 177082 | 0 | None | 4 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 379 | 8 | 0 | 4 | 4.4 | COc1ccc(CCCCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1 | 10.1021/jm301774u | |||
| 36381 | 27204 | 1 | None | -3 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 265 | 2 | 1 | 2 | 1.9 | OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccccc1 | 10.1016/j.bmcl.2012.08.046 | |||
| CHEMBL1189234 | 27204 | 1 | None | -3 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 265 | 2 | 1 | 2 | 1.9 | OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccccc1 | 10.1016/j.bmcl.2012.08.046 | |||
| 36381 | 27204 | 1 | None | -3 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 265 | 2 | 1 | 2 | 1.9 | OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccccc1 | 10.1016/j.bmc.2013.07.045 | |||
| CHEMBL1189234 | 27204 | 1 | None | -3 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 265 | 2 | 1 | 2 | 1.9 | OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccccc1 | 10.1016/j.bmc.2013.07.045 | |||
| 10066369 | 238928 | 0 | None | -60 | 6 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 348 | 7 | 0 | 2 | 5.7 | CC(C1=C(CCN(C(C)C)C(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | |||
| CHEMBL352375 | 238928 | 0 | None | -60 | 6 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 348 | 7 | 0 | 2 | 5.7 | CC(C1=C(CCN(C(C)C)C(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | |||
| 3013846 | 371456 | 2 | None | -9 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 757 | 23 | 5 | 11 | 5.9 | CCCCCCCCCCCC(OC(=O)C(CCCCN(O)C(C)=O)NC(=O)c1coc(-c2ccccc2O)n1)C(C)C(=O)NC1CCCCN(O)C1=O | 10.1021/np050091j | |||
| CHEMBL499519 | 371456 | 2 | None | -9 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 757 | 23 | 5 | 11 | 5.9 | CCCCCCCCCCCC(OC(=O)C(CCCCN(O)C(C)=O)NC(=O)c1coc(-c2ccccc2O)n1)C(C)C(=O)NC1CCCCN(O)C1=O | 10.1021/np050091j | |||
| 9937474 | 335021 | 0 | None | -199 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 551 | 6 | 1 | 5 | 5.3 | Nc1ccccc1C(=O)N1CCC(N2CCC(Cc3ccc(S(=O)(=O)c4cccc(Cl)c4)cc3)CC2)CC1 | 10.1021/acsmedchemlett.4c00592 | |||
| CHEMBL4448933 | 335021 | 0 | None | -199 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 551 | 6 | 1 | 5 | 5.3 | Nc1ccccc1C(=O)N1CCC(N2CCC(Cc3ccc(S(=O)(=O)c4cccc(Cl)c4)cc3)CC2)CC1 | 10.1021/acsmedchemlett.4c00592 | |||
| 171343805 | 386073 | 0 | None | -4 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 1038 | 20 | 1 | 13 | 9.7 | CN(C)c1ccc2c(-c3ccc(-c4cn(CCCCCn5cc(CCCCCN6CCC(COC(=O)Nc7ccc(F)cc7-c7ccc(F)c(Cl)c7)CC6)nn5)nn4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1 | 10.1021/acs.jmedchem.2c01376 | |||
| CHEMBL5268503 | 386073 | 0 | None | -4 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 1038 | 20 | 1 | 13 | 9.7 | CN(C)c1ccc2c(-c3ccc(-c4cn(CCCCCn5cc(CCCCCN6CCC(COC(=O)Nc7ccc(F)cc7-c7ccc(F)c(Cl)c7)CC6)nn5)nn4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1 | 10.1021/acs.jmedchem.2c01376 | |||
| 44627860 | 28276 | 0 | None | -1 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 354 | 4 | 1 | 2 | 5.0 | C[N+]1(C)CCC[C@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | |||
| CHEMBL1197371 | 28276 | 0 | None | -1 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 354 | 4 | 1 | 2 | 5.0 | C[N+]1(C)CCC[C@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | |||
| 44568347 | 374712 | 0 | None | -5 | 15 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 356 | 6 | 0 | 4 | 5.2 | CCN(CC)CCCOC(=O)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | |||
| CHEMBL519609 | 374712 | 0 | None | -5 | 15 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 356 | 6 | 0 | 4 | 5.2 | CCN(CC)CCCOC(=O)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | |||
| 71575219 | 177094 | 0 | None | -1 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 365 | 5 | 0 | 5 | 3.6 | CCN1CCC(c2ccccc2)=C(C(=O)OCc2ccc3c(c2)OCO3)C1 | 10.1021/jm301774u | |||
| CHEMBL2312378 | 177094 | 0 | None | -1 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 365 | 5 | 0 | 5 | 3.6 | CCN1CCC(c2ccccc2)=C(C(=O)OCc2ccc3c(c2)OCO3)C1 | 10.1021/jm301774u | |||
| 155557119 | 350476 | 0 | None | -6 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 868 | 17 | 7 | 8 | 5.1 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
| CHEMBL4596899 | 350476 | 0 | None | -6 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 868 | 17 | 7 | 8 | 5.1 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
| 10104167 | 4211 | 5 | None | -13 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 197 | 2 | 0 | 3 | 0.4 | C[N+](CC#CCOC1=NOCC1)(C)C | 10.1021/jm500790x | |||
| 6937 | 4211 | 5 | None | -13 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 197 | 2 | 0 | 3 | 0.4 | C[N+](CC#CCOC1=NOCC1)(C)C | 10.1021/jm500790x | |||
| CHEMBL3121473 | 4211 | 5 | None | -13 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 197 | 2 | 0 | 3 | 0.4 | C[N+](CC#CCOC1=NOCC1)(C)C | 10.1021/jm500790x | |||
| 155565286 | 350235 | 0 | None | -5 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 760 | 18 | 6 | 8 | 2.7 | CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
| CHEMBL4595003 | 350235 | 0 | None | -5 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 760 | 18 | 6 | 8 | 2.7 | CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
| 9998508 | 161569 | 0 | None | -2 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 358 | 3 | 0 | 4 | 3.7 | O=C(OC1CN2CCC1CC2)C1=C/C(=C\c2cccnc2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | |||
| CHEMBL21321 | 161569 | 0 | None | -2 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 358 | 3 | 0 | 4 | 3.7 | O=C(OC1CN2CCC1CC2)C1=C/C(=C\c2cccnc2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | |||
| 71450251 | 164407 | 33 | None | -1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 399 | 4 | 0 | 4 | 5.1 | Cc1ccc(C)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc32)c1 | 10.6019/CHEMBL5442175 | |||
| CHEMBL2181226 | 164407 | 33 | None | -1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 399 | 4 | 0 | 4 | 5.1 | Cc1ccc(C)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc32)c1 | 10.6019/CHEMBL5442175 | |||
| 9909908 | 27773 | 0 | None | -7 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 381 | 14 | 1 | 6 | 4.5 | CN1CCC=C(c2nsnc2OCCCCCCCCCCCCO)C1 | 10.1021/jm0301235 | |||
| CHEMBL1193635 | 27773 | 0 | None | -7 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 381 | 14 | 1 | 6 | 4.5 | CN1CCC=C(c2nsnc2OCCCCCCCCCCCCO)C1 | 10.1021/jm0301235 | |||
| 155557119 | 350476 | 0 | None | -6 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 868 | 17 | 7 | 8 | 5.1 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | |||
| CHEMBL4596899 | 350476 | 0 | None | -6 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 868 | 17 | 7 | 8 | 5.1 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | |||
| 162649253 | 366979 | 0 | None | -125 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 807 | 12 | 1 | 6 | 7.9 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1039/d0md00137f | |||
| CHEMBL4802611 | 366979 | 0 | None | -125 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 807 | 12 | 1 | 6 | 7.9 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1039/d0md00137f | |||
| 71575024 | 177099 | 0 | None | 1 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 365 | 7 | 0 | 4 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccccc2OC)C1 | 10.1021/jm301774u | |||
| CHEMBL2312386 | 177099 | 0 | None | 1 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 365 | 7 | 0 | 4 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccccc2OC)C1 | 10.1021/jm301774u | |||
| 129989 | 933 | 31 | None | -141 | 11 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/acs.jmedchem.8b01967 | |||
| 8584 | 933 | 31 | None | -141 | 11 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/acs.jmedchem.8b01967 | |||
| CHEMBL43383 | 933 | 31 | None | -141 | 11 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/acs.jmedchem.8b01967 | |||
| 2200 | 6369 | 35 | None | -6 | 11 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm301774u | |||
| 328 | 6369 | 35 | None | -6 | 11 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm301774u | |||
| 4848 | 6369 | 35 | None | -6 | 11 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm301774u | |||
| CHEMBL9967 | 6369 | 35 | None | -6 | 11 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm301774u | |||
| DB00670 | 6369 | 35 | None | -6 | 11 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm301774u | |||
| 1548953 | 473104 | 29 | None | -5 | 17 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 | nan | |||
| CHEMBL954 | 473104 | 29 | None | -5 | 17 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 | nan | |||
| DB06735 | 473104 | 29 | None | -5 | 17 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 | nan | |||
| 3055 | 2955 | 32 | None | -3 | 9 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | 10.1016/j.bmcl.2008.03.061 | |||
| 313 | 2955 | 32 | None | -3 | 9 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | 10.1016/j.bmcl.2008.03.061 | |||
| 7163 | 2955 | 32 | None | -3 | 9 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | 10.1016/j.bmcl.2008.03.061 | |||
| CHEMBL936 | 2955 | 32 | None | -3 | 9 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | 10.1016/j.bmcl.2008.03.061 | |||
| DB01231 | 2955 | 32 | None | -3 | 9 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | 10.1016/j.bmcl.2008.03.061 | |||
| 145961126 | 317093 | 0 | None | -1 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 407 | 4 | 0 | 5 | 3.4 | C[C@@]1(C(=O)O[C@@H]2CN3CCC2CC3)COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | |||
| CHEMBL4128764 | 317093 | 0 | None | -1 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 407 | 4 | 0 | 5 | 3.4 | C[C@@]1(C(=O)O[C@@H]2CN3CCC2CC3)COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | |||
| 155511167 | 334129 | 0 | None | -2 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 432 | 6 | 0 | 3 | 5.7 | O=C(OCCCc1ccc(Cl)c(Cl)c1)N(c1ccccc1)C1CN2CCC1CC2 | 10.1016/j.bmcl.2018.12.022 | |||
| CHEMBL4435641 | 334129 | 0 | None | -2 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 432 | 6 | 0 | 3 | 5.7 | O=C(OCCCc1ccc(Cl)c(Cl)c1)N(c1ccccc1)C1CN2CCC1CC2 | 10.1016/j.bmcl.2018.12.022 | |||
| 155551306 | 348030 | 0 | None | -1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 4.8 | Cc1ccc(CCCOC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1F | 10.1016/j.bmcl.2018.12.022 | |||
| CHEMBL4541518 | 348030 | 0 | None | -1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 4.8 | Cc1ccc(CCCOC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1F | 10.1016/j.bmcl.2018.12.022 | |||
| 175 | 7426 | 39 | None | -281 | 24 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 383 | 6 | 1 | 4 | 3.0 | Fc1ccc(cc1)OCCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.6019/CHEMBL5442175 | |||
| 68186 | 7426 | 39 | None | -281 | 24 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 383 | 6 | 1 | 4 | 3.0 | Fc1ccc(cc1)OCCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.6019/CHEMBL5442175 | |||
| CHEMBL79834 | 7426 | 39 | None | -281 | 24 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 383 | 6 | 1 | 4 | 3.0 | Fc1ccc(cc1)OCCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.6019/CHEMBL5442175 | |||
| 6603753 | 218292 | 0 | None | -6 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 176 | 2 | 0 | 2 | 1.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)CS1 | 10.1016/j.bmc.2007.12.036 | |||
| CHEMBL320820 | 218292 | 0 | None | -6 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 176 | 2 | 0 | 2 | 1.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)CS1 | 10.1016/j.bmc.2007.12.036 | |||
| 156015807 | 352214 | 0 | None | -257 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 1185 | 25 | 3 | 12 | 9.5 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | |||
| CHEMBL4650973 | 352214 | 0 | None | -257 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 1185 | 25 | 3 | 12 | 9.5 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | |||
| 155525065 | 350519 | 0 | None | -58 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 590 | 11 | 4 | 6 | 2.9 | CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
| CHEMBL4597243 | 350519 | 0 | None | -58 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 590 | 11 | 4 | 6 | 2.9 | CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
| 44448575 | 26191 | 0 | None | -1 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 324 | 6 | 1 | 3 | 3.0 | CN1CCN(CCCC(O)(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2008.03.061 | |||
| CHEMBL1182650 | 26191 | 0 | None | -1 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 324 | 6 | 1 | 3 | 3.0 | CN1CCN(CCCC(O)(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2008.03.061 | |||
| 155551421 | 348035 | 0 | None | 1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 424 | 7 | 0 | 5 | 4.5 | COc1ccc(CCN(C(=O)OC2C[C@H]3CC[C@H](C2)N3C)c2ccccc2)cc1OC | 10.1016/j.bmcl.2018.12.022 | |||
| CHEMBL4541656 | 348035 | 0 | None | 1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 424 | 7 | 0 | 5 | 4.5 | COc1ccc(CCN(C(=O)OC2C[C@H]3CC[C@H](C2)N3C)c2ccccc2)cc1OC | 10.1016/j.bmcl.2018.12.022 | |||
| 177372525 | 393573 | 0 | None | 3 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 293 | 3 | 0 | 4 | 3.1 | CN1CCC(Oc2nc3ccccc3n2-c2ccccc2)C1 | 10.1016/j.ejmech.2023.115891 | |||
| CHEMBL5639365 | 393573 | 0 | None | 3 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 293 | 3 | 0 | 4 | 3.1 | CN1CCC(Oc2nc3ccccc3n2-c2ccccc2)C1 | 10.1016/j.ejmech.2023.115891 | |||
| 2028 | 6066 | 59 | None | -5 | 10 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1021/jm2013216 | |||
| 359 | 6066 | 59 | None | -5 | 10 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1021/jm2013216 | |||
| 4634 | 6066 | 59 | None | -5 | 10 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1021/jm2013216 | |||
| CHEMBL1231 | 6066 | 59 | None | -5 | 10 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1021/jm2013216 | |||
| DB01062 | 6066 | 59 | None | -5 | 10 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1021/jm2013216 | |||
| 44593626 | 371077 | 0 | None | -2 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | |||
| CHEMBL496306 | 371077 | 0 | None | -2 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | |||
| 71575224 | 177097 | 0 | None | 2 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 336 | 6 | 0 | 4 | 3.3 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccncc2)C1 | 10.1021/jm301774u | |||
| CHEMBL2312383 | 177097 | 0 | None | 2 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 336 | 6 | 0 | 4 | 3.3 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccncc2)C1 | 10.1021/jm301774u | |||
| 155521894 | 350393 | 0 | None | -1778 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 852 | 20 | 6 | 10 | 3.6 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
| CHEMBL4596183 | 350393 | 0 | None | -1778 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 852 | 20 | 6 | 10 | 3.6 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
| 156015153 | 352222 | 0 | None | -104 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 1105 | 24 | 2 | 10 | 10.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | |||
| CHEMBL4651018 | 352222 | 0 | None | -104 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 1105 | 24 | 2 | 10 | 10.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | |||
| 44576913 | 385831 | 0 | None | -6 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 336 | 4 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | |||
| CHEMBL524186 | 385831 | 0 | None | -6 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 336 | 4 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | |||
| 44448606 | 26192 | 0 | None | -2 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 310 | 6 | 2 | 3 | 2.6 | OC(CCCN1CCNCC1)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2008.03.061 | |||
| CHEMBL1182652 | 26192 | 0 | None | -2 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 310 | 6 | 2 | 3 | 2.6 | OC(CCCN1CCNCC1)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2008.03.061 | |||
| 11154555 | 1656 | 51 | None | -5128 | 24 | Human | 5.8 | pKi | = | 5.8 | 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 | -5128 | 24 | Human | 5.8 | pKi | = | 5.8 | 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 | -5128 | 24 | Human | 5.8 | pKi | = | 5.8 | 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 | -5128 | 24 | Human | 5.8 | pKi | = | 5.8 | 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 | -5128 | 24 | Human | 5.8 | pKi | = | 5.8 | 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 | |||
| 11120347 | 239363 | 0 | None | -2 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 306 | 5 | 0 | 2 | 4.5 | Cc1ccc2c(c1)CC(CCN(C)C)=C2C(C)c1ccccn1 | 10.1021/jm020895l | |||
| CHEMBL354841 | 239363 | 0 | None | -2 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 306 | 5 | 0 | 2 | 4.5 | Cc1ccc2c(c1)CC(CCN(C)C)=C2C(C)c1ccccn1 | 10.1021/jm020895l | |||
| 132712 | 336328 | 18 | None | -44 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 567 | 10 | 1 | 5 | 6.1 | CCCC(C)(C)C(=O)N(CC)CCCC1CCN(CC(=O)N2c3ccc(Cl)cc3C(=O)Nc3cccnc32)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
| CHEMBL4468100 | 336328 | 18 | None | -44 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 567 | 10 | 1 | 5 | 6.1 | CCCC(C)(C)C(=O)N(CC)CCCC1CCN(CC(=O)N2c3ccc(Cl)cc3C(=O)Nc3cccnc32)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
| 156013536 | 352226 | 0 | None | -2 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 388 | 5 | 0 | 2 | 4.8 | C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccccc2)C(c2ccccc2)(c2ccccc2)O1 | 10.1021/acs.jmedchem.9b02100 | |||
| CHEMBL4651058 | 352226 | 0 | None | -2 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 388 | 5 | 0 | 2 | 4.8 | C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccccc2)C(c2ccccc2)(c2ccccc2)O1 | 10.1021/acs.jmedchem.9b02100 | |||
| 118719925 | 234714 | 0 | None | -194 | 8 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 330 | 7 | 1 | 3 | 2.8 | O=C1CCc2ccccc2N1CCCN1CCC(CCCO)CC1 | 10.1021/jm501173q | |||
| CHEMBL3354072 | 234714 | 0 | None | -194 | 8 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 330 | 7 | 1 | 3 | 2.8 | O=C1CCc2ccccc2N1CCCN1CCC(CCCO)CC1 | 10.1021/jm501173q | |||
| 10225881 | 217254 | 0 | None | -489 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 450 | 6 | 1 | 5 | 5.9 | CCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(SC)ccc2C1O3 | 10.1021/jm011116o | |||
| CHEMBL318995 | 217254 | 0 | None | -489 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 450 | 6 | 1 | 5 | 5.9 | CCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(SC)ccc2C1O3 | 10.1021/jm011116o | |||
| 3652 | 8876 | 57 | None | -8 | 18 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmc.2007.12.036 | |||
| 57 | 8876 | 57 | None | -8 | 18 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmc.2007.12.036 | |||
| 60809 | 8876 | 57 | None | -8 | 18 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmc.2007.12.036 | |||
| CHEMBL21536 | 8876 | 57 | None | -8 | 18 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmc.2007.12.036 | |||
| DB15357 | 8876 | 57 | None | -8 | 18 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmc.2007.12.036 | |||
| 44627852 | 28280 | 0 | None | -2 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 338 | 4 | 0 | 1 | 5.9 | C[N+]1(C)CCCC1c1ccc(C(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | |||
| CHEMBL1197387 | 28280 | 0 | None | -2 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 338 | 4 | 0 | 1 | 5.9 | C[N+]1(C)CCCC1c1ccc(C(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | |||
| 10919522 | 160413 | 0 | None | -602 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 688 | 11 | 1 | 4 | 6.8 | O=C(NC[C@H]1CCCN(CC2CCCCC2)C1)[C@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1 | 10.1021/jm010480k | |||
| CHEMBL2112957 | 160413 | 0 | None | -602 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 688 | 11 | 1 | 4 | 6.8 | O=C(NC[C@H]1CCCN(CC2CCCCC2)C1)[C@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1 | 10.1021/jm010480k | |||
| 155515662 | 334527 | 0 | None | -1 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 336 | 4 | 0 | 3 | 3.9 | O=C(OCc1ccccc1)N(c1ccccc1)C1CN2CCC1CC2 | 10.1016/j.bmcl.2018.12.022 | |||
| CHEMBL4441786 | 334527 | 0 | None | -1 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 336 | 4 | 0 | 3 | 3.9 | O=C(OCc1ccccc1)N(c1ccccc1)C1CN2CCC1CC2 | 10.1016/j.bmcl.2018.12.022 | |||
| 155520267 | 334996 | 0 | None | -1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 356 | 5 | 0 | 3 | 4.1 | CN1CCCC(OC(=O)N(CCc2ccc(F)cc2)c2ccccc2)C1 | 10.1016/j.bmcl.2018.12.022 | |||
| CHEMBL4448667 | 334996 | 0 | None | -1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 356 | 5 | 0 | 3 | 4.1 | CN1CCCC(OC(=O)N(CCc2ccc(F)cc2)c2ccccc2)C1 | 10.1016/j.bmcl.2018.12.022 | |||
| 71575025 | 177100 | 0 | None | 3 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 365 | 7 | 0 | 4 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2cccc(OC)c2)C1 | 10.1021/jm301774u | |||
| CHEMBL2312387 | 177100 | 0 | None | 3 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 365 | 7 | 0 | 4 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2cccc(OC)c2)C1 | 10.1021/jm301774u | |||
| 155559291 | 350619 | 0 | None | -4 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 689 | 16 | 5 | 7 | 3.2 | CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
| CHEMBL4598099 | 350619 | 0 | None | -4 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 689 | 16 | 5 | 7 | 3.2 | CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
| 44448500 | 26603 | 0 | None | -1 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 549 | 12 | 2 | 3 | 6.2 | C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCN(CCCC(O)(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2008.03.061 | |||
| CHEMBL1185248 | 26603 | 0 | None | -1 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 549 | 12 | 2 | 3 | 6.2 | C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCN(CCCC(O)(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2008.03.061 | |||
| 44627856 | 394574 | 0 | None | -1 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.9 | CN1CCC[C@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | |||
| CHEMBL569953 | 394574 | 0 | None | -1 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.9 | CN1CCC[C@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | |||
| 46227413 | 38059 | 0 | None | -1 | 5 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 188 | 2 | 0 | 2 | 0.9 | C[C@@H]1OC[C@@H](C[N+](C)(C)C)O[C@H]1C | 10.1016/j.bmc.2009.10.027 | |||
| CHEMBL1198087 | 38059 | 0 | None | -1 | 5 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 188 | 2 | 0 | 2 | 0.9 | C[C@@H]1OC[C@@H](C[N+](C)(C)C)O[C@H]1C | 10.1016/j.bmc.2009.10.027 | |||
| 71452387 | 174790 | 0 | None | -1 | 7 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 2 | 1 | 4 | 1.7 | OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2012.08.046 | |||
| CHEMBL2205829 | 174790 | 0 | None | -1 | 7 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 2 | 1 | 4 | 1.7 | OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2012.08.046 | |||
| 71452387 | 174790 | 0 | None | -1 | 7 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 2 | 1 | 4 | 1.7 | OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccc2c(c1)OCO2 | 10.1016/j.bmc.2013.07.045 | |||
| CHEMBL2205829 | 174790 | 0 | None | -1 | 7 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 2 | 1 | 4 | 1.7 | OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccc2c(c1)OCO2 | 10.1016/j.bmc.2013.07.045 | |||
| 2274 | 6448 | 36 | None | -8 | 25 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | |||
| 4917 | 6448 | 36 | None | -8 | 25 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | |||
| 7279 | 6448 | 36 | None | -8 | 25 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | |||
| CHEMBL728 | 6448 | 36 | None | -8 | 25 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | |||
| DB00433 | 6448 | 36 | None | -8 | 25 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | |||
| 11071537 | 60170 | 0 | None | -10 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 495 | 17 | 0 | 10 | 5.5 | COc1nsnc1OCCCCCCCCCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | |||
| CHEMBL136027 | 60170 | 0 | None | -10 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 495 | 17 | 0 | 10 | 5.5 | COc1nsnc1OCCCCCCCCCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | |||
| 122203596 | 311736 | 0 | None | -97 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 627 | 14 | 3 | 7 | 4.3 | CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1016/j.ejmech.2021.113159 | |||
| CHEMBL4059733 | 311736 | 0 | None | -97 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 627 | 14 | 3 | 7 | 4.3 | CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1016/j.ejmech.2021.113159 | |||
| 156010212 | 352152 | 0 | None | -4 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.1 | C[N+](C)(C)C[C@@H]1COC(c2ccccc2)(c2ccccc2)CO1 | 10.1021/acs.jmedchem.9b02100 | |||
| CHEMBL4650562 | 352152 | 0 | None | -4 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.1 | C[N+](C)(C)C[C@@H]1COC(c2ccccc2)(c2ccccc2)CO1 | 10.1021/acs.jmedchem.9b02100 | |||
| 3652 | 8876 | 57 | None | -8 | 18 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0301235 | |||
| 57 | 8876 | 57 | None | -8 | 18 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0301235 | |||
| 60809 | 8876 | 57 | None | -8 | 18 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0301235 | |||
| CHEMBL21536 | 8876 | 57 | None | -8 | 18 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0301235 | |||
| DB15357 | 8876 | 57 | None | -8 | 18 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0301235 | |||
| 156010398 | 352151 | 0 | None | -7 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 376 | 5 | 0 | 4 | 2.7 | C[N+](C)(C)C[C@@H]1COC[C@@H](c2ccc(S(=O)(=O)c3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | |||
| CHEMBL4650561 | 352151 | 0 | None | -7 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 376 | 5 | 0 | 4 | 2.7 | C[N+](C)(C)C[C@@H]1COC[C@@H](c2ccc(S(=O)(=O)c3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | |||
| 3652 | 8876 | 57 | None | -8 | 18 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0606995 | |||
| 57 | 8876 | 57 | None | -8 | 18 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0606995 | |||
| 60809 | 8876 | 57 | None | -8 | 18 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0606995 | |||
| CHEMBL21536 | 8876 | 57 | None | -8 | 18 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0606995 | |||
| DB15357 | 8876 | 57 | None | -8 | 18 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0606995 | |||
| 7141656 | 350796 | 3 | None | -4 | 5 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 151 | 1 | 1 | 2 | 2.0 | Cc1ccc([C@H]2CCCN2)o1 | 10.1021/jm800145d | |||
| CHEMBL461089 | 350796 | 3 | None | -4 | 5 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 151 | 1 | 1 | 2 | 2.0 | Cc1ccc([C@H]2CCCN2)o1 | 10.1021/jm800145d | |||
| 3257 | 8733 | 53 | None | None | None | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F | 10.1021/jm900286j | |||
| 42633508 | 8733 | 53 | None | None | None | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F | 10.1021/jm900286j | |||
| CHEMBL466253 | 8733 | 53 | None | None | None | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F | 10.1021/jm900286j | |||
| 118710662 | 239456 | 0 | None | -1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 633 | 15 | 1 | 5 | 5.4 | CC(C)(CN1C(=O)c2ccccc2C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm500790x | |||
| CHEMBL3558229 | 239456 | 0 | None | -1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 633 | 15 | 1 | 5 | 5.4 | CC(C)(CN1C(=O)c2ccccc2C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm500790x | |||
| 118710668 | 239460 | 0 | None | -1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 619 | 15 | 1 | 6 | 3.8 | C[N+](C)(CCCCCC[N+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm500790x | |||
| CHEMBL3558234 | 239460 | 0 | None | -1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 619 | 15 | 1 | 6 | 3.8 | C[N+](C)(CCCCCC[N+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm500790x | |||
| 16086000 | 161811 | 0 | None | -3090 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 676 | 9 | 2 | 5 | 4.2 | CN1CCC(CNC(=O)[C@H]2CCCN2C(=O)[C@@H]2C[C@@H](O)CN2C(=O)CC(c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1021/jm051205r | |||
| CHEMBL214342 | 161811 | 0 | None | -3090 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 676 | 9 | 2 | 5 | 4.2 | CN1CCC(CNC(=O)[C@H]2CCCN2C(=O)[C@@H]2C[C@@H](O)CN2C(=O)CC(c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1021/jm051205r | |||
| 16086001 | 276541 | 0 | None | -9332 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 716 | 11 | 2 | 5 | 5.0 | O=C(NCC1CCN(CC2CC2)CC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm051205r | |||
| CHEMBL378772 | 276541 | 0 | None | -9332 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 716 | 11 | 2 | 5 | 5.0 | O=C(NCC1CCN(CC2CC2)CC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm051205r | |||
| 155521639 | 335241 | 0 | None | -1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 424 | 8 | 0 | 5 | 4.4 | COc1ccc(CCCOC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1OC | 10.1016/j.bmcl.2018.12.022 | |||
| CHEMBL4451822 | 335241 | 0 | None | -1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 424 | 8 | 0 | 5 | 4.4 | COc1ccc(CCCOC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1OC | 10.1016/j.bmcl.2018.12.022 | |||
| 3257 | 8733 | 53 | None | None | None | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F | 10.1021/jm900286j | |||
| 42633508 | 8733 | 53 | None | None | None | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F | 10.1021/jm900286j | |||
| CHEMBL466253 | 8733 | 53 | None | None | None | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F | 10.1021/jm900286j | |||
| 155513986 | 350454 | 0 | None | -95 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 760 | 19 | 10 | 8 | 1.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
| CHEMBL4596667 | 350454 | 0 | None | -95 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 760 | 19 | 10 | 8 | 1.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
| 177372529 | 393582 | 0 | None | 1 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 347 | 3 | 0 | 5 | 3.0 | CN1[C@@H]2C[C@@H](Oc3nc4ccccc4n3-c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12 | 10.1016/j.ejmech.2023.115891 | |||
| CHEMBL5639538 | 393582 | 0 | None | 1 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 347 | 3 | 0 | 5 | 3.0 | CN1[C@@H]2C[C@@H](Oc3nc4ccccc4n3-c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12 | 10.1016/j.ejmech.2023.115891 | |||
| 156016041 | 352162 | 0 | None | -208 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 1238 | 28 | 4 | 13 | 9.9 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCNC(=O)CCc3cn(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)cn3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | |||
| CHEMBL4650627 | 352162 | 0 | None | -208 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 1238 | 28 | 4 | 13 | 9.9 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCNC(=O)CCc3cn(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)cn3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | |||
| 3168 | 23567 | 68 | None | -147 | 19 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | nan | |||
| 966 | 23567 | 68 | None | -147 | 19 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | nan | |||
| CHEMBL1108 | 23567 | 68 | None | -147 | 19 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | nan | |||
| DB00450 | 23567 | 68 | None | -147 | 19 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | nan | |||
| 3675988 | 350794 | 38 | None | -1 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 137 | 1 | 1 | 2 | 1.7 | c1coc(C2CCCN2)c1 | 10.1021/jm800145d | |||
| CHEMBL461087 | 350794 | 38 | None | -1 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 137 | 1 | 1 | 2 | 1.7 | c1coc(C2CCCN2)c1 | 10.1021/jm800145d | |||
| 46227485 | 38043 | 0 | None | -1 | 5 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 202 | 2 | 0 | 2 | 1.3 | C[C@@H]1OC[C@@H](C[N+](C)(C)C)OC1(C)C | 10.1016/j.bmc.2009.10.027 | |||
| CHEMBL1198034 | 38043 | 0 | None | -1 | 5 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 202 | 2 | 0 | 2 | 1.3 | C[C@@H]1OC[C@@H](C[N+](C)(C)C)OC1(C)C | 10.1016/j.bmc.2009.10.027 | |||
| 44428745 | 182968 | 0 | None | -28 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 635 | 23 | 2 | 6 | 7.9 | COc1ccccc1CNCCCCCCN1CCC(CCC2CCN(CCCCCCNCc3ccccc3OC)CC2)CC1 | 10.1016/j.bmc.2007.01.022 | |||
| CHEMBL242345 | 182968 | 0 | None | -28 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 635 | 23 | 2 | 6 | 7.9 | COc1ccccc1CNCCCCCCN1CCC(CCC2CCN(CCCCCCNCc3ccccc3OC)CC2)CC1 | 10.1016/j.bmc.2007.01.022 | |||
| 9911615 | 199260 | 0 | None | -851 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 450 | 5 | 0 | 6 | 5.5 | CCCc1c(C(=O)OCC)c2c3c(ccc2n1C)OC1c2ccc(SC)cc2CCN1C3 | 10.1021/jm011116o | |||
| CHEMBL280220 | 199260 | 0 | None | -851 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 450 | 5 | 0 | 6 | 5.5 | CCCc1c(C(=O)OCC)c2c3c(ccc2n1C)OC1c2ccc(SC)cc2CCN1C3 | 10.1021/jm011116o | |||
| 44455198 | 197960 | 0 | None | -3 | 10 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 899 | 22 | 3 | 7 | 10.3 | CC(C)N(CC[C@H](c1ccccc1)c1cc(CCNC(=O)CCCCCNC(=O)COc2ccc(/C=C/C3=[N+]4C(=Cc5ccc(-c6cccs6)n5[B-]4(F)F)C=C3)cc2)ccc1O)C(C)C | 10.1016/j.bmcl.2007.11.022 | |||
| CHEMBL271108 | 197960 | 0 | None | -3 | 10 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 899 | 22 | 3 | 7 | 10.3 | CC(C)N(CC[C@H](c1ccccc1)c1cc(CCNC(=O)CCCCCNC(=O)COc2ccc(/C=C/C3=[N+]4C(=Cc5ccc(-c6cccs6)n5[B-]4(F)F)C=C3)cc2)ccc1O)C(C)C | 10.1016/j.bmcl.2007.11.022 | |||
| 44455198 | 197960 | 0 | None | -3 | 10 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 899 | 22 | 3 | 7 | 10.3 | CC(C)N(CC[C@H](c1ccccc1)c1cc(CCNC(=O)CCCCCNC(=O)COc2ccc(/C=C/C3=[N+]4C(=Cc5ccc(-c6cccs6)n5[B-]4(F)F)C=C3)cc2)ccc1O)C(C)C | 10.1021/acs.jmedchem.8b00041 | |||
| CHEMBL271108 | 197960 | 0 | None | -3 | 10 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 899 | 22 | 3 | 7 | 10.3 | CC(C)N(CC[C@H](c1ccccc1)c1cc(CCNC(=O)CCCCCNC(=O)COc2ccc(/C=C/C3=[N+]4C(=Cc5ccc(-c6cccs6)n5[B-]4(F)F)C=C3)cc2)ccc1O)C(C)C | 10.1021/acs.jmedchem.8b00041 | |||
| 3000322 | 7238 | 26 | None | -6 | 7 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 303 | 4 | 1 | 5 | 0.9 | OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C | 10.1021/jm301774u | |||
| 330 | 7238 | 26 | None | -6 | 7 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 303 | 4 | 1 | 5 | 0.9 | OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C | 10.1021/jm301774u | |||
| CHEMBL569713 | 7238 | 26 | None | -6 | 7 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 303 | 4 | 1 | 5 | 0.9 | OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C | 10.1021/jm301774u | |||
| DB00747 | 7238 | 26 | None | -6 | 7 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 303 | 4 | 1 | 5 | 0.9 | OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C | 10.1021/jm301774u | |||
| 71452382 | 174781 | 0 | None | -53 | 10 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 4 | 1 | 3 | 2.0 | COc1ccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1 | 10.1016/j.bmcl.2012.08.046 | |||
| CHEMBL2205812 | 174781 | 0 | None | -53 | 10 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 4 | 1 | 3 | 2.0 | COc1ccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1 | 10.1016/j.bmcl.2012.08.046 | |||
| 16085999 | 161748 | 0 | None | -3548 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 676 | 10 | 3 | 5 | 4.3 | O=C(NCCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm051205r | |||
| CHEMBL214029 | 161748 | 0 | None | -3548 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 676 | 10 | 3 | 5 | 4.3 | O=C(NCCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm051205r | |||
| 16086060 | 333573 | 0 | None | -4365 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 662 | 9 | 3 | 5 | 3.9 | O=C(NC[C@@H]1CCCNC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm051205r | |||
| CHEMBL438822 | 333573 | 0 | None | -4365 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 662 | 9 | 3 | 5 | 3.9 | O=C(NC[C@@H]1CCCNC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm051205r | |||
| 11809446 | 122457 | 0 | None | -3 | 5 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 322 | 6 | 0 | 4 | 2.7 | CN(C)CCOC(=O)C1=C(Cc2ccccn2)c2ccccc2C1 | 10.1021/jm020895l | |||
| CHEMBL172234 | 122457 | 0 | None | -3 | 5 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 322 | 6 | 0 | 4 | 2.7 | CN(C)CCOC(=O)C1=C(Cc2ccccn2)c2ccccc2C1 | 10.1021/jm020895l | |||
| 162677523 | 367008 | 0 | None | -891 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 930 | 14 | 2 | 10 | 5.8 | CN(C)c1ccc2c(-c3ccc(C(=O)NCCN4CCN(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)CC4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1 | 10.1039/d0md00137f | |||
| CHEMBL4802932 | 367008 | 0 | None | -891 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 930 | 14 | 2 | 10 | 5.8 | CN(C)c1ccc2c(-c3ccc(C(=O)NCCN4CCN(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)CC4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1 | 10.1039/d0md00137f | |||
| 44274302 | 158709 | 0 | None | -2 | 5 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 320 | 5 | 0 | 4 | 3.1 | CN(C)CCOC(=O)C1=C/C(=C\c2ccccn2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | |||
| CHEMBL20732 | 158709 | 0 | None | -2 | 5 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 320 | 5 | 0 | 4 | 3.1 | CN(C)CCOC(=O)C1=C/C(=C\c2ccccn2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | |||
| 2726 | 1895 | 54 | None | -5 | 48 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
| 621 | 1895 | 54 | None | -5 | 48 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
| 83 | 1895 | 54 | None | -5 | 48 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
| CHEMBL71 | 1895 | 54 | None | -5 | 48 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
| DB00477 | 1895 | 54 | None | -5 | 48 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
| 171349519 | 386938 | 0 | None | -10 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 1002 | 24 | 3 | 6 | 13.3 | CN1/C(=C/C=C/C=C/C2=[N+](CCCCCC(=O)NCCCNCCCCCCN3CCC(COC(=O)Nc4ccc(F)cc4-c4ccc(F)c(Cl)c4)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acs.jmedchem.2c01376 | |||
| CHEMBL5289083 | 386938 | 0 | None | -10 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 1002 | 24 | 3 | 6 | 13.3 | CN1/C(=C/C=C/C=C/C2=[N+](CCCCCC(=O)NCCCNCCCCCCN3CCC(COC(=O)Nc4ccc(F)cc4-c4ccc(F)c(Cl)c4)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acs.jmedchem.2c01376 | |||
| 177372523 | 393593 | 0 | None | 1 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 307 | 3 | 0 | 4 | 3.5 | CN1CCC(Oc2nc3ccccc3n2-c2ccccc2)CC1 | 10.1016/j.ejmech.2023.115891 | |||
| CHEMBL5639729 | 393593 | 0 | None | 1 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 307 | 3 | 0 | 4 | 3.5 | CN1CCC(Oc2nc3ccccc3n2-c2ccccc2)CC1 | 10.1016/j.ejmech.2023.115891 | |||
| 44517677 | 390257 | 0 | None | 2 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 326 | 4 | 1 | 2 | 3.3 | O=C(c1ccccc1C(F)(F)F)N(CC1CCC1)[C@H]1CCNC1 | 10.1016/j.bmcl.2009.06.096 | |||
| CHEMBL552338 | 390257 | 0 | None | 2 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 326 | 4 | 1 | 2 | 3.3 | O=C(c1ccccc1C(F)(F)F)N(CC1CCC1)[C@H]1CCNC1 | 10.1016/j.bmcl.2009.06.096 | |||
| 44593622 | 371025 | 0 | None | -3 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 356 | 3 | 0 | 2 | 3.3 | C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | |||
| CHEMBL495888 | 371025 | 0 | None | -3 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 356 | 3 | 0 | 2 | 3.3 | C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | |||
| 122194376 | 251946 | 0 | None | -1 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 366 | 7 | 1 | 3 | 3.4 | COc1ccc(CCC(=O)NCC2(c3ccccc3)CCN(C)CC2)cc1 | 10.1016/j.bmcl.2015.10.029 | |||
| CHEMBL3627739 | 251946 | 0 | None | -1 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 366 | 7 | 1 | 3 | 3.4 | COc1ccc(CCC(=O)NCC2(c3ccccc3)CCN(C)CC2)cc1 | 10.1016/j.bmcl.2015.10.029 | |||
| 11498 | 6149 | 38 | None | -151 | 13 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 392 | 3 | 1 | 5 | 4.1 | CCOC(=O)c1c(C)[nH]c2c1c1CN3CCc4c(C3Oc1cc2)ccc(c4)OC | 10.1016/j.bmcl.2008.03.061 | |||
| 4995951 | 6149 | 38 | None | -151 | 13 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 392 | 3 | 1 | 5 | 4.1 | CCOC(=O)c1c(C)[nH]c2c1c1CN3CCc4c(C3Oc1cc2)ccc(c4)OC | 10.1016/j.bmcl.2008.03.061 | |||
| CHEMBL59898 | 6149 | 38 | None | -151 | 13 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 392 | 3 | 1 | 5 | 4.1 | CCOC(=O)c1c(C)[nH]c2c1c1CN3CCc4c(C3Oc1cc2)ccc(c4)OC | 10.1016/j.bmcl.2008.03.061 | |||
| 156015051 | 352243 | 0 | None | -4 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 360 | 5 | 0 | 3 | 3.0 | C[N+](C)(C)C[C@@H]1COC[C@@H](c2ccc([S+]([O-])c3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | |||
| CHEMBL4651139 | 352243 | 0 | None | -4 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 360 | 5 | 0 | 3 | 3.0 | C[N+](C)(C)C[C@@H]1COC[C@@H](c2ccc([S+]([O-])c3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | |||
| 44448457 | 26187 | 0 | None | -1 | 5 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 566 | 15 | 2 | 2 | 6.6 | C[N+](C)(CCCC(O)(c1ccccc1)c1ccccc1)CC[N+](C)(C)CCCC(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2008.03.061 | |||
| CHEMBL1182638 | 26187 | 0 | None | -1 | 5 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 566 | 15 | 2 | 2 | 6.6 | C[N+](C)(CCCC(O)(c1ccccc1)c1ccccc1)CC[N+](C)(C)CCCC(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2008.03.061 | |||
| 178313861 | 466361 | 0 | None | -75 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 1235 | 28 | 5 | 15 | 8.7 | O=C(CCOCCOCCNC(=O)c1ccc(-c2c3cc(F)c(=O)cc-3oc3cc(O)c(F)cc23)c(C(=O)O)c1)NCCOCCOCCNc1ccccc1C(=O)N1CCC(N2CCC(Cc3ccc(S(=O)(=O)c4cccc(Cl)c4)cc3)CC2)CC1 | 10.1021/acsmedchemlett.4c00592 | |||
| CHEMBL6143437 | 466361 | 0 | None | -75 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 1235 | 28 | 5 | 15 | 8.7 | O=C(CCOCCOCCNC(=O)c1ccc(-c2c3cc(F)c(=O)cc-3oc3cc(O)c(F)cc23)c(C(=O)O)c1)NCCOCCOCCNc1ccccc1C(=O)N1CCC(N2CCC(Cc3ccc(S(=O)(=O)c4cccc(Cl)c4)cc3)CC2)CC1 | 10.1021/acsmedchemlett.4c00592 | |||
| 53324553 | 119653 | 0 | None | -2 | 10 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 283 | 4 | 1 | 1 | 3.1 | Fc1cccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)c1 | 10.1016/j.bmcl.2010.11.075 | |||
| CHEMBL1643900 | 119653 | 0 | None | -2 | 10 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 283 | 4 | 1 | 1 | 3.1 | Fc1cccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)c1 | 10.1016/j.bmcl.2010.11.075 | |||
| 53324553 | 119653 | 0 | None | -2 | 10 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 283 | 4 | 1 | 1 | 3.1 | Fc1cccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)c1 | 10.1016/j.bmc.2013.07.045 | |||
| CHEMBL1643900 | 119653 | 0 | None | -2 | 10 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 283 | 4 | 1 | 1 | 3.1 | Fc1cccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)c1 | 10.1016/j.bmc.2013.07.045 | |||
| 10865439 | 44474 | 0 | None | -19 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 715 | 15 | 0 | 6 | 7.6 | COc1ccccc1CN1CCC(C2CCN(C(=O)CCCCCCC(=O)N3CCC(C4CCN(Cc5ccccc5OC)CC4)CC3)CC2)CC1 | 10.1021/jm0155594 | |||
| CHEMBL130835 | 44474 | 0 | None | -19 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 715 | 15 | 0 | 6 | 7.6 | COc1ccccc1CN1CCC(C2CCN(C(=O)CCCCCCC(=O)N3CCC(C4CCN(Cc5ccccc5OC)CC4)CC3)CC2)CC1 | 10.1021/jm0155594 | |||
| 44437259 | 26153 | 0 | None | -1 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 3.0 | C[N+]1(CC#CCOc2cc(-c3ccccc3)on2)CCCC1 | 10.1016/j.bmc.2007.09.003 | |||
| CHEMBL1182448 | 26153 | 0 | None | -1 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 3.0 | C[N+]1(CC#CCOc2cc(-c3ccccc3)on2)CCCC1 | 10.1016/j.bmc.2007.09.003 | |||
| 1016 | 8173 | 46 | None | -19 | 35 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
| 2561 | 8173 | 46 | None | -19 | 35 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
| 2733526 | 8173 | 46 | None | -19 | 35 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
| CHEMBL83 | 8173 | 46 | None | -19 | 35 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
| DB00675 | 8173 | 46 | None | -19 | 35 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
| 5318 | 39468 | 43 | None | -3 | 13 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
| CHEMBL1221 | 39468 | 43 | None | -3 | 13 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
| DB06820 | 39468 | 43 | None | -3 | 13 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
| 3158 | 18465 | 32 | None | -23 | 22 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CC/C=C1/c2ccccc2COc2ccccc21 | nan | |||
| 667468 | 18465 | 32 | None | -23 | 22 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CC/C=C1/c2ccccc2COc2ccccc21 | nan | |||
| 956 | 18465 | 32 | None | -23 | 22 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CC/C=C1/c2ccccc2COc2ccccc21 | nan | |||
| CHEMBL101740 | 18465 | 32 | None | -23 | 22 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CC/C=C1/c2ccccc2COc2ccccc21 | nan | |||
| CHEMBL1628227 | 18465 | 32 | None | -23 | 22 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CC/C=C1/c2ccccc2COc2ccccc21 | nan | |||
| DB01142 | 18465 | 32 | None | -23 | 22 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CC/C=C1/c2ccccc2COc2ccccc21 | nan | |||
| DB14750 | 18465 | 32 | None | -23 | 22 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CC/C=C1/c2ccccc2COc2ccccc21 | nan | |||
| 145960466 | 317064 | 0 | None | -4 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 379 | 5 | 0 | 4 | 3.5 | c1ccc(C2(c3ccccc3)COC[C@H](CO[C@@H]3CN4CCC3CC4)O2)cc1 | 10.1016/j.ejmech.2017.06.004 | |||
| CHEMBL4128341 | 317064 | 0 | None | -4 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 379 | 5 | 0 | 4 | 3.5 | c1ccc(C2(c3ccccc3)COC[C@H](CO[C@@H]3CN4CCC3CC4)O2)cc1 | 10.1016/j.ejmech.2017.06.004 | |||
| 118710664 | 239458 | 0 | None | -1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 683 | 15 | 1 | 5 | 6.6 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm500790x | |||
| CHEMBL3558231 | 239458 | 0 | None | -1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 683 | 15 | 1 | 5 | 6.6 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm500790x | |||
| 155525691 | 335573 | 0 | None | 1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 368 | 6 | 0 | 4 | 4.0 | COc1ccc(CCN(C(=O)OC2CCN(C)CC2)c2ccccc2)cc1 | 10.1016/j.bmcl.2018.12.022 | |||
| CHEMBL4456775 | 335573 | 0 | None | 1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 368 | 6 | 0 | 4 | 4.0 | COc1ccc(CCN(C(=O)OC2CCN(C)CC2)c2ccccc2)cc1 | 10.1016/j.bmcl.2018.12.022 | |||
| 71575453 | 177084 | 0 | None | 1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 367 | 6 | 0 | 4 | 4.3 | CSc1ccc(CCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1 | 10.1021/jm301774u | |||
| CHEMBL2312367 | 177084 | 0 | None | 1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 367 | 6 | 0 | 4 | 4.3 | CSc1ccc(CCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1 | 10.1021/jm301774u | |||
| 71575225 | 177098 | 0 | None | -1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 341 | 6 | 0 | 4 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccsc2)C1 | 10.1021/jm301774u | |||
| CHEMBL2312384 | 177098 | 0 | None | -1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 341 | 6 | 0 | 4 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccsc2)C1 | 10.1021/jm301774u | |||
| 71575117 | 177104 | 0 | None | -1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 353 | 6 | 0 | 3 | 4.1 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(F)cc2)C1 | 10.1021/jm301774u | |||
| CHEMBL2312392 | 177104 | 0 | None | -1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 353 | 6 | 0 | 3 | 4.1 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(F)cc2)C1 | 10.1021/jm301774u | |||
| 156009660 | 352244 | 0 | None | -4 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 360 | 5 | 0 | 3 | 3.0 | C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccc([S+]([O-])c3ccccc3)cc2)CO1 | 10.1021/acs.jmedchem.9b02100 | |||
| CHEMBL4651150 | 352244 | 0 | None | -4 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 360 | 5 | 0 | 3 | 3.0 | C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccc([S+]([O-])c3ccccc3)cc2)CO1 | 10.1021/acs.jmedchem.9b02100 | |||
| 44274469 | 162062 | 1 | None | -1 | 5 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 276 | 4 | 0 | 2 | 4.0 | CN(C)CCC1=C/C(=C\c2ccccn2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | |||
| CHEMBL21509 | 162062 | 1 | None | -1 | 5 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 276 | 4 | 0 | 2 | 4.0 | CN(C)CCC1=C/C(=C\c2ccccn2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | |||
| 4715419 | 365919 | 30 | None | -4 | 5 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 151 | 1 | 1 | 2 | 2.0 | Cc1ccc(C2CCCN2)o1 | 10.1021/jm800145d | |||
| CHEMBL505086 | 365919 | 30 | None | -4 | 5 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 151 | 1 | 1 | 2 | 2.0 | Cc1ccc(C2CCCN2)o1 | 10.1021/jm800145d | |||
| 44593624 | 371349 | 0 | None | -2 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | |||
| CHEMBL498357 | 371349 | 0 | None | -2 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | |||
| 137661377 | 315060 | 0 | None | -371 | 8 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 314 | 6 | 0 | 2 | 3.9 | CCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/acs.jmedchem.8b00265 | |||
| CHEMBL4098720 | 315060 | 0 | None | -371 | 8 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 314 | 6 | 0 | 2 | 3.9 | CCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/acs.jmedchem.8b00265 | |||
| 145960592 | 316905 | 0 | None | -5 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 393 | 4 | 0 | 5 | 3.0 | O=C(O[C@H]1CN2CCC1CC2)[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | |||
| 145961125 | 316905 | 0 | None | -5 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 393 | 4 | 0 | 5 | 3.0 | O=C(O[C@H]1CN2CCC1CC2)[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | |||
| CHEMBL4126071 | 316905 | 0 | None | -5 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 393 | 4 | 0 | 5 | 3.0 | O=C(O[C@H]1CN2CCC1CC2)[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | |||
| CHEMBL4128667 | 316905 | 0 | None | -5 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 393 | 4 | 0 | 5 | 3.0 | O=C(O[C@H]1CN2CCC1CC2)[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | |||
| 11143997 | 19361 | 0 | None | -275 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 408 | 3 | 1 | 5 | 4.8 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(SC)ccc2C1O3 | 10.1021/jm011116o | |||
| CHEMBL105122 | 19361 | 0 | None | -275 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 408 | 3 | 1 | 5 | 4.8 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(SC)ccc2C1O3 | 10.1021/jm011116o | |||
| 11729182 | 19569 | 0 | None | -4 | 5 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 405 | 3 | 1 | 4 | 4.0 | CCN(C)C(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | |||
| CHEMBL106259 | 19569 | 0 | None | -4 | 5 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 405 | 3 | 1 | 4 | 4.0 | CCN(C)C(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | |||
| 73350931 | 183342 | 0 | None | -4 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 2.4 | CN(Cc1ccccc1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21 | 10.1016/j.bmc.2013.07.045 | |||
| CHEMBL2432040 | 183342 | 0 | None | -4 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 2.4 | CN(Cc1ccccc1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21 | 10.1016/j.bmc.2013.07.045 | |||
| 155560013 | 350269 | 0 | None | -47 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 789 | 21 | 9 | 9 | 1.4 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
| CHEMBL4595198 | 350269 | 0 | None | -47 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 789 | 21 | 9 | 9 | 1.4 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
| 156015141 | 352182 | 0 | None | -12 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 668 | 11 | 1 | 4 | 8.2 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.9b02172 | |||
| CHEMBL4650774 | 352182 | 0 | None | -12 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 668 | 11 | 1 | 4 | 8.2 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.9b02172 | |||
| 10969390 | 122455 | 0 | None | -275 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 324 | 7 | 0 | 2 | 4.5 | CC(C1=C(CCN(C)CCF)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | |||
| CHEMBL172233 | 122455 | 0 | None | -275 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 324 | 7 | 0 | 2 | 4.5 | CC(C1=C(CCN(C)CCF)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | |||
| 11099206 | 239416 | 0 | None | -5 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 318 | 5 | 0 | 2 | 4.7 | CC(C1=C(CCN2CCCC2)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | |||
| CHEMBL355455 | 239416 | 0 | None | -5 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 318 | 5 | 0 | 2 | 4.7 | CC(C1=C(CCN2CCCC2)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | |||
| 1395 | 99516 | 64 | None | -2 | 9 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 335 | 9 | 2 | 4 | 3.8 | CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 | 10.1038/s41586-020-2286-9 | |||
| 3652 | 99516 | 64 | None | -2 | 9 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 335 | 9 | 2 | 4 | 3.8 | CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 | 10.1038/s41586-020-2286-9 | |||
| CHEMBL1535 | 99516 | 64 | None | -2 | 9 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 335 | 9 | 2 | 4 | 3.8 | CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 | 10.1038/s41586-020-2286-9 | |||
| DB01611 | 99516 | 64 | None | -2 | 9 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 335 | 9 | 2 | 4 | 3.8 | CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 | 10.1038/s41586-020-2286-9 | |||
| 2551 | 1644 | 11 | None | -363 | 11 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0301235 | |||
| 298 | 1644 | 11 | None | -363 | 11 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0301235 | |||
| 488 | 1644 | 11 | None | -363 | 11 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0301235 | |||
| 5831 | 1644 | 11 | None | -363 | 11 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0301235 | |||
| CHEMBL965 | 1644 | 11 | None | -363 | 11 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0301235 | |||
| DB00411 | 1644 | 11 | None | -363 | 11 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0301235 | |||
| 2551 | 1644 | 11 | None | -363 | 11 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | |||
| 298 | 1644 | 11 | None | -363 | 11 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | |||
| 488 | 1644 | 11 | None | -363 | 11 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | |||
| 5831 | 1644 | 11 | None | -363 | 11 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | |||
| CHEMBL965 | 1644 | 11 | None | -363 | 11 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | |||
| DB00411 | 1644 | 11 | None | -363 | 11 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | |||
| 2705 | 8363 | 46 | None | 1 | 11 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1016/j.bmcl.2007.11.022 | |||
| 360 | 8363 | 46 | None | 1 | 11 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1016/j.bmcl.2007.11.022 | |||
| 443879 | 8363 | 46 | None | 1 | 11 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1016/j.bmcl.2007.11.022 | |||
| CHEMBL1382 | 8363 | 46 | None | 1 | 11 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1016/j.bmcl.2007.11.022 | |||
| DB01036 | 8363 | 46 | None | 1 | 11 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1016/j.bmcl.2007.11.022 | |||
| 2705 | 8363 | 46 | None | -1 | 11 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1021/acs.jmedchem.8b00041 | |||
| 360 | 8363 | 46 | None | -1 | 11 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1021/acs.jmedchem.8b00041 | |||
| 443879 | 8363 | 46 | None | -1 | 11 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1021/acs.jmedchem.8b00041 | |||
| CHEMBL1382 | 8363 | 46 | None | -1 | 11 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1021/acs.jmedchem.8b00041 | |||
| DB01036 | 8363 | 46 | None | -1 | 11 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1021/acs.jmedchem.8b00041 | |||
| 118719922 | 234710 | 0 | None | -2 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 565 | 14 | 0 | 7 | 6.1 | CN1CCC=C(c2nsnc2OCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | |||
| CHEMBL3354068 | 234710 | 0 | None | -2 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 565 | 14 | 0 | 7 | 6.1 | CN1CCC=C(c2nsnc2OCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | |||
| 319 | 7908 | 34 | None | -2 | 9 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1021/jm010480k | |||
| 444031 | 7908 | 34 | None | -2 | 9 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1021/jm010480k | |||
| 784 | 7908 | 34 | None | -2 | 9 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1021/jm010480k | |||
| CHEMBL1346 | 7908 | 34 | None | -2 | 9 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1021/jm010480k | |||
| 2028 | 6066 | 59 | None | -5 | 10 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | |||
| 359 | 6066 | 59 | None | -5 | 10 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | |||
| 4634 | 6066 | 59 | None | -5 | 10 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | |||
| CHEMBL1231 | 6066 | 59 | None | -5 | 10 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | |||
| DB01062 | 6066 | 59 | None | -5 | 10 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | |||
| 156020548 | 352098 | 0 | None | -1 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 303 | 4 | 0 | 3 | 3.4 | CN(C)CC1COCC(c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | |||
| CHEMBL4649224 | 352098 | 0 | None | -1 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 303 | 4 | 0 | 3 | 3.4 | CN(C)CC1COCC(c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | |||
| 171351429 | 386951 | 0 | None | -4 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 973 | 22 | 2 | 5 | 14.1 | CN1/C(=C/C=C/C=C/C2=[N+](CCCCCC(=O)NCCCCCCCCN3CCC(COC(=O)Nc4ccc(F)cc4-c4ccc(F)c(Cl)c4)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acs.jmedchem.2c01376 | |||
| CHEMBL5289601 | 386951 | 0 | None | -4 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 973 | 22 | 2 | 5 | 14.1 | CN1/C(=C/C=C/C=C/C2=[N+](CCCCCC(=O)NCCCCCCCCN3CCC(COC(=O)Nc4ccc(F)cc4-c4ccc(F)c(Cl)c4)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acs.jmedchem.2c01376 | |||
| 177372527 | 393613 | 0 | None | 1 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 319 | 3 | 0 | 4 | 3.5 | c1ccc(-n2c(O[C@H]3CN4CCC3CC4)nc3ccccc32)cc1 | 10.1016/j.ejmech.2023.115891 | |||
| CHEMBL5639994 | 393613 | 0 | None | 1 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 319 | 3 | 0 | 4 | 3.5 | c1ccc(-n2c(O[C@H]3CN4CCC3CC4)nc3ccccc32)cc1 | 10.1016/j.ejmech.2023.115891 | |||
| 277 | 2680 | 45 | None | -8 | 34 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | |||
| 2913 | 2680 | 45 | None | -8 | 34 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | |||
| 765 | 2680 | 45 | None | -8 | 34 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | |||
| CHEMBL516 | 2680 | 45 | None | -8 | 34 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | |||
| DB00434 | 2680 | 45 | None | -8 | 34 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | |||
| 13567081 | 25514 | 0 | None | -2 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 320 | 4 | 0 | 2 | 4.3 | C[N+](C)(C)C[C@@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | |||
| CHEMBL1178839 | 25514 | 0 | None | -2 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 320 | 4 | 0 | 2 | 4.3 | C[N+](C)(C)C[C@@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | |||
| 101882890 | 234711 | 0 | None | -2 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 593 | 16 | 0 | 7 | 6.8 | CN1CCC=C(c2nsnc2OCCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | |||
| CHEMBL3354069 | 234711 | 0 | None | -2 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 593 | 16 | 0 | 7 | 6.8 | CN1CCC=C(c2nsnc2OCCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | |||
| 1971 | 5840 | 38 | None | -2 | 24 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | |||
| 2404 | 5840 | 38 | None | -2 | 24 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | |||
| 4543 | 5840 | 38 | None | -2 | 24 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | |||
| CHEMBL445 | 5840 | 38 | None | -2 | 24 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | |||
| DB00540 | 5840 | 38 | None | -2 | 24 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | |||
| 1999 | 473057 | 30 | None | -1 | 13 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | |||
| 4601 | 473057 | 30 | None | -1 | 13 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | |||
| CHEMBL900 | 473057 | 30 | None | -1 | 13 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | |||
| DB01173 | 473057 | 30 | None | -1 | 13 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | |||
| 118710666 | 239455 | 0 | None | 4 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 446 | 11 | 1 | 4 | 2.7 | C[N+](C)(C)CCCCCC[N+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm500790x | |||
| CHEMBL3558210 | 239455 | 0 | None | 4 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 446 | 11 | 1 | 4 | 2.7 | C[N+](C)(C)CCCCCC[N+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm500790x | |||
| 156021441 | 352074 | 0 | None | -4 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 318 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1COC[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | |||
| CHEMBL4648939 | 352074 | 0 | None | -4 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 318 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1COC[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | |||
| 44386115 | 259321 | 0 | None | -95 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 650 | 16 | 3 | 4 | 6.2 | O=C(CCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCC(=O)NCC1CCCN(CC2CCCCC2)C1 | 10.1021/jm010480k | |||
| CHEMBL369062 | 259321 | 0 | None | -95 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 650 | 16 | 3 | 4 | 6.2 | O=C(CCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCC(=O)NCC1CCCN(CC2CCCCC2)C1 | 10.1021/jm010480k | |||
| 11006792 | 160417 | 0 | None | -912 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 648 | 12 | 2 | 4 | 5.9 | O=C(CNC(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCCN(CC2CCCCC2)C1 | 10.1021/jm010480k | |||
| CHEMBL2112961 | 160417 | 0 | None | -912 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 648 | 12 | 2 | 4 | 5.9 | O=C(CNC(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCCN(CC2CCCCC2)C1 | 10.1021/jm010480k | |||
| 73346334 | 183349 | 0 | None | -2 | 7 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 265 | 4 | 1 | 1 | 3.0 | c1ccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)cc1 | 10.1016/j.bmc.2013.07.045 | |||
| CHEMBL2432048 | 183349 | 0 | None | -2 | 7 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 265 | 4 | 1 | 1 | 3.0 | c1ccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)cc1 | 10.1016/j.bmc.2013.07.045 | |||
| 137642607 | 314389 | 0 | None | -1047 | 8 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 348 | 5 | 0 | 2 | 4.2 | O=C1CCc2ccccc2N1CCCN1CCC(c2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | |||
| CHEMBL4091231 | 314389 | 0 | None | -1047 | 8 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 348 | 5 | 0 | 2 | 4.2 | O=C1CCc2ccccc2N1CCCN1CCC(c2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | |||
| 122194378 | 252059 | 0 | None | 1 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 382 | 7 | 1 | 4 | 3.6 | COc1ccc(CCOC(=O)NCC2(c3ccccc3)CCN(C)CC2)cc1 | 10.1016/j.bmcl.2015.10.029 | |||
| CHEMBL3629537 | 252059 | 0 | None | 1 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 382 | 7 | 1 | 4 | 3.6 | COc1ccc(CCOC(=O)NCC2(c3ccccc3)CCN(C)CC2)cc1 | 10.1016/j.bmcl.2015.10.029 | |||
| 2090 | 389838 | 56 | None | -17 | 10 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | nan | |||
| 4735 | 389838 | 56 | None | -17 | 10 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | nan | |||
| CHEMBL55 | 389838 | 56 | None | -17 | 10 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | nan | |||
| DB00738 | 389838 | 56 | None | -17 | 10 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | nan | |||
| 155543345 | 350646 | 0 | None | -22 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 810 | 19 | 7 | 9 | 3.5 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
| CHEMBL4598362 | 350646 | 0 | None | -22 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 810 | 19 | 7 | 9 | 3.5 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
| 11834199 | 121558 | 0 | None | -46 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 320 | 7 | 0 | 2 | 4.9 | CCN(CC)CCC1=C(C(C)c2ccccn2)c2ccccc2C1 | 10.1021/jm020895l | |||
| CHEMBL168704 | 121558 | 0 | None | -46 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 320 | 7 | 0 | 2 | 4.9 | CCN(CC)CCC1=C(C(C)c2ccccn2)c2ccccc2C1 | 10.1021/jm020895l | |||
| 24894625 | 24081 | 0 | None | -2 | 5 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 166 | 1 | 0 | 1 | 2.2 | C[N+]1(C)CCC[C@H]1c1ccco1 | 10.1021/jm800145d | |||
| CHEMBL113580 | 24081 | 0 | None | -2 | 5 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 166 | 1 | 0 | 1 | 2.2 | C[N+]1(C)CCC[C@H]1c1ccco1 | 10.1021/jm800145d | |||
| 11767229 | 160412 | 0 | None | -208 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 607 | 15 | 2 | 3 | 7.5 | O=C(CCCCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCCN(CC2CCCCC2)C1 | 10.1021/jm010480k | |||
| CHEMBL2112956 | 160412 | 0 | None | -208 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 607 | 15 | 2 | 3 | 7.5 | O=C(CCCCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCCN(CC2CCCCC2)C1 | 10.1021/jm010480k | |||
| 124087 | 2860 | 75 | None | -22 | 15 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | |||
| 7157 | 2860 | 75 | None | -22 | 15 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | |||
| 814 | 2860 | 75 | None | -22 | 15 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | |||
| CHEMBL1172 | 2860 | 75 | None | -22 | 15 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | |||
| DB00967 | 2860 | 75 | None | -22 | 15 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | |||
| 122194373 | 252056 | 0 | None | 1 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 397 | 8 | 0 | 5 | 3.8 | COc1ccc(CCC(=O)OCC2(c3ccccc3)CCN(C)CC2)cc1OC | 10.1016/j.bmcl.2015.10.029 | |||
| CHEMBL3629533 | 252056 | 0 | None | 1 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 397 | 8 | 0 | 5 | 3.8 | COc1ccc(CCC(=O)OCC2(c3ccccc3)CCN(C)CC2)cc1OC | 10.1016/j.bmcl.2015.10.029 | |||
| 2337 | 6622 | 53 | None | -20 | 36 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | |||
| 50 | 6622 | 53 | None | -20 | 36 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | |||
| 5002 | 6622 | 53 | None | -20 | 36 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | |||
| CHEMBL716 | 6622 | 53 | None | -20 | 36 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | |||
| DB01224 | 6622 | 53 | None | -20 | 36 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | |||
| 10066369 | 238928 | 0 | None | -60 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 348 | 7 | 0 | 2 | 5.7 | CC(C1=C(CCN(C(C)C)C(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | |||
| CHEMBL352375 | 238928 | 0 | None | -60 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 348 | 7 | 0 | 2 | 5.7 | CC(C1=C(CCN(C(C)C)C(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | |||
| 11012653 | 239446 | 0 | None | -15 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 320 | 6 | 0 | 2 | 4.9 | CC(C1=C(CCN(C)C(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | |||
| CHEMBL355769 | 239446 | 0 | None | -15 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 320 | 6 | 0 | 2 | 4.9 | CC(C1=C(CCN(C)C(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | |||
| 2719 | 1891 | 63 | None | -2 | 8 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | 10.1038/s41586-020-2286-9 | |||
| 5535 | 1891 | 63 | None | -2 | 8 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | 10.1038/s41586-020-2286-9 | |||
| 607 | 1891 | 63 | None | -2 | 8 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | 10.1038/s41586-020-2286-9 | |||
| CHEMBL76 | 1891 | 63 | None | -2 | 8 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | 10.1038/s41586-020-2286-9 | |||
| DB00608 | 1891 | 63 | None | -2 | 8 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | 10.1038/s41586-020-2286-9 | |||
| 657347 | 19415 | 0 | None | -186 | 6 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 160 | 2 | 0 | 2 | 0.5 | C[C@H]1OC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmc.2007.12.036 | |||
| CHEMBL105457 | 19415 | 0 | None | -186 | 6 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 160 | 2 | 0 | 2 | 0.5 | C[C@H]1OC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmc.2007.12.036 | |||
| 24894632 | 365952 | 0 | None | -1 | 5 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 165 | 1 | 0 | 2 | 2.4 | Cc1ccc(C2CCCN2C)o1 | 10.1021/jm800145d | |||
| CHEMBL513277 | 365952 | 0 | None | -1 | 5 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 165 | 1 | 0 | 2 | 2.4 | Cc1ccc(C2CCCN2C)o1 | 10.1021/jm800145d | |||
| 657347 | 19415 | 0 | None | -186 | 6 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 160 | 2 | 0 | 2 | 0.5 | C[C@H]1OC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2014.06.020 | |||
| CHEMBL105457 | 19415 | 0 | None | -186 | 6 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 160 | 2 | 0 | 2 | 0.5 | C[C@H]1OC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2014.06.020 | |||
| 42611190 | 6416 | 21 | None | -5495 | 23 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | 10.6019/CHEMBL5442175 | |||
| 5802 | 6416 | 21 | None | -5495 | 23 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | 10.6019/CHEMBL5442175 | |||
| CHEMBL1800685 | 6416 | 21 | None | -5495 | 23 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | 10.6019/CHEMBL5442175 | |||
| 137630050 | 316598 | 0 | None | -58 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | |||
| CHEMBL4116470 | 316598 | 0 | None | -58 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | |||
| 15730 | 143349 | 64 | None | -10 | 10 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 206 | 7 | 1 | 1 | 4.3 | CCCCCCCCc1ccc(O)cc1 | nan | |||
| CHEMBL195437 | 143349 | 64 | None | -10 | 10 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 206 | 7 | 1 | 1 | 4.3 | CCCCCCCCc1ccc(O)cc1 | nan | |||
| 164627445 | 371801 | 0 | None | -1047 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 831 | 21 | 8 | 11 | 1.5 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | |||
| CHEMBL5028997 | 371801 | 0 | None | -1047 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 831 | 21 | 8 | 11 | 1.5 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | |||
| 155516383 | 350633 | 0 | None | -52 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 810 | 19 | 7 | 9 | 3.5 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
| CHEMBL4598230 | 350633 | 0 | None | -52 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 810 | 19 | 7 | 9 | 3.5 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
| 44593626 | 371077 | 0 | None | -2 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | |||
| CHEMBL496306 | 371077 | 0 | None | -2 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | |||
| 9931930 | 218201 | 0 | None | -1122 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 420 | 5 | 1 | 5 | 4.8 | CCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | |||
| CHEMBL320465 | 218201 | 0 | None | -1122 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 420 | 5 | 1 | 5 | 4.8 | CCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | |||
| 11079969 | 328821 | 0 | None | -147 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 404 | 4 | 1 | 5 | 4.3 | C=CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | |||
| CHEMBL420662 | 328821 | 0 | None | -147 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 404 | 4 | 1 | 5 | 4.3 | C=CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | |||
| 71575552 | 177073 | 0 | None | 11 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 381 | 7 | 0 | 5 | 3.6 | COc1ccc(CCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1OC | 10.1021/acs.jmedchem.2c00192 | |||
| CHEMBL2312346 | 177073 | 0 | None | 11 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 381 | 7 | 0 | 5 | 3.6 | COc1ccc(CCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1OC | 10.1021/acs.jmedchem.2c00192 | |||
| 71575552 | 177073 | 0 | None | 11 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 381 | 7 | 0 | 5 | 3.6 | COc1ccc(CCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1OC | 10.1021/jm301774u | |||
| CHEMBL2312346 | 177073 | 0 | None | 11 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 381 | 7 | 0 | 5 | 3.6 | COc1ccc(CCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1OC | 10.1021/jm301774u | |||
| 2180 | 140074 | 14 | None | -53 | 18 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | nan | |||
| 6761 | 140074 | 14 | None | -53 | 18 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | nan | |||
| CHEMBL1909072 | 140074 | 14 | None | -53 | 18 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | nan | |||
| 10660 | 2953 | 69 | None | -3 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | |||
| 1224 | 2953 | 69 | None | -3 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | |||
| 3100 | 2953 | 69 | None | -3 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | |||
| 441281 | 2953 | 69 | None | -3 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | |||
| 8980 | 2953 | 69 | None | -3 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | |||
| 916 | 2953 | 69 | None | -3 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | |||
| CHEMBL1200406 | 2953 | 69 | None | -3 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | |||
| CHEMBL657 | 2953 | 69 | None | -3 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | |||
| DB00985 | 2953 | 69 | None | -3 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | |||
| DB01075 | 2953 | 69 | None | -3 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | |||
| DB13636 | 2953 | 69 | None | -3 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | |||
| 2733638 | 26188 | 0 | None | -9 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 395 | 12 | 0 | 1 | 5.3 | CCN(CC)c1ccc(/C=C/c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1 | 10.1016/j.bmcl.2007.11.022 | |||
| 6508731 | 26188 | 0 | None | -9 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 395 | 12 | 0 | 1 | 5.3 | CCN(CC)c1ccc(/C=C/c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1 | 10.1016/j.bmcl.2007.11.022 | |||
| 8030329 | 26188 | 0 | None | -9 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 395 | 12 | 0 | 1 | 5.3 | CCN(CC)c1ccc(/C=C/c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1 | 10.1016/j.bmcl.2007.11.022 | |||
| CHEMBL1182640 | 26188 | 0 | None | -9 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 395 | 12 | 0 | 1 | 5.3 | CCN(CC)c1ccc(/C=C/c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1 | 10.1016/j.bmcl.2007.11.022 | |||
| 44627956 | 28275 | 0 | None | -4 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 354 | 4 | 1 | 2 | 5.0 | C[N+]1(C)CCC[C@@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | |||
| CHEMBL1197362 | 28275 | 0 | None | -4 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 354 | 4 | 1 | 2 | 5.0 | C[N+]1(C)CCC[C@@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | |||
| 44593617 | 370668 | 0 | None | -2 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 341 | 3 | 0 | 3 | 3.1 | CN1CCC[C@H]1[C@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | |||
| CHEMBL493795 | 370668 | 0 | None | -2 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 341 | 3 | 0 | 3 | 3.1 | CN1CCC[C@H]1[C@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | |||
| 44450637 | 308731 | 0 | None | -13 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 186 | 1 | 0 | 2 | 1.0 | C[C@H]1OC[C@@H]([C@@H]2CCC[N+]2(C)C)O1 | 10.1016/j.bmc.2007.12.036 | |||
| CHEMBL402473 | 308731 | 0 | None | -13 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 186 | 1 | 0 | 2 | 1.0 | C[C@H]1OC[C@@H]([C@@H]2CCC[N+]2(C)C)O1 | 10.1016/j.bmc.2007.12.036 | |||
| 44593625 | 371350 | 0 | None | -1 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | |||
| CHEMBL498358 | 371350 | 0 | None | -1 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | |||
| 135 | 5144 | 38 | None | -27 | 42 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | |||
| 1796 | 5144 | 38 | None | -27 | 42 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | |||
| 4184 | 5144 | 38 | None | -27 | 42 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | |||
| CHEMBL6437 | 5144 | 38 | None | -27 | 42 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | |||
| DB06148 | 5144 | 38 | None | -27 | 42 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | |||
| 155528419 | 335868 | 0 | None | 1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 380 | 6 | 0 | 4 | 4.0 | COc1ccc(CCOC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1 | 10.1016/j.bmcl.2018.12.022 | |||
| CHEMBL4461216 | 335868 | 0 | None | 1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 380 | 6 | 0 | 4 | 4.0 | COc1ccc(CCOC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1 | 10.1016/j.bmcl.2018.12.022 | |||
| 71575122 | 177092 | 0 | None | 6 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 377 | 6 | 0 | 4 | 3.9 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc3c(c2)CCO3)C1 | 10.1021/jm301774u | |||
| CHEMBL2312376 | 177092 | 0 | None | 6 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 377 | 6 | 0 | 4 | 3.9 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc3c(c2)CCO3)C1 | 10.1021/jm301774u | |||
| 156014450 | 352166 | 0 | None | -1288 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 518 | 9 | 2 | 6 | 3.4 | NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02172 | |||
| CHEMBL4650652 | 352166 | 0 | None | -1288 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 518 | 9 | 2 | 6 | 3.4 | NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02172 | |||
| 11759379 | 239406 | 0 | None | -2 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 332 | 5 | 0 | 2 | 5.1 | CC(C1=C(CCN2CCCCC2)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | |||
| CHEMBL355392 | 239406 | 0 | None | -2 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 332 | 5 | 0 | 2 | 5.1 | CC(C1=C(CCN2CCCCC2)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | |||
| 44450621 | 196190 | 0 | None | -6 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 202 | 1 | 0 | 2 | 1.7 | C[C@@H]1O[C@H]([C@@H]2CCC[N+]2(C)C)CS1 | 10.1016/j.bmc.2007.12.036 | |||
| CHEMBL258906 | 196190 | 0 | None | -6 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 202 | 1 | 0 | 2 | 1.7 | C[C@@H]1O[C@H]([C@@H]2CCC[N+]2(C)C)CS1 | 10.1016/j.bmc.2007.12.036 | |||
| 44448498 | 26608 | 0 | None | -1 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 534 | 12 | 2 | 4 | 6.0 | OC(CCCN1CCN(CCCC(O)(c2ccccc2)c2ccccc2)CC1)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2008.03.061 | |||
| CHEMBL1185287 | 26608 | 0 | None | -1 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 534 | 12 | 2 | 4 | 6.0 | OC(CCCN1CCN(CCCC(O)(c2ccccc2)c2ccccc2)CC1)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2008.03.061 | |||
| 24894635 | 327814 | 0 | None | -1 | 5 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 166 | 1 | 0 | 1 | 2.2 | C[N+]1(C)CCC[C@@H]1c1ccco1 | 10.1021/jm800145d | |||
| CHEMBL443939 | 327814 | 0 | None | -1 | 5 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 166 | 1 | 0 | 1 | 2.2 | C[N+]1(C)CCC[C@@H]1c1ccco1 | 10.1021/jm800145d | |||
| 1738 | 66130 | 28 | None | -28 | 10 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | nan | |||
| 4098 | 66130 | 28 | None | -28 | 10 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | nan | |||
| 8667 | 66130 | 28 | None | -28 | 10 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | nan | |||
| CHEMBL1411979 | 66130 | 28 | None | -28 | 10 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | nan | |||
| DB04819 | 66130 | 28 | None | -28 | 10 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | nan | |||
| 71575650 | 177076 | 0 | None | 3 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 395 | 6 | 0 | 4 | 4.0 | CCN1CCC(c2ccc(F)cc2)=C(C(=O)OCCc2ccc3c(c2)CCO3)C1 | 10.1021/jm301774u | |||
| CHEMBL2312350 | 177076 | 0 | None | 3 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 395 | 6 | 0 | 4 | 4.0 | CCN1CCC(c2ccc(F)cc2)=C(C(=O)OCCc2ccc3c(c2)CCO3)C1 | 10.1021/jm301774u | |||
| 155543944 | 350303 | 0 | None | -676 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 873 | 21 | 6 | 10 | 2.3 | CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
| CHEMBL4595467 | 350303 | 0 | None | -676 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 873 | 21 | 6 | 10 | 2.3 | CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
| 155548586 | 350560 | 0 | None | -446 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 562 | 12 | 6 | 6 | 2.5 | N=C(N)NCCC[C@H](N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
| CHEMBL4597611 | 350560 | 0 | None | -446 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 562 | 12 | 6 | 6 | 2.5 | N=C(N)NCCC[C@H](N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
| 10160219 | 19269 | 0 | None | -2398 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 436 | 5 | 1 | 5 | 5.5 | CCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(SC)ccc2C1O3 | 10.1021/jm011116o | |||
| CHEMBL104693 | 19269 | 0 | None | -2398 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 436 | 5 | 1 | 5 | 5.5 | CCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(SC)ccc2C1O3 | 10.1021/jm011116o | |||
| 137640511 | 312976 | 0 | None | -93 | 8 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 286 | 4 | 0 | 2 | 3.1 | CC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/acs.jmedchem.8b00265 | |||
| CHEMBL4074104 | 312976 | 0 | None | -93 | 8 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 286 | 4 | 0 | 2 | 3.1 | CC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/acs.jmedchem.8b00265 | |||
| 2800 | 159972 | 9 | None | -2 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 306 | 9 | 0 | 2 | 3.8 | CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1 | nan | |||
| 5648 | 159972 | 9 | None | -2 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 306 | 9 | 0 | 2 | 3.8 | CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1 | nan | |||
| CHEMBL2111176 | 159972 | 9 | None | -2 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 306 | 9 | 0 | 2 | 3.8 | CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1 | nan | |||
| DB13497 | 159972 | 9 | None | -2 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 306 | 9 | 0 | 2 | 3.8 | CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1 | nan | |||
| 155524809 | 335517 | 0 | None | 1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 394 | 5 | 0 | 5 | 3.7 | O=C(OCCc1ccc2c(c1)OCO2)N(c1ccccc1)C1CN2CCC1CC2 | 10.1016/j.bmcl.2018.12.022 | |||
| CHEMBL4456047 | 335517 | 0 | None | 1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 394 | 5 | 0 | 5 | 3.7 | O=C(OCCc1ccc2c(c1)OCO2)N(c1ccccc1)C1CN2CCC1CC2 | 10.1016/j.bmcl.2018.12.022 | |||
| 155553089 | 348169 | 0 | None | 1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 394 | 6 | 0 | 4 | 4.5 | COc1ccc(CCN(C(=O)OC2C[C@H]3CC[C@H](C2)N3C)c2ccccc2)cc1 | 10.1016/j.bmcl.2018.12.022 | |||
| CHEMBL4545030 | 348169 | 0 | None | 1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 394 | 6 | 0 | 4 | 4.5 | COc1ccc(CCN(C(=O)OC2C[C@H]3CC[C@H](C2)N3C)c2ccccc2)cc1 | 10.1016/j.bmcl.2018.12.022 | |||
| 71575654 | 177079 | 0 | None | 3 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 393 | 6 | 0 | 5 | 3.5 | COc1ccccc1C1=C(C(=O)OCCc2ccc3c(c2)CCO3)CN(C)CC1 | 10.1021/jm301774u | |||
| CHEMBL2312354 | 177079 | 0 | None | 3 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 393 | 6 | 0 | 5 | 3.5 | COc1ccccc1C1=C(C(=O)OCCc2ccc3c(c2)CCO3)CN(C)CC1 | 10.1021/jm301774u | |||
| 73352415 | 183346 | 0 | None | -1 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 293 | 4 | 0 | 2 | 2.5 | CN(CCc1ccccc1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21 | 10.1016/j.bmc.2013.07.045 | |||
| CHEMBL2432044 | 183346 | 0 | None | -1 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 293 | 4 | 0 | 2 | 2.5 | CN(CCc1ccccc1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21 | 10.1016/j.bmc.2013.07.045 | |||
| 3191 | 202914 | 68 | None | -7 | 25 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | |||
| 977 | 202914 | 68 | None | -7 | 25 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | |||
| CHEMBL305660 | 202914 | 68 | None | -7 | 25 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | |||
| DB11742 | 202914 | 68 | None | -7 | 25 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | |||
| 145960592 | 316905 | 0 | None | -5 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 393 | 4 | 0 | 5 | 3.0 | O=C(O[C@H]1CN2CCC1CC2)[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | |||
| 145961125 | 316905 | 0 | None | -5 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 393 | 4 | 0 | 5 | 3.0 | O=C(O[C@H]1CN2CCC1CC2)[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | |||
| CHEMBL4126071 | 316905 | 0 | None | -5 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 393 | 4 | 0 | 5 | 3.0 | O=C(O[C@H]1CN2CCC1CC2)[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | |||
| CHEMBL4128667 | 316905 | 0 | None | -5 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 393 | 4 | 0 | 5 | 3.0 | O=C(O[C@H]1CN2CCC1CC2)[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | |||
| 44450620 | 196189 | 0 | None | -4 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 202 | 1 | 0 | 2 | 1.7 | C[C@@H]1O[C@H]([C@H]2CCC[N+]2(C)C)CS1 | 10.1016/j.bmc.2007.12.036 | |||
| CHEMBL258905 | 196189 | 0 | None | -4 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 202 | 1 | 0 | 2 | 1.7 | C[C@@H]1O[C@H]([C@H]2CCC[N+]2(C)C)CS1 | 10.1016/j.bmc.2007.12.036 | |||
| 71575220 | 177095 | 0 | None | 4 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 383 | 7 | 0 | 4 | 4.1 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(OC)c(F)c2)C1 | 10.1021/jm301774u | |||
| CHEMBL2312379 | 177095 | 0 | None | 4 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 383 | 7 | 0 | 4 | 4.1 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(OC)c(F)c2)C1 | 10.1021/jm301774u | |||
| 132060776 | 317895 | 0 | None | -8 | 16 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 419 | 4 | 0 | 4 | 4.4 | O=C(OCc1ccccc1)N1CCc2ccc(N3CCN(C4CCCC4)CC3)cc2C1 | 10.1016/j.ejmech.2018.02.024 | |||
| CHEMBL4165863 | 317895 | 0 | None | -8 | 16 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 419 | 4 | 0 | 4 | 4.4 | O=C(OCc1ccccc1)N1CCc2ccc(N3CCN(C4CCCC4)CC3)cc2C1 | 10.1016/j.ejmech.2018.02.024 | |||
| 260 | 8417 | 32 | None | -17 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 284 | 2 | 1 | 3 | 3.0 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)c1c[nH]c2c1cccc2 | nan | |||
| 2775 | 8417 | 32 | None | -17 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 284 | 2 | 1 | 3 | 3.0 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)c1c[nH]c2c1cccc2 | nan | |||
| 656665 | 8417 | 32 | None | -17 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 284 | 2 | 1 | 3 | 3.0 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)c1c[nH]c2c1cccc2 | nan | |||
| CHEMBL56564 | 8417 | 32 | None | -17 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 284 | 2 | 1 | 3 | 3.0 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)c1c[nH]c2c1cccc2 | nan | |||
| DB11699 | 8417 | 32 | None | -17 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 284 | 2 | 1 | 3 | 3.0 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)c1c[nH]c2c1cccc2 | nan | |||
| 44593619 | 370697 | 0 | None | -2 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 3.7 | CN1CCC[C@H]1[C@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | |||
| CHEMBL493980 | 370697 | 0 | None | -2 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 3.7 | CN1CCC[C@H]1[C@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | |||
| 16086066 | 276560 | 0 | None | -6456 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 710 | 9 | 3 | 5 | 5.4 | O=C(NCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 | 10.1021/jm051205r | |||
| CHEMBL378872 | 276560 | 0 | None | -6456 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 710 | 9 | 3 | 5 | 5.4 | O=C(NCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 | 10.1021/jm051205r | |||
| 44418764 | 163587 | 0 | None | -10 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 487 | 16 | 0 | 13 | 1.8 | COc1nsc(OCCOCCOCCOCCOc2nsnc2C2C=CCCN2C)n1 | 10.1021/jm0606995 | |||
| CHEMBL216928 | 163587 | 0 | None | -10 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 487 | 16 | 0 | 13 | 1.8 | COc1nsc(OCCOCCOCCOCCOc2nsnc2C2C=CCCN2C)n1 | 10.1021/jm0606995 | |||
| 16094793 | 164733 | 0 | None | -3 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 467 | 16 | 0 | 12 | 3.1 | COc1nsc(OCCCOCCCOCCCOc2nsnc2-c2cccnc2)n1 | 10.1021/jm0606995 | |||
| CHEMBL219118 | 164733 | 0 | None | -3 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 467 | 16 | 0 | 12 | 3.1 | COc1nsc(OCCCOCCCOCCCOc2nsnc2-c2cccnc2)n1 | 10.1021/jm0606995 | |||
| 16094783 | 273997 | 0 | None | -6 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 399 | 10 | 0 | 11 | 1.6 | COc1nsnc1OCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | |||
| CHEMBL373888 | 273997 | 0 | None | -6 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 399 | 10 | 0 | 11 | 1.6 | COc1nsnc1OCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | |||
| 11015312 | 19611 | 0 | None | -37 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 420 | 5 | 1 | 5 | 4.9 | CCCCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | |||
| CHEMBL106505 | 19611 | 0 | None | -37 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 420 | 5 | 1 | 5 | 4.9 | CCCCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | |||
| 11048067 | 19911 | 0 | None | -22 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 420 | 4 | 0 | 6 | 4.6 | CCOC(=O)c1c(C)n(CC)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | |||
| CHEMBL107679 | 19911 | 0 | None | -22 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 420 | 4 | 0 | 6 | 4.6 | CCOC(=O)c1c(C)n(CC)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | |||
| 58459 | 393587 | 14 | None | -2 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 310 | 3 | 0 | 3 | 4.1 | CN1CCC(OC(=O)N(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.ejmech.2023.115891 | |||
| CHEMBL5639592 | 393587 | 14 | None | -2 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 310 | 3 | 0 | 3 | 4.1 | CN1CCC(OC(=O)N(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.ejmech.2023.115891 | |||
| 44448380 | 26189 | 0 | None | -9 | 5 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 436 | 7 | 1 | 1 | 5.0 | C[N+]1(C)CCC(C2CC[N+](C)(CCCC(O)(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.03.061 | |||
| CHEMBL1182644 | 26189 | 0 | None | -9 | 5 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 436 | 7 | 1 | 1 | 5.0 | C[N+]1(C)CCC(C2CC[N+](C)(CCCC(O)(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.03.061 | |||
| 132060770 | 318124 | 0 | None | -41 | 10 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 451 | 7 | 0 | 6 | 3.5 | CCOC(=O)CCN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)CC3)CC1 | 10.1016/j.ejmech.2018.02.024 | |||
| CHEMBL4169689 | 318124 | 0 | None | -41 | 10 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 451 | 7 | 0 | 6 | 3.5 | CCOC(=O)CCN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)CC3)CC1 | 10.1016/j.ejmech.2018.02.024 | |||
| CHEMBL6067487 | 479737 | 0 | None | -8 | 8 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | None | None | None | None | nan | |||||
| 155516845 | 334669 | 0 | None | 2 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 364 | 6 | 0 | 3 | 4.4 | O=C(OCCCc1ccccc1)N(c1ccccc1)C1CN2CCC1CC2 | 10.1016/j.bmcl.2018.12.022 | |||
| CHEMBL4443613 | 334669 | 0 | None | 2 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 364 | 6 | 0 | 3 | 4.4 | O=C(OCCCc1ccccc1)N(c1ccccc1)C1CN2CCC1CC2 | 10.1016/j.bmcl.2018.12.022 | |||
| 155524478 | 335489 | 0 | None | -1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 412 | 7 | 0 | 4 | 4.5 | COc1ccc(CCCOC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1F | 10.1016/j.bmcl.2018.12.022 | |||
| CHEMBL4455481 | 335489 | 0 | None | -1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 412 | 7 | 0 | 4 | 4.5 | COc1ccc(CCCOC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1F | 10.1016/j.bmcl.2018.12.022 | |||
| 155562882 | 349248 | 0 | None | 1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 350 | 5 | 0 | 3 | 4.0 | O=C(OCCc1ccccc1)N(c1ccccc1)C1CN2CCC1CC2 | 10.1016/j.bmcl.2018.12.022 | |||
| CHEMBL4571841 | 349248 | 0 | None | 1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 350 | 5 | 0 | 3 | 4.0 | O=C(OCCc1ccccc1)N(c1ccccc1)C1CN2CCC1CC2 | 10.1016/j.bmcl.2018.12.022 | |||
| 71574275 | 177036 | 0 | None | 2 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 381 | 7 | 0 | 5 | 3.6 | COc1ccc(CCOC(=O)C2=C(c3ccccc3)CN(C)CC2)cc1OC | 10.1021/jm301774u | |||
| CHEMBL2311983 | 177036 | 0 | None | 2 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 381 | 7 | 0 | 5 | 3.6 | COc1ccc(CCOC(=O)C2=C(c3ccccc3)CN(C)CC2)cc1OC | 10.1021/jm301774u | |||
| 164613685 | 371693 | 0 | None | -89 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 916 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | |||
| 164620290 | 371693 | 0 | None | -89 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 916 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | |||
| CHEMBL5028207 | 371693 | 0 | None | -89 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 916 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | |||
| CHEMBL5028589 | 371693 | 0 | None | -89 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 916 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | |||
| 156015465 | 352239 | 0 | None | 1 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 344 | 5 | 0 | 3 | 4.0 | C[N+](C)(C)C[C@@H]1COC[C@H](c2ccc(Sc3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | |||
| CHEMBL4651115 | 352239 | 0 | None | 1 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 344 | 5 | 0 | 3 | 4.0 | C[N+](C)(C)C[C@@H]1COC[C@H](c2ccc(Sc3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | |||
| 57326140 | 158818 | 0 | None | -4 | 5 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 188 | 3 | 0 | 2 | 0.9 | CC[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1021/jm2013216 | |||
| CHEMBL2078962 | 158818 | 0 | None | -4 | 5 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 188 | 3 | 0 | 2 | 0.9 | CC[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1021/jm2013216 | |||
| 4033 | 3883 | 45 | None | -7762 | 14 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 481 | 7 | 0 | 7 | 5.3 | COc1cc(ccc1OCCN1CCCC1)n1cnc2c(c1=O)sc(c2)c1ccc(cc1)Cl | 10.6019/CHEMBL5442175 | |||
| 9826520 | 3883 | 45 | None | -7762 | 14 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 481 | 7 | 0 | 7 | 5.3 | COc1cc(ccc1OCCN1CCCC1)n1cnc2c(c1=O)sc(c2)c1ccc(cc1)Cl | 10.6019/CHEMBL5442175 | |||
| CHEMBL214957 | 3883 | 45 | None | -7762 | 14 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 481 | 7 | 0 | 7 | 5.3 | COc1cc(ccc1OCCN1CCCC1)n1cnc2c(c1=O)sc(c2)c1ccc(cc1)Cl | 10.6019/CHEMBL5442175 | |||
| 66561966 | 156372 | 0 | None | 1 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 193 | 2 | 0 | 1 | 3.2 | C1CCC(CN2C3CCC2CC3)CC1 | 10.1016/j.bmcl.2012.04.077 | |||
| CHEMBL2030625 | 156372 | 0 | None | 1 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 193 | 2 | 0 | 1 | 3.2 | C1CCC(CN2C3CCC2CC3)CC1 | 10.1016/j.bmcl.2012.04.077 | |||
| 71575653 | 177078 | 0 | None | -1 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 393 | 6 | 0 | 5 | 3.5 | COc1cccc(C2=C(C(=O)OCCc3ccc4c(c3)CCO4)CN(C)CC2)c1 | 10.1021/jm301774u | |||
| CHEMBL2312353 | 177078 | 0 | None | -1 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 393 | 6 | 0 | 5 | 3.5 | COc1cccc(C2=C(C(=O)OCCc3ccc4c(c3)CCO4)CN(C)CC2)c1 | 10.1021/jm301774u | |||
| 2338 | 461820 | 42 | None | -2 | 13 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | |||
| 237 | 461820 | 42 | None | -2 | 13 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | |||
| CHEMBL7568 | 461820 | 42 | None | -2 | 13 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | |||
| DB01103 | 461820 | 42 | None | -2 | 13 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | |||
| 1530 | 4450 | 49 | None | -66 | 24 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | |||
| 3827 | 4450 | 49 | None | -66 | 24 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | |||
| 7206 | 4450 | 49 | None | -66 | 24 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | |||
| CHEMBL534 | 4450 | 49 | None | -66 | 24 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | |||
| DB00920 | 4450 | 49 | None | -66 | 24 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | |||
| 199798 | 156375 | 3 | None | -3 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 167 | 2 | 0 | 1 | 2.7 | C1CCC(CN2CCCC2)CC1 | 10.1016/j.bmcl.2012.04.077 | |||
| CHEMBL2030634 | 156375 | 3 | None | -3 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 167 | 2 | 0 | 1 | 2.7 | C1CCC(CN2CCCC2)CC1 | 10.1016/j.bmcl.2012.04.077 | |||
| 10104 | 7246 | 46 | None | -91 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 292 | 5 | 0 | 2 | 4.1 | CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C | 10.1021/jm020895l | |||
| 12963076 | 7246 | 46 | None | -91 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 292 | 5 | 0 | 2 | 4.1 | CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C | 10.1021/jm020895l | |||
| 21855 | 7246 | 46 | None | -91 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 292 | 5 | 0 | 2 | 4.1 | CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C | 10.1021/jm020895l | |||
| 6604866 | 7246 | 46 | None | -91 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 292 | 5 | 0 | 2 | 4.1 | CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C | 10.1021/jm020895l | |||
| 903 | 7246 | 46 | None | -91 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 292 | 5 | 0 | 2 | 4.1 | CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C | 10.1021/jm020895l | |||
| CHEMBL1493369 | 7246 | 46 | None | -91 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 292 | 5 | 0 | 2 | 4.1 | CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C | 10.1021/jm020895l | |||
| CHEMBL22108 | 7246 | 46 | None | -91 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 292 | 5 | 0 | 2 | 4.1 | CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C | 10.1021/jm020895l | |||
| CHEMBL564226 | 7246 | 46 | None | -91 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 292 | 5 | 0 | 2 | 4.1 | CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C | 10.1021/jm020895l | |||
| DB08801 | 7246 | 46 | None | -91 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 292 | 5 | 0 | 2 | 4.1 | CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C | 10.1021/jm020895l | |||
| 10969696 | 259986 | 0 | None | -1 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 334 | 5 | 0 | 3 | 3.9 | CC(C1=C(CCN2CCOCC2)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | |||
| CHEMBL369575 | 259986 | 0 | None | -1 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 334 | 5 | 0 | 3 | 3.9 | CC(C1=C(CCN2CCOCC2)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | |||
| 44274468 | 162060 | 0 | None | -1 | 5 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 276 | 4 | 0 | 2 | 4.0 | CN(C)CCC1=C/C(=C\c2cccnc2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | |||
| CHEMBL21508 | 162060 | 0 | None | -1 | 5 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 276 | 4 | 0 | 2 | 4.0 | CN(C)CCC1=C/C(=C\c2cccnc2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | |||
| 639794 | 199015 | 0 | None | -2 | 5 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 320 | 5 | 0 | 4 | 3.1 | CN(C)CCOC(=O)C1=C/C(=C\c2ccncc2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | |||
| CHEMBL278129 | 199015 | 0 | None | -2 | 5 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 320 | 5 | 0 | 4 | 3.1 | CN(C)CCOC(=O)C1=C/C(=C\c2ccncc2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | |||
| 26987 | 1955 | 32 | None | -39 | 21 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41586-020-2286-9 | |||
| 6063 | 1955 | 32 | None | -39 | 21 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41586-020-2286-9 | |||
| 671 | 1955 | 32 | None | -39 | 21 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41586-020-2286-9 | |||
| CHEMBL1626 | 1955 | 32 | None | -39 | 21 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41586-020-2286-9 | |||
| DB00283 | 1955 | 32 | None | -39 | 21 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41586-020-2286-9 | |||
| 44627854 | 404290 | 0 | None | -1 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.9 | CN1CCC[C@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | |||
| CHEMBL571341 | 404290 | 0 | None | -1 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.9 | CN1CCC[C@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | |||
| 71806339 | 348077 | 10 | None | None | None | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 331 | 2 | 0 | 6 | 1.3 | Cc1nn(C)c(C)c1S(=O)(=O)N1CCC2(CC1)OCCS2 | 10.1016/j.bmcl.2016.07.071 | |||
| CHEMBL4542697 | 348077 | 10 | None | None | None | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 331 | 2 | 0 | 6 | 1.3 | Cc1nn(C)c(C)c1S(=O)(=O)N1CCC2(CC1)OCCS2 | 10.1016/j.bmcl.2016.07.071 | |||
| 16086067 | 162753 | 0 | None | -1698 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 710 | 9 | 3 | 5 | 5.4 | O=C(NC[C@@H]1CCCNC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 | 10.1021/jm051205r | |||
| CHEMBL215894 | 162753 | 0 | None | -1698 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 710 | 9 | 3 | 5 | 5.4 | O=C(NC[C@@H]1CCCNC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 | 10.1021/jm051205r | |||
| 44593618 | 370696 | 0 | None | -6 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 3.7 | CN1CCC[C@@H]1[C@@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | |||
| CHEMBL493979 | 370696 | 0 | None | -6 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 3.7 | CN1CCC[C@@H]1[C@@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | |||
| 162677513 | 367077 | 0 | None | -162 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 983 | 17 | 3 | 11 | 6.2 | CN(C)c1ccc2c(-c3ccc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1 | 10.1039/d0md00137f | |||
| CHEMBL4803695 | 367077 | 0 | None | -162 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 983 | 17 | 3 | 11 | 6.2 | CN(C)c1ccc2c(-c3ccc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1 | 10.1039/d0md00137f | |||
| 14925759 | 313920 | 6 | None | -9549 | 13 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 349 | 5 | 0 | 3 | 3.2 | O=C1CCc2ccccc2N1CCCN1CCN(c2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | |||
| CHEMBL4085780 | 313920 | 6 | None | -9549 | 13 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 349 | 5 | 0 | 3 | 3.2 | O=C1CCc2ccccc2N1CCCN1CCN(c2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | |||
| 1353 | 3909 | 69 | None | -74 | 49 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | |||
| 3559 | 3909 | 69 | None | -74 | 49 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | |||
| 86 | 3909 | 69 | None | -74 | 49 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | |||
| CHEMBL54 | 3909 | 69 | None | -74 | 49 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | |||
| DB00502 | 3909 | 69 | None | -74 | 49 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | |||
| 1688 | 296777 | 35 | None | -2 | 16 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | nan | |||
| 6075 | 296777 | 35 | None | -2 | 16 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | nan | |||
| CHEMBL395110 | 296777 | 35 | None | -2 | 16 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | nan | |||
| 71575549 | 177086 | 0 | None | 3 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 335 | 5 | 0 | 3 | 3.9 | Cc1cccc(CCOC(=O)C2=C(c3ccccc3)CCN(C)C2)c1 | 10.1021/jm301774u | |||
| CHEMBL2312369 | 177086 | 0 | None | 3 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 335 | 5 | 0 | 3 | 3.9 | Cc1cccc(CCOC(=O)C2=C(c3ccccc3)CCN(C)C2)c1 | 10.1021/jm301774u | |||
| 71575123 | 177093 | 0 | None | -1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 379 | 6 | 0 | 5 | 3.7 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc3c(c2)OCO3)C1 | 10.1021/jm301774u | |||
| CHEMBL2312377 | 177093 | 0 | None | -1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 379 | 6 | 0 | 5 | 3.7 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc3c(c2)OCO3)C1 | 10.1021/jm301774u | |||
| 16086061 | 161675 | 0 | None | -3090 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 690 | 10 | 2 | 5 | 4.6 | CCN1CCC(CNC(=O)[C@H]2CCCN2C(=O)[C@@H]2C[C@@H](O)CN2C(=O)CC(c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1021/jm051205r | |||
| CHEMBL213709 | 161675 | 0 | None | -3090 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 690 | 10 | 2 | 5 | 4.6 | CCN1CCC(CNC(=O)[C@H]2CCCN2C(=O)[C@@H]2C[C@@H](O)CN2C(=O)CC(c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1021/jm051205r | |||
| 122442272 | 275722 | 0 | None | -100 | 15 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | |||
| CHEMBL3771384 | 275722 | 0 | None | -100 | 15 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | |||
| 9817231 | 314114 | 23 | None | -3 | 7 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 282 | 4 | 0 | 3 | 4.1 | CCCN1CCC=C(c2cc(-c3ccc(C)cc3)no2)C1 | 10.1038/s41586-020-2286-9 | |||
| CHEMBL4088272 | 314114 | 23 | None | -3 | 7 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 282 | 4 | 0 | 3 | 4.1 | CCCN1CCC=C(c2cc(-c3ccc(C)cc3)no2)C1 | 10.1038/s41586-020-2286-9 | |||
| 46227457 | 38054 | 0 | None | -1 | 5 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 188 | 2 | 0 | 2 | 0.9 | CC1(C)COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmc.2009.10.027 | |||
| CHEMBL1198075 | 38054 | 0 | None | -1 | 5 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 188 | 2 | 0 | 2 | 0.9 | CC1(C)COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmc.2009.10.027 | |||
| 122442272 | 275722 | 0 | None | -100 | 15 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | |||
| CHEMBL3771384 | 275722 | 0 | None | -100 | 15 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | |||
| 156009698 | 352251 | 0 | None | -5 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 872 | 16 | 2 | 5 | 11.0 | C[N+]1=C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | |||
| CHEMBL4651200 | 352251 | 0 | None | -5 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 872 | 16 | 2 | 5 | 11.0 | C[N+]1=C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | |||
| 44593620 | 371158 | 0 | None | -1 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 3.7 | CN1CCC[C@@H]1[C@@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | |||
| CHEMBL496915 | 371158 | 0 | None | -1 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 3.7 | CN1CCC[C@@H]1[C@@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | |||
| 44448385 | 26184 | 0 | None | -2 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 406 | 7 | 1 | 3 | 4.8 | CN1CCC(C2CCN(CCCC(O)(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.03.061 | |||
| CHEMBL1182633 | 26184 | 0 | None | -2 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 406 | 7 | 1 | 3 | 4.8 | CN1CCC(C2CCN(CCCC(O)(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.03.061 | |||
| 135398745 | 5933 | 69 | None | -5 | 45 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | |||
| 1982 | 5933 | 69 | None | -5 | 45 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | |||
| 4585 | 5933 | 69 | None | -5 | 45 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | |||
| 47 | 5933 | 69 | None | -5 | 45 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | |||
| CHEMBL715 | 5933 | 69 | None | -5 | 45 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | |||
| DB00334 | 5933 | 69 | None | -5 | 45 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | |||
| 155539713 | 350329 | 0 | None | -257 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 923 | 22 | 7 | 11 | 3.1 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
| CHEMBL4595691 | 350329 | 0 | None | -257 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 923 | 22 | 7 | 11 | 3.1 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
| 71575029 | 177103 | 0 | None | -1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 4.3 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccccc2C)C1 | 10.1021/jm301774u | |||
| CHEMBL2312391 | 177103 | 0 | None | -1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 4.3 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccccc2C)C1 | 10.1021/jm301774u | |||
| 73346336 | 183353 | 0 | None | -5 | 6 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 325 | 5 | 0 | 2 | 3.0 | CN(CCCc1cccc(F)c1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21 | 10.1016/j.bmc.2013.07.045 | |||
| CHEMBL2432054 | 183353 | 0 | None | -5 | 6 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 325 | 5 | 0 | 2 | 3.0 | CN(CCCc1cccc(F)c1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21 | 10.1016/j.bmc.2013.07.045 | |||
| 9901086 | 370865 | 25 | None | -97 | 15 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 304 | 4 | 1 | 5 | 2.1 | Clc1cccc(COc2cncc(N3CCNCC3)n2)c1 | 10.6019/CHEMBL5442175 | |||
| CHEMBL494947 | 370865 | 25 | None | -97 | 15 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 304 | 4 | 1 | 5 | 2.1 | Clc1cccc(COc2cncc(N3CCNCC3)n2)c1 | 10.6019/CHEMBL5442175 | |||
| 155560305 | 350222 | 0 | None | -1230 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 801 | 19 | 5 | 9 | 2.8 | CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
| CHEMBL4594890 | 350222 | 0 | None | -1230 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 801 | 19 | 5 | 9 | 2.8 | CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
| 155566290 | 350543 | 0 | None | -4365 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 916 | 24 | 9 | 11 | 1.4 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
| CHEMBL4597498 | 350543 | 0 | None | -4365 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 916 | 24 | 9 | 11 | 1.4 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
| 156011605 | 352198 | 0 | None | -1 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 3.4 | C[N+](C)(C)C[C@@H]1CO[C@H](c2ccc(Cc3ccccc3)cc2)CO1 | 10.1021/acs.jmedchem.9b02100 | |||
| CHEMBL4650888 | 352198 | 0 | None | -1 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 3.4 | C[N+](C)(C)C[C@@H]1CO[C@H](c2ccc(Cc3ccccc3)cc2)CO1 | 10.1021/acs.jmedchem.9b02100 | |||
| 73352414 | 183340 | 0 | None | -4 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 257 | 3 | 1 | 1 | 3.3 | C1CCC(CN[C@H]2C3C4CC5C6C4CC3C6C52)CC1 | 10.1016/j.bmc.2013.07.045 | |||
| CHEMBL2432038 | 183340 | 0 | None | -4 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 257 | 3 | 1 | 1 | 3.3 | C1CCC(CN[C@H]2C3C4CC5C6C4CC3C6C52)CC1 | 10.1016/j.bmc.2013.07.045 | |||
| 154417 | 57629 | 58 | None | -1 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2 | 10.1021/jm500790x | |||
| 174174 | 57629 | 58 | None | -1 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2 | 10.1021/jm500790x | |||
| 637577 | 57629 | 58 | None | -1 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2 | 10.1021/jm500790x | |||
| CHEMBL1379091 | 57629 | 58 | None | -1 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2 | 10.1021/jm500790x | |||
| CHEMBL2449003 | 57629 | 58 | None | -1 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2 | 10.1021/jm500790x | |||
| CHEMBL254656 | 57629 | 58 | None | -1 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2 | 10.1021/jm500790x | |||
| 44593625 | 371350 | 0 | None | -1 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | |||
| CHEMBL498358 | 371350 | 0 | None | -1 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | |||
| 16115943 | 26121 | 0 | None | -3 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 346 | 3 | 0 | 2 | 4.8 | C[N+]1(C)CCC[C@@H]1[C@@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | |||
| CHEMBL1182205 | 26121 | 0 | None | -3 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 346 | 3 | 0 | 2 | 4.8 | C[N+]1(C)CCC[C@@H]1[C@@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | |||
| 16115796 | 274625 | 0 | None | -4 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 325 | 3 | 0 | 3 | 4.1 | CN1CCC[C@@H]1[C@@H]1CSC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm061374r | |||
| CHEMBL375073 | 274625 | 0 | None | -4 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 325 | 3 | 0 | 3 | 4.1 | CN1CCC[C@@H]1[C@@H]1CSC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm061374r | |||
| 2286 | 6468 | 43 | None | -5 | 24 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | |||
| 4927 | 6468 | 43 | None | -5 | 24 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | |||
| 7282 | 6468 | 43 | None | -5 | 24 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | |||
| CHEMBL643 | 6468 | 43 | None | -5 | 24 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | |||
| DB01069 | 6468 | 43 | None | -5 | 24 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | |||
| 44627853 | 404289 | 0 | None | -2 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.9 | CN1CCC[C@@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | |||
| CHEMBL571121 | 404289 | 0 | None | -2 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.9 | CN1CCC[C@@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | |||
| 16115801 | 26565 | 0 | None | -1 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 340 | 3 | 0 | 2 | 4.3 | C[N+]1(C)CCC[C@@H]1[C@@H]1CSC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm061374r | |||
| CHEMBL1184882 | 26565 | 0 | None | -1 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 340 | 3 | 0 | 2 | 4.3 | C[N+]1(C)CCC[C@@H]1[C@@H]1CSC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm061374r | |||
| 2705 | 8363 | 46 | None | 1 | 11 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.6019/CHEMBL5442175 | |||
| 360 | 8363 | 46 | None | 1 | 11 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.6019/CHEMBL5442175 | |||
| 443879 | 8363 | 46 | None | 1 | 11 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.6019/CHEMBL5442175 | |||
| CHEMBL1382 | 8363 | 46 | None | 1 | 11 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.6019/CHEMBL5442175 | |||
| DB01036 | 8363 | 46 | None | 1 | 11 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.6019/CHEMBL5442175 | |||
| 75167447 | 352201 | 0 | None | -7 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 318 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)CC1COCC(c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | |||
| CHEMBL4650933 | 352201 | 0 | None | -7 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 318 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)CC1COCC(c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | |||
| 9936450 | 78636 | 0 | None | -5 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 518 | 14 | 0 | 10 | 5.0 | CN1CCC=C(c2nsnc2OCCCCCCCCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm501173q | |||
| CHEMBL143469 | 78636 | 0 | None | -5 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 518 | 14 | 0 | 10 | 5.0 | CN1CCC=C(c2nsnc2OCCCCCCCCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm501173q | |||
| 11828362 | 160415 | 0 | None | -39 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 636 | 15 | 3 | 4 | 5.8 | O=C(CCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCC(=O)NC[C@H]1CCCN(CC2CCCCC2)C1 | 10.1021/jm010480k | |||
| CHEMBL2112959 | 160415 | 0 | None | -39 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 636 | 15 | 3 | 4 | 5.8 | O=C(CCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCC(=O)NC[C@H]1CCCN(CC2CCCCC2)C1 | 10.1021/jm010480k | |||
| 155529196 | 335948 | 0 | None | -1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 368 | 4 | 0 | 3 | 4.4 | Cc1ccc(COC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1F | 10.1016/j.bmcl.2018.12.022 | |||
| CHEMBL4462631 | 335948 | 0 | None | -1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 368 | 4 | 0 | 3 | 4.4 | Cc1ccc(COC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1F | 10.1016/j.bmcl.2018.12.022 | |||
| 71575337 | 177080 | 0 | None | -1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 351 | 6 | 0 | 4 | 3.6 | COc1ccc(CCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1 | 10.1021/jm301774u | |||
| CHEMBL2312358 | 177080 | 0 | None | -1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 351 | 6 | 0 | 4 | 3.6 | COc1ccc(CCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1 | 10.1021/jm301774u | |||
| 44593623 | 371103 | 0 | None | -2 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 356 | 3 | 0 | 2 | 3.3 | C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | |||
| CHEMBL496503 | 371103 | 0 | None | -2 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 356 | 3 | 0 | 2 | 3.3 | C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | |||
| 44593620 | 371158 | 0 | None | -1 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 3.7 | CN1CCC[C@@H]1[C@@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | |||
| CHEMBL496915 | 371158 | 0 | None | -1 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 3.7 | CN1CCC[C@@H]1[C@@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | |||
| 155567380 | 350376 | 0 | None | -389 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 981 | 20 | 7 | 10 | 4.7 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
| CHEMBL4596064 | 350376 | 0 | None | -389 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 981 | 20 | 7 | 10 | 4.7 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
| 156015900 | 352236 | 0 | None | -120 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 1687 | 34 | 6 | 18 | 11.6 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCN4CCC(N5CCC(n6c(=O)[nH]c7ccccc76)CC5)CC4)cc(C(=O)NCCN4CCN(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)CC4)c3)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)=[N+](CCCCS(=O)(=O)O)c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | |||
| CHEMBL4651104 | 352236 | 0 | None | -120 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 1687 | 34 | 6 | 18 | 11.6 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCN4CCC(N5CCC(n6c(=O)[nH]c7ccccc76)CC5)CC4)cc(C(=O)NCCN4CCN(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)CC4)c3)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)=[N+](CCCCS(=O)(=O)O)c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | |||
| 118719924 | 234713 | 0 | None | -2 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 649 | 20 | 0 | 7 | 8.4 | CN1CCC=C(c2nsnc2OCCCCCCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | |||
| CHEMBL3354071 | 234713 | 0 | None | -2 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 649 | 20 | 0 | 7 | 8.4 | CN1CCC=C(c2nsnc2OCCCCCCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | |||
| CHEMBL69452 | 468936 | 0 | None | -2 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 331 | 6 | 1 | 5 | 2.7 | CCO/C(O)=C1\CN2CC(CCC2COCc2ccccc2)C1=O | 10.1021/jm020572p | |||
| 156015719 | 352173 | 0 | None | -6 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1CO[C@H](c2ccccc2)[C@@H](c2ccccc2)O1 | 10.1021/acs.jmedchem.9b02100 | |||
| CHEMBL4650699 | 352173 | 0 | None | -6 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1CO[C@H](c2ccccc2)[C@@H](c2ccccc2)O1 | 10.1021/acs.jmedchem.9b02100 | |||
| 44274441 | 199319 | 0 | None | -4 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 320 | 5 | 0 | 4 | 3.1 | CN(C)CCOC(=O)C1=C/C(=C\c2cccnc2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | |||
| CHEMBL280684 | 199319 | 0 | None | -4 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 320 | 5 | 0 | 4 | 3.1 | CN(C)CCOC(=O)C1=C/C(=C\c2cccnc2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | |||
| 11504244 | 216187 | 0 | None | -199 | 2 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 498 | 13 | 0 | 5 | 3.1 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm500790x | |||
| CHEMBL3140249 | 216187 | 0 | None | -199 | 2 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 498 | 13 | 0 | 5 | 3.1 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm500790x | |||
| 44422697 | 26126 | 0 | None | -5 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@H](C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2007.11.073 | |||
| CHEMBL1182277 | 26126 | 0 | None | -5 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@H](C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2007.11.073 | |||
| 11045444 | 121970 | 0 | None | -1 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 320 | 7 | 0 | 2 | 4.9 | CCCC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | |||
| CHEMBL170088 | 121970 | 0 | None | -1 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 320 | 7 | 0 | 2 | 4.9 | CCCC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | |||
| 44593624 | 371349 | 0 | None | -2 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | |||
| CHEMBL498357 | 371349 | 0 | None | -2 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | |||
| 71575649 | 177075 | 0 | None | 1 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 367 | 7 | 0 | 5 | 3.4 | COc1ccc(OCCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1 | 10.1021/jm301774u | |||
| CHEMBL2312349 | 177075 | 0 | None | 1 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 367 | 7 | 0 | 5 | 3.4 | COc1ccc(OCCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1 | 10.1021/jm301774u | |||
| 23642275 | 994 | 31 | None | -173 | 8 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 283 | 2 | 0 | 3 | 3.1 | CN([C@H]1CCc2c(C1)cccc2c1c(C)nn(c1C)C)C | 10.6019/CHEMBL5442175 | |||
| 8433 | 994 | 31 | None | -173 | 8 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 283 | 2 | 0 | 3 | 3.1 | CN([C@H]1CCc2c(C1)cccc2c1c(C)nn(c1C)C)C | 10.6019/CHEMBL5442175 | |||
| CHEMBL2164327 | 994 | 31 | None | -173 | 8 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 283 | 2 | 0 | 3 | 3.1 | CN([C@H]1CCc2c(C1)cccc2c1c(C)nn(c1C)C)C | 10.6019/CHEMBL5442175 | |||
| 9889312 | 155116 | 2 | None | -46 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 437 | 6 | 0 | 5 | 4.4 | COc1ccc([S@@+]([O-])c2ccc(C(C#N)N3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00437-6 | |||
| CHEMBL2111540 | 155116 | 2 | None | -46 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 437 | 6 | 0 | 5 | 4.4 | COc1ccc([S@@+]([O-])c2ccc(C(C#N)N3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00437-6 | |||
| 11011757 | 122004 | 0 | None | -1 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 291 | 5 | 0 | 1 | 4.8 | CC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccc1 | 10.1021/jm020895l | |||
| CHEMBL170221 | 122004 | 0 | None | -1 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 291 | 5 | 0 | 1 | 4.8 | CC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccc1 | 10.1021/jm020895l | |||
| 118719927 | 234716 | 0 | None | -30 | 8 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 386 | 11 | 1 | 3 | 4.4 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCO)CC1 | 10.1021/jm501173q | |||
| CHEMBL3354074 | 234716 | 0 | None | -30 | 8 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 386 | 11 | 1 | 3 | 4.4 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCO)CC1 | 10.1021/jm501173q | |||
| 10862395 | 19365 | 0 | None | -776 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 4.4 | CCOC(=O)c1c(CC)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | |||
| CHEMBL105148 | 19365 | 0 | None | -776 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 4.4 | CCOC(=O)c1c(CC)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | |||
| 10949838 | 19559 | 0 | None | -1023 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 420 | 4 | 0 | 6 | 4.4 | CCOC(=O)c1c(CC)n(C)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | |||
| CHEMBL106218 | 19559 | 0 | None | -1023 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 420 | 4 | 0 | 6 | 4.4 | CCOC(=O)c1c(CC)n(C)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | |||
| 44627748 | 38014 | 0 | None | -2 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 332 | 4 | 0 | 1 | 5.4 | C[N+]1(C)CCCC1c1ccc(C(c2ccccc2)c2ccccc2)o1 | 10.1021/jm901048j | |||
| CHEMBL1197705 | 38014 | 0 | None | -2 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 332 | 4 | 0 | 1 | 5.4 | C[N+]1(C)CCCC1c1ccc(C(c2ccccc2)c2ccccc2)o1 | 10.1021/jm901048j | |||
| 16086062 | 162239 | 0 | None | -5888 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 730 | 11 | 2 | 5 | 5.4 | O=C(NCC1CCN(CC2CCC2)CC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm051205r | |||
| CHEMBL215189 | 162239 | 0 | None | -5888 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 730 | 11 | 2 | 5 | 5.4 | O=C(NCC1CCN(CC2CCC2)CC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm051205r | |||
| 154734599 | 5087 | 6 | None | -28 | 9 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm0155594 | |||
| 327 | 5087 | 6 | None | -28 | 9 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm0155594 | |||
| 4108 | 5087 | 6 | None | -28 | 9 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm0155594 | |||
| CHEMBL27673 | 5087 | 6 | None | -28 | 9 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm0155594 | |||
| 2599 | 116531 | 16 | None | -6 | 17 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OCC3COC(Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | |||
| 5404 | 116531 | 16 | None | -6 | 17 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OCC3COC(Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | |||
| CHEMBL1714574 | 116531 | 16 | None | -6 | 17 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OCC3COC(Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | |||
| 10030021 | 334444 | 16 | None | -39 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 532 | 10 | 1 | 4 | 6.1 | CCCC(C)(C)C(=O)N(CC)CCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
| CHEMBL4440484 | 334444 | 16 | None | -39 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 532 | 10 | 1 | 4 | 6.1 | CCCC(C)(C)C(=O)N(CC)CCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
| 155522355 | 350377 | 0 | None | -281 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 732 | 19 | 8 | 8 | 2.3 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | |||
| CHEMBL4596065 | 350377 | 0 | None | -281 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 732 | 19 | 8 | 8 | 2.3 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | |||
| 301 | 5148 | 16 | None | -3 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 154 | 2 | 0 | 3 | 0.9 | CO/N=C/C1=CCCN(C1)C | 10.1016/j.bmc.2007.12.036 | |||
| 9571002 | 5148 | 16 | None | -3 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 154 | 2 | 0 | 3 | 0.9 | CO/N=C/C1=CCCN(C1)C | 10.1016/j.bmc.2007.12.036 | |||
| CHEMBL151938 | 5148 | 16 | None | -3 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 154 | 2 | 0 | 3 | 0.9 | CO/N=C/C1=CCCN(C1)C | 10.1016/j.bmc.2007.12.036 | |||
| 24894628 | 346776 | 0 | None | -1 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 166 | 1 | 0 | 1 | 2.2 | C[N+]1(C)CCCC1c1ccco1 | 10.1021/jm800145d | |||
| CHEMBL471942 | 346776 | 0 | None | -1 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 166 | 1 | 0 | 1 | 2.2 | C[N+]1(C)CCCC1c1ccco1 | 10.1021/jm800145d | |||
| 57326239 | 158821 | 0 | None | -1 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@@H]1COC[C@@H](C(c2ccccc2)c2ccccc2)O1 | 10.1021/jm2013216 | |||
| CHEMBL2078974 | 158821 | 0 | None | -1 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@@H]1COC[C@@H](C(c2ccccc2)c2ccccc2)O1 | 10.1021/jm2013216 | |||
| 7047822 | 350795 | 15 | None | -1 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 137 | 1 | 1 | 2 | 1.7 | c1coc([C@H]2CCCN2)c1 | 10.1021/jm800145d | |||
| CHEMBL461088 | 350795 | 15 | None | -1 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 137 | 1 | 1 | 2 | 1.7 | c1coc([C@H]2CCCN2)c1 | 10.1021/jm800145d | |||
| 24894633 | 350857 | 0 | None | -1 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 165 | 1 | 0 | 2 | 2.4 | Cc1ccc([C@H]2CCCN2C)o1 | 10.1021/jm800145d | |||
| CHEMBL461709 | 350857 | 0 | None | -1 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 165 | 1 | 0 | 2 | 2.4 | Cc1ccc([C@H]2CCCN2C)o1 | 10.1021/jm800145d | |||
| 16086064 | 161421 | 0 | None | -6165 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 730 | 10 | 2 | 5 | 5.6 | O=C(NCC1CCN(C2CCCC2)CC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm051205r | |||
| CHEMBL212645 | 161421 | 0 | None | -6165 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 730 | 10 | 2 | 5 | 5.6 | O=C(NCC1CCN(C2CCCC2)CC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm051205r | |||
| 2536 | 308773 | 12 | None | -20 | 15 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCNC(C)C(O)c1ccc(SC(C)C)cc1 | nan | |||
| 5354 | 308773 | 12 | None | -20 | 15 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCNC(C)C(O)c1ccc(SC(C)C)cc1 | nan | |||
| CHEMBL404849 | 308773 | 12 | None | -20 | 15 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCNC(C)C(O)c1ccc(SC(C)C)cc1 | nan | |||
| 10957754 | 121828 | 0 | None | -12 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 306 | 6 | 0 | 2 | 4.5 | CC(C1=C(CCCN(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | |||
| CHEMBL169401 | 121828 | 0 | None | -12 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 306 | 6 | 0 | 2 | 4.5 | CC(C1=C(CCCN(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | |||
| 11024241 | 238969 | 0 | None | -3 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 338 | 6 | 0 | 3 | 4.9 | CSc1ccc2c(c1)C(C(C)c1ccccn1)=C(CCN(C)C)C2 | 10.1021/jm020895l | |||
| CHEMBL352723 | 238969 | 0 | None | -3 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 338 | 6 | 0 | 3 | 4.9 | CSc1ccc2c(c1)C(C(C)c1ccccn1)=C(CCN(C)C)C2 | 10.1021/jm020895l | |||
| 156015968 | 352160 | 0 | None | -6 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@@H]1CO[C@H](C(c2ccccc2)c2ccccc2)CO1 | 10.1021/acs.jmedchem.9b02100 | |||
| CHEMBL4650620 | 352160 | 0 | None | -6 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@@H]1CO[C@H](C(c2ccccc2)c2ccccc2)CO1 | 10.1021/acs.jmedchem.9b02100 | |||
| 46227483 | 38045 | 0 | None | -1 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 202 | 2 | 0 | 2 | 1.3 | C[C@H]1OC[C@@H](C[N+](C)(C)C)OC1(C)C | 10.1016/j.bmc.2009.10.027 | |||
| CHEMBL1198039 | 38045 | 0 | None | -1 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 202 | 2 | 0 | 2 | 1.3 | C[C@H]1OC[C@@H](C[N+](C)(C)C)OC1(C)C | 10.1016/j.bmc.2009.10.027 | |||
| 132947 | 8408 | 6 | None | -120 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | 10.1016/s0960-894x(01)00186-x | |||
| 361 | 8408 | 6 | None | -120 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | 10.1016/s0960-894x(01)00186-x | |||
| CHEMBL265256 | 8408 | 6 | None | -120 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | 10.1016/s0960-894x(01)00186-x | |||
| 155519740 | 334960 | 0 | None | -125 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 1125 | 29 | 4 | 14 | 9.6 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CCCCCCNCC(=O)N1c2ncccc2NC(=O)c2cccnc21 | 10.1021/acs.jmedchem.8b01967 | |||
| CHEMBL4448108 | 334960 | 0 | None | -125 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 1125 | 29 | 4 | 14 | 9.6 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CCCCCCNCC(=O)N1c2ncccc2NC(=O)c2cccnc21 | 10.1021/acs.jmedchem.8b01967 | |||
| 155525097 | 335494 | 0 | None | -426 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 712 | 13 | 1 | 10 | 5.5 | CN1CC=C(c2nsnc2OCCCN2CCN(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
| CHEMBL4455570 | 335494 | 0 | None | -426 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 712 | 13 | 1 | 10 | 5.5 | CN1CC=C(c2nsnc2OCCCN2CCN(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
| 44593627 | 384960 | 0 | None | -2 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | |||
| CHEMBL524071 | 384960 | 0 | None | -2 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | |||
| 57326146 | 158826 | 0 | None | -1 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 236 | 3 | 0 | 2 | 1.8 | C[N+](C)(C)C[C@@H]1COC[C@@H](c2ccccc2)O1 | 10.1021/jm2013216 | |||
| CHEMBL2079020 | 158826 | 0 | None | -1 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 236 | 3 | 0 | 2 | 1.8 | C[N+](C)(C)C[C@@H]1COC[C@@H](c2ccccc2)O1 | 10.1021/jm2013216 | |||
| 71574174 | 177017 | 0 | None | 8 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 399 | 7 | 0 | 5 | 3.7 | COc1ccc(CCOC(=O)C2=C(c3cccc(F)c3)CCN(C)C2)cc1OC | 10.1021/jm301774u | |||
| CHEMBL2311547 | 177017 | 0 | None | 8 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 399 | 7 | 0 | 5 | 3.7 | COc1ccc(CCOC(=O)C2=C(c3cccc(F)c3)CCN(C)C2)cc1OC | 10.1021/jm301774u | |||
| 56963799 | 156563 | 0 | None | -851 | 10 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 378 | 6 | 0 | 5 | 4.6 | C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc([N+](=O)[O-])cc3)ccc2o1 | 10.1021/jm201690h | |||
| CHEMBL2031737 | 156563 | 0 | None | -851 | 10 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 378 | 6 | 0 | 5 | 4.6 | C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc([N+](=O)[O-])cc3)ccc2o1 | 10.1021/jm201690h | |||
| 118719930 | 234719 | 0 | None | -3 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 470 | 17 | 1 | 3 | 6.7 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCCCCCO)CC1 | 10.1021/jm501173q | |||
| CHEMBL3354077 | 234719 | 0 | None | -3 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 470 | 17 | 1 | 3 | 6.7 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCCCCCO)CC1 | 10.1021/jm501173q | |||
| 44593616 | 384952 | 0 | None | -3 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 341 | 3 | 0 | 3 | 3.1 | CN1CCC[C@@H]1[C@@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | |||
| CHEMBL523518 | 384952 | 0 | None | -3 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 341 | 3 | 0 | 3 | 3.1 | CN1CCC[C@@H]1[C@@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | |||
| 11498 | 6149 | 38 | None | -151 | 13 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 392 | 3 | 1 | 5 | 4.1 | CCOC(=O)c1c(C)[nH]c2c1c1CN3CCc4c(C3Oc1cc2)ccc(c4)OC | 10.1021/jm011116o | |||
| 4995951 | 6149 | 38 | None | -151 | 13 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 392 | 3 | 1 | 5 | 4.1 | CCOC(=O)c1c(C)[nH]c2c1c1CN3CCc4c(C3Oc1cc2)ccc(c4)OC | 10.1021/jm011116o | |||
| CHEMBL59898 | 6149 | 38 | None | -151 | 13 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 392 | 3 | 1 | 5 | 4.1 | CCOC(=O)c1c(C)[nH]c2c1c1CN3CCc4c(C3Oc1cc2)ccc(c4)OC | 10.1021/jm011116o | |||
| 10203251 | 19562 | 0 | None | -1698 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 434 | 5 | 0 | 6 | 4.8 | CCCc1c(C(=O)OCC)c2c3c(ccc2n1C)OC1c2ccc(OC)cc2CCN1C3 | 10.1021/jm011116o | |||
| CHEMBL106224 | 19562 | 0 | None | -1698 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 434 | 5 | 0 | 6 | 4.8 | CCCc1c(C(=O)OCC)c2c3c(ccc2n1C)OC1c2ccc(OC)cc2CCN1C3 | 10.1021/jm011116o | |||
| 11523051 | 193610 | 0 | None | -2 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 218 | 1 | 0 | 2 | 0.7 | C[C@@H]1O[C@H]([C@@H]2CCC[N+]2(C)C)C[S@@+]1[O-] | 10.1021/jm0510878 | |||
| CHEMBL261194 | 193610 | 0 | None | -2 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 218 | 1 | 0 | 2 | 0.7 | C[C@@H]1O[C@H]([C@@H]2CCC[N+]2(C)C)C[S@@+]1[O-] | 10.1021/jm0510878 | |||
| 45266386 | 385030 | 0 | None | -1 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 218 | 1 | 0 | 2 | 0.7 | C[C@@H]1O[C@H]([C@@H]2CCC[N+]2(C)C)C[S+]1[O-] | 10.1016/j.bmc.2007.12.036 | |||
| CHEMBL541424 | 385030 | 0 | None | -1 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 218 | 1 | 0 | 2 | 0.7 | C[C@@H]1O[C@H]([C@@H]2CCC[N+]2(C)C)C[S+]1[O-] | 10.1016/j.bmc.2007.12.036 | |||
| 130 | 7116 | 32 | None | -67 | 13 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 520 | 3 | 0 | 6 | 5.6 | CN1CCC2(CC1)COc1c2cc2c(c1)CCN2C(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C | 10.6019/CHEMBL5442175 | |||
| 3378093 | 7116 | 32 | None | -67 | 13 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 520 | 3 | 0 | 6 | 5.6 | CN1CCC2(CC1)COc1c2cc2c(c1)CCN2C(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C | 10.6019/CHEMBL5442175 | |||
| CHEMBL281350 | 7116 | 32 | None | -67 | 13 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 520 | 3 | 0 | 6 | 5.6 | CN1CCC2(CC1)COc1c2cc2c(c1)CCN2C(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C | 10.6019/CHEMBL5442175 | |||
| 118719929 | 234718 | 0 | None | -3 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 442 | 15 | 1 | 3 | 6.0 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCCCO)CC1 | 10.1021/jm501173q | |||
| CHEMBL3354076 | 234718 | 0 | None | -3 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 442 | 15 | 1 | 3 | 6.0 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCCCO)CC1 | 10.1021/jm501173q | |||
| 155563061 | 349311 | 0 | None | -1 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 410 | 7 | 0 | 5 | 4.0 | COc1ccc(CCOC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1OC | 10.1016/j.bmcl.2018.12.022 | |||
| CHEMBL4573269 | 349311 | 0 | None | -1 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 410 | 7 | 0 | 5 | 4.0 | COc1ccc(CCOC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1OC | 10.1016/j.bmcl.2018.12.022 | |||
| 134149168 | 294932 | 0 | None | -5 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 297 | 2 | 0 | 2 | 3.6 | CN1CC[C@H]2CC(=O)[C@H](Cc3ccccc3)[C@H]3CCC[C@@H]1[C@H]23 | 10.1016/j.bmcl.2016.10.065 | |||
| CHEMBL3936289 | 294932 | 0 | None | -5 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 297 | 2 | 0 | 2 | 3.6 | CN1CC[C@H]2CC(=O)[C@H](Cc3ccccc3)[C@H]3CCC[C@@H]1[C@H]23 | 10.1016/j.bmcl.2016.10.065 | |||
| 156014205 | 352207 | 0 | None | -3 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 318 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1CO[C@@](c2ccccc2)(C2CCCCC2)CO1 | 10.1021/acs.jmedchem.9b02100 | |||
| CHEMBL4650957 | 352207 | 0 | None | -3 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 318 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1CO[C@@](c2ccccc2)(C2CCCCC2)CO1 | 10.1021/acs.jmedchem.9b02100 | |||
| 2200 | 6369 | 35 | None | -6 | 11 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.bmc.2007.09.003 | |||
| 328 | 6369 | 35 | None | -6 | 11 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.bmc.2007.09.003 | |||
| 4848 | 6369 | 35 | None | -6 | 11 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.bmc.2007.09.003 | |||
| CHEMBL9967 | 6369 | 35 | None | -6 | 11 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.bmc.2007.09.003 | |||
| DB00670 | 6369 | 35 | None | -6 | 11 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.bmc.2007.09.003 | |||
| 16086059 | 162223 | 0 | None | -11220 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 662 | 9 | 3 | 5 | 3.9 | O=C(NCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm301774u | |||
| CHEMBL215180 | 162223 | 0 | None | -11220 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 662 | 9 | 3 | 5 | 3.9 | O=C(NCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm301774u | |||
| 16086059 | 162223 | 0 | None | -11220 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 662 | 9 | 3 | 5 | 3.9 | O=C(NCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm051205r | |||
| CHEMBL215180 | 162223 | 0 | None | -11220 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 662 | 9 | 3 | 5 | 3.9 | O=C(NCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm051205r | |||
| 44593616 | 384952 | 0 | None | -3 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 341 | 3 | 0 | 3 | 3.1 | CN1CCC[C@@H]1[C@@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | |||
| CHEMBL523518 | 384952 | 0 | None | -3 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 341 | 3 | 0 | 3 | 3.1 | CN1CCC[C@@H]1[C@@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | |||
| 10474335 | 387172 | 20 | None | -123 | 10 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 370 | 6 | 0 | 3 | 4.8 | COc1cccc2c1CCCC2CCCN1CCN(C2CCCCC2)CC1 | 10.1038/s41586-020-2286-9 | |||
| CHEMBL53325 | 387172 | 20 | None | -123 | 10 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 370 | 6 | 0 | 3 | 4.8 | COc1cccc2c1CCCC2CCCN1CCN(C2CCCCC2)CC1 | 10.1038/s41586-020-2286-9 | |||
| 137645938 | 313479 | 0 | None | -2570 | 8 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 342 | 8 | 0 | 2 | 4.6 | CCCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/acs.jmedchem.8b00265 | |||
| CHEMBL4080675 | 313479 | 0 | None | -2570 | 8 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 342 | 8 | 0 | 2 | 4.6 | CCCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/acs.jmedchem.8b00265 | |||
| 177372533 | 393594 | 0 | None | 1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 351 | 4 | 1 | 6 | 1.9 | CN1CCN(Cc2nc3cccnc3n2-c2ccccc2C(=O)O)CC1 | 10.1016/j.ejmech.2023.115891 | |||
| CHEMBL5639755 | 393594 | 0 | None | 1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 351 | 4 | 1 | 6 | 1.9 | CN1CCN(Cc2nc3cccnc3n2-c2ccccc2C(=O)O)CC1 | 10.1016/j.ejmech.2023.115891 | |||
| 71575026 | 177101 | 0 | None | -1 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 351 | 6 | 0 | 4 | 3.9 | CCN1CCC(c2ccccc2)=C(C(=O)OCc2ccc(OC)cc2)C1 | 10.1021/jm301774u | |||
| CHEMBL2312388 | 177101 | 0 | None | -1 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 351 | 6 | 0 | 4 | 3.9 | CCN1CCC(c2ccccc2)=C(C(=O)OCc2ccc(OC)cc2)C1 | 10.1021/jm301774u | |||
| 155560140 | 350316 | 0 | None | -245 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 789 | 21 | 9 | 9 | 1.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
| CHEMBL4595575 | 350316 | 0 | None | -245 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 789 | 21 | 9 | 9 | 1.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
| 145961495 | 316989 | 0 | None | -5 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 407 | 4 | 0 | 5 | 3.4 | C[C@]1(C(=O)O[C@H]2CN3CCC2CC3)COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | |||
| CHEMBL4127373 | 316989 | 0 | None | -5 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 407 | 4 | 0 | 5 | 3.4 | C[C@]1(C(=O)O[C@H]2CN3CCC2CC3)COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | |||
| 10880435 | 121842 | 0 | None | -15 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 278 | 5 | 0 | 2 | 3.6 | CN(C)CCC1=C(Cc2ccccn2)c2ccccc2C1 | 10.1021/jm020895l | |||
| CHEMBL169494 | 121842 | 0 | None | -15 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 278 | 5 | 0 | 2 | 3.6 | CN(C)CCC1=C(Cc2ccccn2)c2ccccc2C1 | 10.1021/jm020895l | |||
| 24894109 | 372187 | 0 | None | -2 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 180 | 1 | 0 | 1 | 2.5 | Cc1ccc([C@@H]2CCC[N+]2(C)C)o1 | 10.1021/jm800145d | |||
| CHEMBL509202 | 372187 | 0 | None | -2 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 180 | 1 | 0 | 1 | 2.5 | Cc1ccc([C@@H]2CCC[N+]2(C)C)o1 | 10.1021/jm800145d | |||
| 10982070 | 19505 | 0 | None | -19 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 392 | 2 | 0 | 6 | 3.7 | COC(=O)c1c(C)n(C)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | |||
| CHEMBL105945 | 19505 | 0 | None | -19 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 392 | 2 | 0 | 6 | 3.7 | COC(=O)c1c(C)n(C)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | |||
| 2436 | 470362 | 35 | None | -7 | 14 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | |||
| 68617 | 470362 | 35 | None | -7 | 14 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | |||
| CHEMBL809 | 470362 | 35 | None | -7 | 14 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | |||
| DB01104 | 470362 | 35 | None | -7 | 14 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | |||
| 11039424 | 160411 | 3 | None | -120 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 622 | 14 | 3 | 4 | 5.4 | O=C(CCNC(=O)CNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCCN(CC2CCCCC2)C1 | 10.1021/jm010480k | |||
| CHEMBL2112955 | 160411 | 3 | None | -120 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 622 | 14 | 3 | 4 | 5.4 | O=C(CCNC(=O)CNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCCN(CC2CCCCC2)C1 | 10.1021/jm010480k | |||
| 44627744 | 28281 | 0 | None | -1 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 348 | 4 | 1 | 2 | 4.5 | C[N+]1(C)CCCC1c1ccc(C(O)(c2ccccc2)c2ccccc2)o1 | 10.1021/jm901048j | |||
| CHEMBL1197389 | 28281 | 0 | None | -1 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 348 | 4 | 1 | 2 | 4.5 | C[N+]1(C)CCCC1c1ccc(C(O)(c2ccccc2)c2ccccc2)o1 | 10.1021/jm901048j | |||
| 71575119 | 177090 | 0 | None | -1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 413 | 6 | 0 | 3 | 4.7 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(Br)cc2)C1 | 10.1021/jm301774u | |||
| CHEMBL2312373 | 177090 | 0 | None | -1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 413 | 6 | 0 | 3 | 4.7 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(Br)cc2)C1 | 10.1021/jm301774u | |||
| 14223 | 5452 | 8 | None | -4786 | 15 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 386 | 4 | 1 | 5 | 5.1 | CC1=CC(=CC(=C1)C2=C(SC(=N2)NC(=O)C3=CN=CC=C3)C4=CC=NC=C4)C | 10.1021/acsmedchemlett.1c00685 | |||
| 22282339 | 5452 | 8 | None | -4786 | 15 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 386 | 4 | 1 | 5 | 5.1 | CC1=CC(=CC(=C1)C2=C(SC(=N2)NC(=O)C3=CN=CC=C3)C4=CC=NC=C4)C | 10.1021/acsmedchemlett.1c00685 | |||
| CHEMBL2181976 | 5452 | 8 | None | -4786 | 15 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 386 | 4 | 1 | 5 | 5.1 | CC1=CC(=CC(=C1)C2=C(SC(=N2)NC(=O)C3=CN=CC=C3)C4=CC=NC=C4)C | 10.1021/acsmedchemlett.1c00685 | |||
| 11748799 | 330292 | 0 | None | -23 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 306 | 5 | 0 | 2 | 4.3 | CN(C)CCC1=C(C(C)(C)c2ccccn2)c2ccccc2C1 | 10.1021/jm020895l | |||
| CHEMBL423831 | 330292 | 0 | None | -23 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 306 | 5 | 0 | 2 | 4.3 | CN(C)CCC1=C(C(C)(C)c2ccccn2)c2ccccc2C1 | 10.1021/jm020895l | |||
| 24865895 | 193604 | 0 | None | -1 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmc.2007.12.036 | |||
| CHEMBL259662 | 193604 | 0 | None | -1 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmc.2007.12.036 | |||
| 137640201 | 312873 | 2 | None | -2951 | 13 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 362 | 6 | 0 | 2 | 4.3 | O=C1CCc2ccccc2N1CCCN1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | |||
| CHEMBL4072818 | 312873 | 2 | None | -2951 | 13 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 362 | 6 | 0 | 2 | 4.3 | O=C1CCc2ccccc2N1CCCN1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | |||
| 11004046 | 19789 | 0 | None | -245 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 406 | 3 | 0 | 6 | 4.1 | CCOC(=O)c1c(C)n(C)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | |||
| CHEMBL107444 | 19789 | 0 | None | -245 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 406 | 3 | 0 | 6 | 4.1 | CCOC(=O)c1c(C)n(C)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | |||
| 147326216 | 389070 | 0 | None | -3 | 15 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 424 | 10 | 2 | 6 | 4.3 | CCN(CC)CCCC(C)Nc1cnc(C(=O)Nc2cc(F)cc3cccnc23)cn1 | 10.1021/acs.jmedchem.2c01769 | |||
| CHEMBL5431371 | 389070 | 0 | None | -3 | 15 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 424 | 10 | 2 | 6 | 4.3 | CCN(CC)CCCC(C)Nc1cnc(C(=O)Nc2cc(F)cc3cccnc23)cn1 | 10.1021/acs.jmedchem.2c01769 | |||
| 2398 | 1965 | 48 | None | -2 | 22 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | |||
| 2801 | 1965 | 48 | None | -2 | 22 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | |||
| 701 | 1965 | 48 | None | -2 | 22 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | |||
| CHEMBL415 | 1965 | 48 | None | -2 | 22 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | |||
| DB01242 | 1965 | 48 | None | -2 | 22 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | |||
| 155523648 | 350556 | 0 | None | -263 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 909 | 18 | 6 | 9 | 5.2 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
| CHEMBL4597576 | 350556 | 0 | None | -263 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 909 | 18 | 6 | 9 | 5.2 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
| 155540315 | 347033 | 0 | None | 2 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 398 | 7 | 0 | 5 | 4.0 | COc1ccc(CCN(C(=O)OC2CCN(C)CC2)c2ccccc2)cc1OC | 10.1016/j.bmcl.2018.12.022 | |||
| CHEMBL4516350 | 347033 | 0 | None | 2 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 398 | 7 | 0 | 5 | 4.0 | COc1ccc(CCN(C(=O)OC2CCN(C)CC2)c2ccccc2)cc1OC | 10.1016/j.bmcl.2018.12.022 | |||
| 122194374 | 252057 | 0 | None | -1 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 367 | 7 | 0 | 4 | 3.8 | COc1ccc(CCC(=O)OCC2(c3ccccc3)CCN(C)CC2)cc1 | 10.1016/j.bmcl.2015.10.029 | |||
| CHEMBL3629534 | 252057 | 0 | None | -1 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 367 | 7 | 0 | 4 | 3.8 | COc1ccc(CCC(=O)OCC2(c3ccccc3)CCN(C)CC2)cc1 | 10.1016/j.bmcl.2015.10.029 | |||
| 44593621 | 384959 | 0 | None | -2 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 3.7 | CN1CCC[C@H]1[C@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | |||
| CHEMBL524061 | 384959 | 0 | None | -2 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 3.7 | CN1CCC[C@H]1[C@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | |||
| 137651507 | 313344 | 0 | None | -9 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 472 | 4 | 3 | 9 | 2.4 | CCOC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4ccc(Cl)s4)cc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.7b00141 | |||
| CHEMBL4078926 | 313344 | 0 | None | -9 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 472 | 4 | 3 | 9 | 2.4 | CCOC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4ccc(Cl)s4)cc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.7b00141 | |||
| 171578 | 26574 | 2 | None | -1 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 281 | 3 | 1 | 2 | 2.6 | C[N+](C)(C)CC#CCOC(=O)Nc1ccc(Cl)cc1 | 10.1021/jm0510878 | |||
| CHEMBL1184962 | 26574 | 2 | None | -1 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 281 | 3 | 1 | 2 | 2.6 | C[N+](C)(C)CC#CCOC(=O)Nc1ccc(Cl)cc1 | 10.1021/jm0510878 | |||
| 290 | 5025 | 4 | None | -3 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1021/jm800145d | |||
| 4022 | 5025 | 4 | None | -3 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1021/jm800145d | |||
| 5926 | 5025 | 4 | None | -3 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1021/jm800145d | |||
| CHEMBL40554 | 5025 | 4 | None | -3 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1021/jm800145d | |||
| CHEMBL74300 | 5025 | 4 | None | -3 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1021/jm800145d | |||
| 290 | 5025 | 4 | None | -3 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/j.bmc.2009.10.027 | |||
| 4022 | 5025 | 4 | None | -3 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/j.bmc.2009.10.027 | |||
| 5926 | 5025 | 4 | None | -3 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/j.bmc.2009.10.027 | |||
| CHEMBL40554 | 5025 | 4 | None | -3 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/j.bmc.2009.10.027 | |||
| CHEMBL74300 | 5025 | 4 | None | -3 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/j.bmc.2009.10.027 | |||
| 290 | 5025 | 4 | None | -3 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/j.bmcl.2014.06.020 | |||
| 4022 | 5025 | 4 | None | -3 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/j.bmcl.2014.06.020 | |||
| 5926 | 5025 | 4 | None | -3 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/j.bmcl.2014.06.020 | |||
| CHEMBL40554 | 5025 | 4 | None | -3 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/j.bmcl.2014.06.020 | |||
| CHEMBL74300 | 5025 | 4 | None | -3 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/j.bmcl.2014.06.020 | |||
| 3468 | 350117 | 13 | None | -1 | 20 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | |||
| 4138 | 350117 | 13 | None | -1 | 20 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | |||
| CHEMBL459265 | 350117 | 13 | None | -1 | 20 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | |||
| DB00406 | 350117 | 13 | None | -1 | 20 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | |||
| 156014820 | 352220 | 0 | None | -123 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 780 | 14 | 1 | 6 | 7.8 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02172 | |||
| CHEMBL4650998 | 352220 | 0 | None | -123 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 780 | 14 | 1 | 6 | 7.8 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02172 | |||
| 156014820 | 352220 | 0 | None | -123 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 780 | 14 | 1 | 6 | 7.8 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1039/d0md00137f | |||
| CHEMBL4650998 | 352220 | 0 | None | -123 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 780 | 14 | 1 | 6 | 7.8 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1039/d0md00137f | |||
| 1379 | 116475 | 17 | None | -1 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 275 | 3 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)c1ccccc1)C2 | nan | |||
| 5282593 | 116475 | 17 | None | -1 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 275 | 3 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)c1ccccc1)C2 | nan | |||
| CHEMBL1618018 | 116475 | 17 | None | -1 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 275 | 3 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)c1ccccc1)C2 | nan | |||
| DB11181 | 116475 | 17 | None | -1 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 275 | 3 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)c1ccccc1)C2 | nan | |||
| 9913341 | 163586 | 3 | None | -158 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 487 | 16 | 0 | 13 | 1.6 | COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | |||
| CHEMBL216927 | 163586 | 3 | None | -158 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 487 | 16 | 0 | 13 | 1.6 | COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | |||
| 155566290 | 350543 | 0 | None | -4365 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 916 | 24 | 9 | 11 | 1.4 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | |||
| CHEMBL4597498 | 350543 | 0 | None | -4365 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 916 | 24 | 9 | 11 | 1.4 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | |||
| 9913341 | 163586 | 3 | None | -158 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 487 | 16 | 0 | 13 | 1.6 | COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | |||
| CHEMBL216927 | 163586 | 3 | None | -158 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 487 | 16 | 0 | 13 | 1.6 | COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | |||
| 60138193 | 239462 | 0 | None | -23 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 325 | 9 | 0 | 3 | 2.1 | C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCOC1=NOCC1 | 10.1021/jm500790x | |||
| CHEMBL3558240 | 239462 | 0 | None | -23 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 325 | 9 | 0 | 3 | 2.1 | C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCOC1=NOCC1 | 10.1021/jm500790x | |||
| 156014875 | 352156 | 0 | None | -2 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 344 | 5 | 0 | 3 | 4.0 | C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccc(Sc3ccccc3)cc2)CO1 | 10.1021/acs.jmedchem.9b02100 | |||
| CHEMBL4650577 | 352156 | 0 | None | -2 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 344 | 5 | 0 | 3 | 4.0 | C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccc(Sc3ccccc3)cc2)CO1 | 10.1021/acs.jmedchem.9b02100 | |||
| 156011518 | 352253 | 0 | None | -5 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 388 | 5 | 0 | 2 | 4.8 | C[N+](C)(C)C[C@@H]1CO[C@H](c2ccccc2)C(c2ccccc2)(c2ccccc2)O1 | 10.1021/acs.jmedchem.9b02100 | |||
| CHEMBL4651208 | 352253 | 0 | None | -5 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 388 | 5 | 0 | 2 | 4.8 | C[N+](C)(C)C[C@@H]1CO[C@H](c2ccccc2)C(c2ccccc2)(c2ccccc2)O1 | 10.1021/acs.jmedchem.9b02100 | |||
| 10109893 | 163593 | 0 | None | -14 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 373 | 13 | 1 | 9 | 0.7 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCO)C1 | 10.1021/jm0606995 | |||
| CHEMBL216983 | 163593 | 0 | None | -14 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 373 | 13 | 1 | 9 | 0.7 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCO)C1 | 10.1021/jm0606995 | |||
| 24894516 | 346843 | 0 | None | -2 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 165 | 1 | 0 | 2 | 2.4 | Cc1ccc([C@@H]2CCCN2C)o1 | 10.1021/jm800145d | |||
| CHEMBL450463 | 346843 | 0 | None | -2 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 165 | 1 | 0 | 2 | 2.4 | Cc1ccc([C@@H]2CCCN2C)o1 | 10.1021/jm800145d | |||
| 42596929 | 158827 | 0 | None | -5 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.1 | C[N+](C)(C)CC1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | |||
| CHEMBL2079021 | 158827 | 0 | None | -5 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.1 | C[N+](C)(C)CC1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | |||
| 171357345 | 386435 | 0 | None | -14 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 930 | 19 | 2 | 5 | 13.0 | CN1/C(=C/C=C/C=C/C2=[N+](CCCCCC(=O)NCCCCCCN3CCC(OC(=O)Nc4ccc(F)cc4-c4ccc(F)c(Cl)c4)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acs.jmedchem.2c01376 | |||
| CHEMBL5277670 | 386435 | 0 | None | -14 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 930 | 19 | 2 | 5 | 13.0 | CN1/C(=C/C=C/C=C/C2=[N+](CCCCCC(=O)NCCCCCCN3CCC(OC(=O)Nc4ccc(F)cc4-c4ccc(F)c(Cl)c4)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acs.jmedchem.2c01376 | |||
| 155536739 | 336739 | 0 | None | 1 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 384 | 5 | 0 | 4 | 4.1 | COc1ccc(COC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1F | 10.1016/j.bmcl.2018.12.022 | |||
| CHEMBL4473985 | 336739 | 0 | None | 1 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 384 | 5 | 0 | 4 | 4.1 | COc1ccc(COC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1F | 10.1016/j.bmcl.2018.12.022 | |||
| 155554149 | 349448 | 0 | None | -2 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 380 | 4 | 0 | 5 | 3.7 | O=C(OCc1ccc2c(c1)OCO2)N(c1ccccc1)C1CN2CCC1CC2 | 10.1016/j.bmcl.2018.12.022 | |||
| CHEMBL4576768 | 349448 | 0 | None | -2 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 380 | 4 | 0 | 5 | 3.7 | O=C(OCc1ccc2c(c1)OCO2)N(c1ccccc1)C1CN2CCC1CC2 | 10.1016/j.bmcl.2018.12.022 | |||
| 162645430 | 366961 | 0 | None | -31 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 860 | 15 | 2 | 7 | 8.2 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1039/d0md00137f | |||
| CHEMBL4802409 | 366961 | 0 | None | -31 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 860 | 15 | 2 | 7 | 8.2 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1039/d0md00137f | |||
| 49783415 | 41547 | 0 | None | -5495 | 13 | Human | 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 | -5495 | 13 | Human | 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 | |||
| 156015978 | 352238 | 0 | None | -645 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 1968 | 45 | 8 | 21 | 14.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)c3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | |||
| CHEMBL4651111 | 352238 | 0 | None | -645 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 1968 | 45 | 8 | 21 | 14.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)c3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | |||
| 44593627 | 384960 | 0 | None | -2 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | |||
| CHEMBL524071 | 384960 | 0 | None | -2 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | |||
| 71575118 | 177089 | 0 | None | 1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 369 | 6 | 0 | 3 | 4.6 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(Cl)cc2)C1 | 10.1021/jm301774u | |||
| CHEMBL2312372 | 177089 | 0 | None | 1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 369 | 6 | 0 | 3 | 4.6 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(Cl)cc2)C1 | 10.1021/jm301774u | |||
| 44437298 | 26161 | 0 | None | -18 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 237 | 2 | 0 | 3 | 1.4 | C[N+]1(CC#CCOC2=NOCC2)CCCCC1 | 10.1016/j.bmc.2007.09.003 | |||
| CHEMBL1182460 | 26161 | 0 | None | -18 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 237 | 2 | 0 | 3 | 1.4 | C[N+]1(CC#CCOC2=NOCC2)CCCCC1 | 10.1016/j.bmc.2007.09.003 | |||
| 71455894 | 174789 | 0 | None | -3 | 12 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 325 | 4 | 1 | 4 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC | 10.1016/j.bmcl.2012.08.046 | |||
| CHEMBL2205827 | 174789 | 0 | None | -3 | 12 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 325 | 4 | 1 | 4 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC | 10.1016/j.bmcl.2012.08.046 | |||
| 71455894 | 174789 | 0 | None | -3 | 12 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 325 | 4 | 1 | 4 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC | 10.1016/j.bmc.2013.07.045 | |||
| CHEMBL2205827 | 174789 | 0 | None | -3 | 12 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 325 | 4 | 1 | 4 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC | 10.1016/j.bmc.2013.07.045 | |||
| 11110049 | 121030 | 0 | None | 1 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 321 | 6 | 1 | 3 | 2.3 | CN(C)CCNC(=O)C1=C(Cc2ccncc2)c2ccccc2C1 | 10.1021/jm020895l | |||
| CHEMBL168223 | 121030 | 0 | None | 1 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 321 | 6 | 1 | 3 | 2.3 | CN(C)CCNC(=O)C1=C(Cc2ccncc2)c2ccccc2C1 | 10.1021/jm020895l | |||
| 92218234 | 239453 | 0 | None | -23 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 160 | 2 | 0 | 2 | 0.1 | C[N+](C)(C)C[C@@H]1COCCO1 | 10.1016/j.bmcl.2014.06.020 | |||
| CHEMBL3558072 | 239453 | 0 | None | -23 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 160 | 2 | 0 | 2 | 0.1 | C[N+](C)(C)C[C@@H]1COCCO1 | 10.1016/j.bmcl.2014.06.020 | |||
| 10595006 | 25722 | 0 | None | -2 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 365 | 7 | 0 | 4 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(OC)cc2)C1 | 10.1021/jm301774u | |||
| CHEMBL1180343 | 25722 | 0 | None | -2 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 365 | 7 | 0 | 4 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(OC)cc2)C1 | 10.1021/jm301774u | |||
| 73347827 | 183352 | 0 | None | -1 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 311 | 4 | 0 | 2 | 2.6 | CN(CCc1cccc(F)c1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21 | 10.1016/j.bmc.2013.07.045 | |||
| CHEMBL2432052 | 183352 | 0 | None | -1 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 311 | 4 | 0 | 2 | 2.6 | CN(CCc1cccc(F)c1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21 | 10.1016/j.bmc.2013.07.045 | |||
| CHEMBL1386 | 63288 | 0 | None | -7 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | None | None | None | None | nan | |||||
| 155522355 | 350377 | 0 | None | -281 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 732 | 19 | 8 | 8 | 2.3 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
| CHEMBL4596065 | 350377 | 0 | None | -281 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 732 | 19 | 8 | 8 | 2.3 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
| 155523889 | 350489 | 0 | None | -54 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 803 | 21 | 9 | 9 | 1.8 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
| CHEMBL4597014 | 350489 | 0 | None | -54 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 803 | 21 | 9 | 9 | 1.8 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
| 2551 | 1644 | 11 | None | -363 | 11 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2007.12.036 | |||
| 298 | 1644 | 11 | None | -363 | 11 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2007.12.036 | |||
| 488 | 1644 | 11 | None | -363 | 11 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2007.12.036 | |||
| 5831 | 1644 | 11 | None | -363 | 11 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2007.12.036 | |||
| CHEMBL965 | 1644 | 11 | None | -363 | 11 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2007.12.036 | |||
| DB00411 | 1644 | 11 | None | -363 | 11 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2007.12.036 | |||
| 171349546 | 386954 | 0 | None | -70 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 959 | 21 | 2 | 5 | 13.8 | CN1/C(=C/C=C/C=C/C2=[N+](CCCCCC(=O)NCCCCCCCCN3CCC(OC(=O)Nc4ccc(F)cc4-c4ccc(F)c(Cl)c4)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acs.jmedchem.2c01376 | |||
| CHEMBL5289667 | 386954 | 0 | None | -70 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 959 | 21 | 2 | 5 | 13.8 | CN1/C(=C/C=C/C=C/C2=[N+](CCCCCC(=O)NCCCCCCCCN3CCC(OC(=O)Nc4ccc(F)cc4-c4ccc(F)c(Cl)c4)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acs.jmedchem.2c01376 | |||
| 154059 | 7390 | 37 | None | -3 | 8 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 10.1016/j.ejmech.2017.06.004 | |||
| 2457 | 7390 | 37 | None | -3 | 8 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 10.1016/j.ejmech.2017.06.004 | |||
| 7483 | 7390 | 37 | None | -3 | 8 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 10.1016/j.ejmech.2017.06.004 | |||
| CHEMBL1734 | 7390 | 37 | None | -3 | 8 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 10.1016/j.ejmech.2017.06.004 | |||
| DB01591 | 7390 | 37 | None | -3 | 8 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 10.1016/j.ejmech.2017.06.004 | |||
| 2551 | 1644 | 11 | None | -363 | 11 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm020572p | |||
| 298 | 1644 | 11 | None | -363 | 11 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm020572p | |||
| 488 | 1644 | 11 | None | -363 | 11 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm020572p | |||
| 5831 | 1644 | 11 | None | -363 | 11 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm020572p | |||
| CHEMBL965 | 1644 | 11 | None | -363 | 11 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm020572p | |||
| DB00411 | 1644 | 11 | None | -363 | 11 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm020572p | |||
| 122194380 | 252060 | 0 | None | -1 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 381 | 7 | 2 | 3 | 3.2 | COc1ccc(CCNC(=O)NCC2(c3ccccc3)CCN(C)CC2)cc1 | 10.1016/j.bmcl.2015.10.029 | |||
| CHEMBL3629539 | 252060 | 0 | None | -1 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 381 | 7 | 2 | 3 | 3.2 | COc1ccc(CCNC(=O)NCC2(c3ccccc3)CCN(C)CC2)cc1 | 10.1016/j.bmcl.2015.10.029 | |||
| 57339144 | 183047 | 56 | None | -58 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 529 | 6 | 1 | 5 | 4.8 | O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1 | 10.1038/nchembio.1157 | |||
| CHEMBL2426364 | 183047 | 56 | None | -58 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 529 | 6 | 1 | 5 | 4.8 | O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1 | 10.1038/nchembio.1157 | |||
| 57339144 | 183047 | 56 | None | -58 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 529 | 6 | 1 | 5 | 4.8 | O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1 | 10.6019/CHEMBL5212743 | |||
| CHEMBL2426364 | 183047 | 56 | None | -58 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 529 | 6 | 1 | 5 | 4.8 | O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1 | 10.6019/CHEMBL5212743 | |||
| 9906447 | 390580 | 2 | None | -602 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 351 | 5 | 0 | 3 | 4.8 | C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc(F)cc3)ccc2o1 | 10.1021/jm201690h | |||
| CHEMBL555146 | 390580 | 2 | None | -602 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 351 | 5 | 0 | 3 | 4.8 | C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc(F)cc3)ccc2o1 | 10.1021/jm201690h | |||
| 71575120 | 177091 | 0 | None | 1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 380 | 7 | 0 | 5 | 3.9 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc([N+](=O)[O-])cc2)C1 | 10.1021/jm301774u | |||
| CHEMBL2312374 | 177091 | 0 | None | 1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 380 | 7 | 0 | 5 | 3.9 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc([N+](=O)[O-])cc2)C1 | 10.1021/jm301774u | |||
| 44422699 | 26125 | 0 | None | -6 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@@H]1COC[C@H](C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2007.11.073 | |||
| CHEMBL1182272 | 26125 | 0 | None | -6 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@@H]1COC[C@H](C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2007.11.073 | |||
| 24894631 | 350724 | 1 | None | -1 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 151 | 1 | 0 | 2 | 2.0 | CN1CCCC1c1ccco1 | 10.1021/jm800145d | |||
| CHEMBL460470 | 350724 | 1 | None | -1 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 151 | 1 | 0 | 2 | 2.0 | CN1CCCC1c1ccco1 | 10.1021/jm800145d | |||
| 155510347 | 348750 | 0 | None | -1 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 398 | 7 | 0 | 5 | 4.0 | COc1ccc(CCN(C(=O)OC2CCCN(C)C2)c2ccccc2)cc1OC | 10.1016/j.bmcl.2018.12.022 | |||
| CHEMBL4559952 | 348750 | 0 | None | -1 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 398 | 7 | 0 | 5 | 4.0 | COc1ccc(CCN(C(=O)OC2CCCN(C)C2)c2ccccc2)cc1OC | 10.1016/j.bmcl.2018.12.022 | |||
| 145961161 | 317146 | 0 | None | -5 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 379 | 5 | 0 | 4 | 3.5 | c1ccc(C2(c3ccccc3)COC[C@H](CO[C@H]3CN4CCC3CC4)O2)cc1 | 10.1016/j.ejmech.2017.06.004 | |||
| CHEMBL4129580 | 317146 | 0 | None | -5 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 379 | 5 | 0 | 4 | 3.5 | c1ccc(C2(c3ccccc3)COC[C@H](CO[C@H]3CN4CCC3CC4)O2)cc1 | 10.1016/j.ejmech.2017.06.004 | |||
| 289 | 499 | 13 | None | -407 | 14 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 301 | 8 | 0 | 2 | 4.9 | CCCCC1CCN(CC1)CCCC(=O)c1ccccc1C | 10.1021/jm100697g | |||
| 9948320 | 499 | 13 | None | -407 | 14 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 301 | 8 | 0 | 2 | 4.9 | CCCCC1CCN(CC1)CCCC(=O)c1ccccc1C | 10.1021/jm100697g | |||
| CHEMBL1242950 | 499 | 13 | None | -407 | 14 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 301 | 8 | 0 | 2 | 4.9 | CCCCC1CCN(CC1)CCCC(=O)c1ccccc1C | 10.1021/jm100697g | |||
| 6726 | 2642 | 44 | None | -9 | 13 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| 7151 | 2642 | 44 | None | -9 | 13 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| 749 | 2642 | 44 | None | -9 | 13 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| CHEMBL648 | 2642 | 44 | None | -9 | 13 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| DB01176 | 2642 | 44 | None | -9 | 13 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| 155554568 | 350572 | 0 | None | -1071 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 702 | 14 | 4 | 8 | 2.6 | CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
| CHEMBL4597724 | 350572 | 0 | None | -1071 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 702 | 14 | 4 | 8 | 2.6 | CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
| 118719926 | 234715 | 0 | None | -1047 | 8 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 358 | 9 | 1 | 3 | 3.6 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCO)CC1 | 10.1021/jm501173q | |||
| CHEMBL3354073 | 234715 | 0 | None | -1047 | 8 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 358 | 9 | 1 | 3 | 3.6 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCO)CC1 | 10.1021/jm501173q | |||
| 24865895 | 193604 | 0 | None | -1 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2007.11.073 | |||
| CHEMBL259662 | 193604 | 0 | None | -1 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2007.11.073 | |||
| 156016047 | 352175 | 0 | None | -3 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccccc2)[C@H](c2ccccc2)O1 | 10.1021/acs.jmedchem.9b02100 | |||
| CHEMBL4650722 | 352175 | 0 | None | -3 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccccc2)[C@H](c2ccccc2)O1 | 10.1021/acs.jmedchem.9b02100 | |||
| 10870954 | 238978 | 0 | None | -3 | 5 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 321 | 6 | 1 | 3 | 2.3 | CN(C)CCNC(=O)C1=C(Cc2ccccn2)c2ccccc2C1 | 10.1021/jm020895l | |||
| CHEMBL352779 | 238978 | 0 | None | -3 | 5 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 321 | 6 | 1 | 3 | 2.3 | CN(C)CCNC(=O)C1=C(Cc2ccccn2)c2ccccc2C1 | 10.1021/jm020895l | |||
| 2284 | 6466 | 25 | None | -9 | 23 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | |||
| 4926 | 6466 | 25 | None | -9 | 23 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | |||
| 7281 | 6466 | 25 | None | -9 | 23 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | |||
| CHEMBL564 | 6466 | 25 | None | -9 | 23 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | |||
| DB00420 | 6466 | 25 | None | -9 | 23 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | |||
| 135413563 | 241495 | 20 | None | -3 | 8 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 600 | 4 | 2 | 7 | 4.3 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCCN(C)CC1 | 10.6019/CHEMBL5442175 | |||
| CHEMBL360648 | 241495 | 20 | None | -3 | 8 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 600 | 4 | 2 | 7 | 4.3 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCCN(C)CC1 | 10.6019/CHEMBL5442175 | |||
| 44627855 | 394458 | 0 | None | -2 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.9 | CN1CCC[C@@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | |||
| CHEMBL569212 | 394458 | 0 | None | -2 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.9 | CN1CCC[C@@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | |||
| 145960427 | 316993 | 0 | None | -3 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 407 | 4 | 0 | 5 | 3.4 | C[C@@]1(C(=O)O[C@H]2CN3CCC2CC3)COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | |||
| CHEMBL4127428 | 316993 | 0 | None | -3 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 407 | 4 | 0 | 5 | 3.4 | C[C@@]1(C(=O)O[C@H]2CN3CCC2CC3)COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | |||
| 24894630 | 372135 | 0 | None | -2 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 180 | 1 | 0 | 1 | 2.5 | Cc1ccc(C2CCC[N+]2(C)C)o1 | 10.1021/jm800145d | |||
| CHEMBL508347 | 372135 | 0 | None | -2 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 180 | 1 | 0 | 1 | 2.5 | Cc1ccc(C2CCC[N+]2(C)C)o1 | 10.1021/jm800145d | |||
| 156015971 | 352197 | 0 | None | -3 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 318 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1CO[C@](c2ccccc2)(C2CCCCC2)CO1 | 10.1021/acs.jmedchem.9b02100 | |||
| CHEMBL4650880 | 352197 | 0 | None | -3 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 318 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1CO[C@](c2ccccc2)(C2CCCCC2)CO1 | 10.1021/acs.jmedchem.9b02100 | |||
| 155516095 | 334617 | 0 | None | 1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 366 | 5 | 0 | 4 | 3.9 | COc1ccc(COC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1 | 10.1016/j.bmcl.2018.12.022 | |||
| CHEMBL4442996 | 334617 | 0 | None | 1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 366 | 5 | 0 | 4 | 3.9 | COc1ccc(COC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1 | 10.1016/j.bmcl.2018.12.022 | |||
| 71575027 | 177102 | 0 | None | 4 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 379 | 8 | 0 | 4 | 4.4 | CCN1CCC(c2ccccc2)=C(C(=O)OCCCc2ccc(OC)cc2)C1 | 10.1021/jm301774u | |||
| CHEMBL2312389 | 177102 | 0 | None | 4 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 379 | 8 | 0 | 4 | 4.4 | CCN1CCC(c2ccccc2)=C(C(=O)OCCCc2ccc(OC)cc2)C1 | 10.1021/jm301774u | |||
| 10951142 | 19560 | 0 | None | -9 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 496 | 6 | 0 | 6 | 5.9 | CCOC(=O)c1c(CC)n(Cc2ccccc2)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | |||
| CHEMBL106219 | 19560 | 0 | None | -9 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 496 | 6 | 0 | 6 | 5.9 | CCOC(=O)c1c(CC)n(Cc2ccccc2)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | |||
| 164617938 | 371729 | 0 | None | -33 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 902 | 21 | 9 | 12 | 0.2 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | |||
| CHEMBL5028470 | 371729 | 0 | None | -33 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 902 | 21 | 9 | 12 | 0.2 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | |||
| 10916286 | 19441 | 0 | None | -2 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 396 | 2 | 1 | 4 | 4.8 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cccc(Cl)c2C1O3 | 10.1021/jm011116o | |||
| CHEMBL105593 | 19441 | 0 | None | -2 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 396 | 2 | 1 | 4 | 4.8 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cccc(Cl)c2C1O3 | 10.1021/jm011116o | |||
| 7022778 | 346911 | 11 | None | -1 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 137 | 1 | 1 | 2 | 1.7 | c1coc([C@@H]2CCCN2)c1 | 10.1021/jm800145d | |||
| CHEMBL451335 | 346911 | 11 | None | -1 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 137 | 1 | 1 | 2 | 1.7 | c1coc([C@@H]2CCCN2)c1 | 10.1021/jm800145d | |||
| 118719931 | 234720 | 0 | None | -1 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 669 | 18 | 0 | 4 | 8.7 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)CC1 | 10.1021/jm501173q | |||
| CHEMBL3354078 | 234720 | 0 | None | -1 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 669 | 18 | 0 | 4 | 8.7 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)CC1 | 10.1021/jm501173q | |||
| 324 | 3939 | 17 | None | -97 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/s0960-894x(01)00186-x | |||
| 6436265 | 3939 | 17 | None | -97 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/s0960-894x(01)00186-x | |||
| CHEMBL277642 | 3939 | 17 | None | -97 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/s0960-894x(01)00186-x | |||
| 164620907 | 371750 | 0 | None | -5888 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 917 | 22 | 10 | 13 | -0.9 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | |||
| CHEMBL5028619 | 371750 | 0 | None | -5888 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 917 | 22 | 10 | 13 | -0.9 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | |||
| 9893924 | 19088 | 27 | None | -19 | 22 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 554 | 11 | 3 | 4 | 5.4 | S=C(NCCCc1c[nH]cn1)NCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1 | 10.6019/CHEMBL5442175 | |||
| CHEMBL103769 | 19088 | 27 | None | -19 | 22 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 554 | 11 | 3 | 4 | 5.4 | S=C(NCCCc1c[nH]cn1)NCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1 | 10.6019/CHEMBL5442175 | |||
| 104943 | 118215 | 32 | None | -6309 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 412 | 7 | 1 | 3 | 5.1 | COc1ccccc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 | 10.6019/CHEMBL5442175 | |||
| CHEMBL16192 | 118215 | 32 | None | -6309 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 412 | 7 | 1 | 3 | 5.1 | COc1ccccc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 | 10.6019/CHEMBL5442175 | |||
| 56965018 | 158820 | 0 | None | -2 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 2.9 | CN(C)CC1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | |||
| CHEMBL2078967 | 158820 | 0 | None | -2 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 2.9 | CN(C)CC1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | |||
| 118710670 | 239459 | 0 | None | 1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 697 | 15 | 1 | 6 | 5.5 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm500790x | |||
| CHEMBL3558233 | 239459 | 0 | None | 1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 697 | 15 | 1 | 6 | 5.5 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm500790x | |||
| 171344666 | 386187 | 0 | None | -7 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 1159 | 27 | 3 | 10 | 12.8 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCS(=O)(=O)O)c3ccccc3C2(C)C)=[N+](CCCCCC(=O)NCCCCCCCCN2CCC(OC(=O)Nc3ccc(F)cc3-c3ccc(F)c(Cl)c3)CC2)c2ccc(S(=O)(=O)[O-])cc21 | 10.1021/acs.jmedchem.2c01376 | |||
| CHEMBL5271406 | 386187 | 0 | None | -7 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 1159 | 27 | 3 | 10 | 12.8 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCS(=O)(=O)O)c3ccccc3C2(C)C)=[N+](CCCCCC(=O)NCCCCCCCCN2CCC(OC(=O)Nc3ccc(F)cc3-c3ccc(F)c(Cl)c3)CC2)c2ccc(S(=O)(=O)[O-])cc21 | 10.1021/acs.jmedchem.2c01376 | |||
| 16115950 | 273827 | 0 | None | -1 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 325 | 3 | 0 | 3 | 4.1 | CN1CCC[C@H]1[C@H]1CSC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm061374r | |||
| CHEMBL373515 | 273827 | 0 | None | -1 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 325 | 3 | 0 | 3 | 4.1 | CN1CCC[C@H]1[C@H]1CSC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm061374r | |||
| 118719921 | 234709 | 0 | None | -1 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 537 | 12 | 0 | 7 | 5.3 | CN1CCC=C(c2nsnc2OCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | |||
| CHEMBL3354067 | 234709 | 0 | None | -1 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 537 | 12 | 0 | 7 | 5.3 | CN1CCC=C(c2nsnc2OCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | |||
| 180 | 829 | 44 | None | -6 | 32 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | |||
| 200 | 829 | 44 | None | -6 | 32 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | |||
| 2160 | 829 | 44 | None | -6 | 32 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | |||
| CHEMBL629 | 829 | 44 | None | -6 | 32 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | |||
| DB00321 | 829 | 44 | None | -6 | 32 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | |||
| 164585478 | 389411 | 0 | None | -891 | 6 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 485 | 4 | 2 | 2 | 7.3 | O=C(O)c1cc(-c2ccc(C3=CC4(CNC4)C3)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1021/acs.jmedchem.3c00664 | |||
| CHEMBL5438846 | 389411 | 0 | None | -891 | 6 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 485 | 4 | 2 | 2 | 7.3 | O=C(O)c1cc(-c2ccc(C3=CC4(CNC4)C3)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1021/acs.jmedchem.3c00664 | |||
| 155528270 | 350359 | 0 | None | -41 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 732 | 19 | 8 | 8 | 2.3 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
| CHEMBL4595943 | 350359 | 0 | None | -41 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 732 | 19 | 8 | 8 | 2.3 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
| 11092603 | 19200 | 0 | None | -6 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 524 | 7 | 0 | 7 | 5.8 | C=CCOC(=O)c1c(C)n(Cc2ccc(OC)cc2)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | |||
| CHEMBL104332 | 19200 | 0 | None | -6 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 524 | 7 | 0 | 7 | 5.8 | C=CCOC(=O)c1c(C)n(Cc2ccc(OC)cc2)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | |||
| 71575553 | 177074 | 0 | None | 4 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 371 | 5 | 0 | 3 | 4.7 | CN1CCC(c2ccccc2)=C(C(=O)OCCc2cccc3ccccc23)C1 | 10.1021/jm301774u | |||
| CHEMBL2312347 | 177074 | 0 | None | 4 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 371 | 5 | 0 | 3 | 4.7 | CN1CCC(c2ccccc2)=C(C(=O)OCCc2cccc3ccccc23)C1 | 10.1021/jm301774u | |||
| 2247 | 1042 | 63 | None | -23 | 37 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
| 249 | 1042 | 63 | None | -23 | 37 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
| 2603 | 1042 | 63 | None | -23 | 37 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
| CHEMBL296419 | 1042 | 63 | None | -23 | 37 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
| DB00637 | 1042 | 63 | None | -23 | 37 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
| 167434636 | 392325 | 0 | None | 21 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 397 | 3 | 0 | 7 | 2.7 | Cc1ncc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3Cl)CC2)s1 | 10.1021/acs.jmedchem.4c01193 | |||
| CHEMBL5594532 | 392325 | 0 | None | 21 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 397 | 3 | 0 | 7 | 2.7 | Cc1ncc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3Cl)CC2)s1 | 10.1021/acs.jmedchem.4c01193 | |||
| 135409468 | 4159 | 52 | None | 1 | 7 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | 10.1021/jm100697g | |||
| 333 | 4159 | 52 | None | 1 | 7 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | 10.1021/jm100697g | |||
| CHEMBL845 | 4159 | 52 | None | 1 | 7 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | 10.1021/jm100697g | |||
| 15065550 | 469980 | 0 | None | 1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 217 | 2 | 0 | 3 | 0.8 | Cc1nccn1CC#CCN1CCCC1=O | 10.1016/j.bmc.2007.12.036 | |||
| CHEMBL77793 | 469980 | 0 | None | 1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 217 | 2 | 0 | 3 | 0.8 | Cc1nccn1CC#CCN1CCCC1=O | 10.1016/j.bmc.2007.12.036 | |||
| 10262466 | 198619 | 0 | None | -7 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 208 | 2 | 0 | 3 | 0.3 | O=C1CCON1CC#CCN1CCCC1 | 10.1016/j.bmc.2007.09.003 | |||
| CHEMBL275104 | 198619 | 0 | None | -7 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 208 | 2 | 0 | 3 | 0.3 | O=C1CCON1CC#CCN1CCCC1 | 10.1016/j.bmc.2007.09.003 | |||
| 44634573 | 5612 | 1 | None | -5 | 12 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 465 | 6 | 0 | 2 | 5.0 | Cc1n(C/C=C/c2ccccc2)c2[n+](c1P(=S)(c1ccccc1)c1ccccc1)cccc2 | 10.6019/CHEMBL5442175 | |||
| 9168 | 5612 | 1 | None | -5 | 12 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 465 | 6 | 0 | 2 | 5.0 | Cc1n(C/C=C/c2ccccc2)c2[n+](c1P(=S)(c1ccccc1)c1ccccc1)cccc2 | 10.6019/CHEMBL5442175 | |||
| CHEMBL1474387 | 5612 | 1 | None | -5 | 12 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 465 | 6 | 0 | 2 | 5.0 | Cc1n(C/C=C/c2ccccc2)c2[n+](c1P(=S)(c1ccccc1)c1ccccc1)cccc2 | 10.6019/CHEMBL5442175 | |||
| CHEMBL1622930 | 5612 | 1 | None | -5 | 12 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 465 | 6 | 0 | 2 | 5.0 | Cc1n(C/C=C/c2ccccc2)c2[n+](c1P(=S)(c1ccccc1)c1ccccc1)cccc2 | 10.6019/CHEMBL5442175 | |||
| 44593617 | 370668 | 0 | None | -2 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 341 | 3 | 0 | 3 | 3.1 | CN1CCC[C@H]1[C@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | |||
| CHEMBL493795 | 370668 | 0 | None | -2 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 341 | 3 | 0 | 3 | 3.1 | CN1CCC[C@H]1[C@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | |||
| 10066369 | 238928 | 0 | None | -60 | 6 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 348 | 7 | 0 | 2 | 5.7 | CC(C1=C(CCN(C(C)C)C(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | |||
| CHEMBL352375 | 238928 | 0 | None | -60 | 6 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 348 | 7 | 0 | 2 | 5.7 | CC(C1=C(CCN(C(C)C)C(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | |||
| 164620270 | 371745 | 0 | None | -4365 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 903 | 21 | 10 | 13 | -1.3 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(CCC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | |||
| CHEMBL5028587 | 371745 | 0 | None | -4365 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 903 | 21 | 10 | 13 | -1.3 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(CCC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | |||
| 21509921 | 214176 | 0 | None | -501 | 24 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | |||
| CHEMBL3104091 | 214176 | 0 | None | -501 | 24 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | |||
| 44437295 | 26167 | 0 | None | -5 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 222 | 2 | 0 | 4 | 1.2 | C(#CCN1CCCCC1)COC1=NOCC1 | 10.1016/j.bmc.2007.09.003 | |||
| CHEMBL1182472 | 26167 | 0 | None | -5 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 222 | 2 | 0 | 4 | 1.2 | C(#CCN1CCCCC1)COC1=NOCC1 | 10.1016/j.bmc.2007.09.003 | |||
| 21509921 | 214176 | 0 | None | -501 | 24 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | |||
| CHEMBL3104091 | 214176 | 0 | None | -501 | 24 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | |||
| 11184481 | 463277 | 22 | None | -1 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 258 | 1 | 0 | 5 | 1.8 | Cc1ccc2oc(N3CCN4CCC3CC4)nc2n1 | 10.1021/jm9015075 | |||
| CHEMBL604798 | 463277 | 22 | None | -1 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 258 | 1 | 0 | 5 | 1.8 | Cc1ccc2oc(N3CCN4CCC3CC4)nc2n1 | 10.1021/jm9015075 | |||
| CHEMBL4520788 | 478301 | 14 | None | -24 | 26 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 448 | 8 | 2 | 7 | 5.6 | CNCc1ccccc1-c1csc([C@H](C)Nc2nc(C)nc3cc(OC)c(OC)cc23)c1 | 10.6019/CHEMBL4507273 | |||
| CHEMBL4520788 | 478301 | 14 | None | -24 | 26 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 448 | 8 | 2 | 7 | 5.6 | CNCc1ccccc1-c1csc([C@H](C)Nc2nc(C)nc3cc(OC)c(OC)cc23)c1 | 10.6019/CHEMBL5212743 | |||
| 135468531 | 181640 | 15 | None | None | None | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 342 | 3 | 2 | 4 | 3.4 | O=C1N/C(=N/c2ccccc2F)S/C1=C\c1ccc(C(=O)O)cc1 | 10.6019/CHEMBL5442175 | |||
| CHEMBL2392141 | 181640 | 15 | None | None | None | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 342 | 3 | 2 | 4 | 3.4 | O=C1N/C(=N/c2ccccc2F)S/C1=C\c1ccc(C(=O)O)cc1 | 10.6019/CHEMBL5442175 | |||
| 164619973 | 371744 | 0 | None | -1584 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 902 | 23 | 9 | 12 | 1.0 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | |||
| CHEMBL5028571 | 371744 | 0 | None | -1584 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 902 | 23 | 9 | 12 | 1.0 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | |||
| 44593619 | 370697 | 0 | None | -2 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 3.7 | CN1CCC[C@H]1[C@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | |||
| CHEMBL493980 | 370697 | 0 | None | -2 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 3.7 | CN1CCC[C@H]1[C@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | |||
| CHEMBL4520788 | 478301 | 14 | None | -24 | 26 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 448 | 8 | 2 | 7 | 5.6 | CNCc1ccccc1-c1csc([C@H](C)Nc2nc(C)nc3cc(OC)c(OC)cc23)c1 | 10.6019/CHEMBL4507273 | |||
| 44274417 | 199132 | 0 | None | -5 | 5 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 333 | 5 | 0 | 3 | 3.0 | CN(C)CCN(C)C(=O)C1=C/C(=C\c2ccccn2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | |||
| CHEMBL279225 | 199132 | 0 | None | -5 | 5 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 333 | 5 | 0 | 3 | 3.0 | CN(C)CCN(C)C(=O)C1=C/C(=C\c2ccccn2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | |||
| 11819782 | 196243 | 0 | None | -10 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 186 | 1 | 0 | 2 | 1.0 | C[C@H]1OC[C@@H]([C@H]2CCC[N+]2(C)C)O1 | 10.1016/j.bmc.2007.12.036 | |||
| CHEMBL259131 | 196243 | 0 | None | -10 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 186 | 1 | 0 | 2 | 1.0 | C[C@H]1OC[C@@H]([C@H]2CCC[N+]2(C)C)O1 | 10.1016/j.bmc.2007.12.036 | |||
| 46227461 | 38056 | 0 | None | -1 | 5 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 202 | 2 | 0 | 2 | 1.3 | C[C@@H]1O[C@H](C[N+](C)(C)C)COC1(C)C | 10.1016/j.bmc.2009.10.027 | |||
| CHEMBL1198077 | 38056 | 0 | None | -1 | 5 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 202 | 2 | 0 | 2 | 1.3 | C[C@@H]1O[C@H](C[N+](C)(C)C)COC1(C)C | 10.1016/j.bmc.2009.10.027 | |||
| 119357 | 7874 | 37 | None | -95 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 10.1016/s0960-894x(01)00186-x | |||
| 368 | 7874 | 37 | None | -95 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 10.1016/s0960-894x(01)00186-x | |||
| CHEMBL279453 | 7874 | 37 | None | -95 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 10.1016/s0960-894x(01)00186-x | |||
| 119357 | 7874 | 37 | None | -95 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 10.1021/acs.jmedchem.8b01967 | |||
| 368 | 7874 | 37 | None | -95 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 10.1021/acs.jmedchem.8b01967 | |||
| CHEMBL279453 | 7874 | 37 | None | -95 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 10.1021/acs.jmedchem.8b01967 | |||
| 10236758 | 234707 | 4 | None | -5495 | 13 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 328 | 7 | 0 | 2 | 4.3 | CCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/jm501173q | |||
| CHEMBL3354065 | 234707 | 4 | None | -5495 | 13 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 328 | 7 | 0 | 2 | 4.3 | CCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/jm501173q | |||
| 10114698 | 19172 | 0 | None | -489 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 448 | 7 | 1 | 5 | 5.5 | CCCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | |||
| CHEMBL104210 | 19172 | 0 | None | -489 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 448 | 7 | 1 | 5 | 5.5 | CCCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | |||
| 11101362 | 19464 | 0 | None | -14 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 396 | 2 | 1 | 4 | 4.8 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(Cl)ccc2C1O3 | 10.1021/jm011116o | |||
| CHEMBL105674 | 19464 | 0 | None | -14 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 396 | 2 | 1 | 4 | 4.8 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(Cl)ccc2C1O3 | 10.1021/jm011116o | |||
| 44274432 | 161586 | 0 | None | -3 | 5 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 333 | 5 | 0 | 3 | 3.0 | CN(C)CCN(C)C(=O)C1=C/C(=C\c2cccnc2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | |||
| CHEMBL21328 | 161586 | 0 | None | -3 | 5 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 333 | 5 | 0 | 3 | 3.0 | CN(C)CCN(C)C(=O)C1=C/C(=C\c2cccnc2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | |||
| 44274433 | 199709 | 0 | None | -3 | 5 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 319 | 5 | 1 | 3 | 2.7 | CN(C)CCNC(=O)C1=C/C(=C\c2ccncc2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | |||
| CHEMBL283320 | 199709 | 0 | None | -3 | 5 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 319 | 5 | 1 | 3 | 2.7 | CN(C)CCNC(=O)C1=C/C(=C\c2ccncc2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | |||
| 44627742 | 407602 | 0 | None | -4 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 323 | 4 | 0 | 2 | 5.8 | CN1CCCC1c1ccc(C(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | |||
| CHEMBL576707 | 407602 | 0 | None | -4 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 323 | 4 | 0 | 2 | 5.8 | CN1CCCC1c1ccc(C(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | |||
| 156015390 | 352157 | 0 | None | -5 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 318 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1COC[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | |||
| CHEMBL4650585 | 352157 | 0 | None | -5 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 318 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1COC[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | |||
| 122194377 | 252058 | 0 | None | -1 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 412 | 8 | 1 | 5 | 3.6 | COc1ccc(CCNC(=O)OCC2(c3ccccc3)CCN(C)CC2)cc1OC | 10.1016/j.bmcl.2015.10.029 | |||
| CHEMBL3629536 | 252058 | 0 | None | -1 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 412 | 8 | 1 | 5 | 3.6 | COc1ccc(CCNC(=O)OCC2(c3ccccc3)CCN(C)CC2)cc1OC | 10.1016/j.bmcl.2015.10.029 | |||
| 44437270 | 26597 | 0 | None | -13 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 222 | 2 | 0 | 3 | 0.6 | O=C1CCON1CC#CCN1CCCCC1 | 10.1016/j.bmc.2007.09.003 | |||
| CHEMBL1185211 | 26597 | 0 | None | -13 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 222 | 2 | 0 | 3 | 0.6 | O=C1CCON1CC#CCN1CCCCC1 | 10.1016/j.bmc.2007.09.003 | |||
| 1547484 | 1937 | 56 | None | -9 | 20 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| 2761 | 1937 | 56 | None | -9 | 20 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| 654 | 1937 | 56 | None | -9 | 20 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| 9072 | 1937 | 56 | None | -9 | 20 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| CHEMBL43064 | 1937 | 56 | None | -9 | 20 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| DB00568 | 1937 | 56 | None | -9 | 20 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| 56672197 | 138852 | 0 | None | -4 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 245 | 2 | 0 | 1 | 3.6 | Fc1cccc(CN2C3CC4CC(C3)CC2C4)c1 | 10.1016/j.bmcl.2011.07.028 | |||
| CHEMBL1852489 | 138852 | 0 | None | -4 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 245 | 2 | 0 | 1 | 3.6 | Fc1cccc(CN2C3CC4CC(C3)CC2C4)c1 | 10.1016/j.bmcl.2011.07.028 | |||
| 154734599 | 5087 | 6 | None | -28 | 9 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1016/j.bmc.2007.01.022 | |||
| 327 | 5087 | 6 | None | -28 | 9 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1016/j.bmc.2007.01.022 | |||
| 4108 | 5087 | 6 | None | -28 | 9 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1016/j.bmc.2007.01.022 | |||
| CHEMBL27673 | 5087 | 6 | None | -28 | 9 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1016/j.bmc.2007.01.022 | |||
| 44274317 | 164782 | 0 | None | -2 | 5 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 319 | 5 | 1 | 3 | 2.7 | CN(C)CCNC(=O)C1=C/C(=C\c2ccccn2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | |||
| CHEMBL21937 | 164782 | 0 | None | -2 | 5 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 319 | 5 | 1 | 3 | 2.7 | CN(C)CCNC(=O)C1=C/C(=C\c2ccccn2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | |||
| 44274477 | 330444 | 0 | None | -1 | 5 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 331 | 2 | 0 | 3 | 2.8 | CN1CCN(C(=O)C2=C/C(=C\c3ccncc3)c3ccccc32)CC1 | 10.1016/s0960-894x(01)00186-x | |||
| CHEMBL424214 | 330444 | 0 | None | -1 | 5 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 331 | 2 | 0 | 3 | 2.8 | CN1CCN(C(=O)C2=C/C(=C\c3ccncc3)c3ccccc32)CC1 | 10.1016/s0960-894x(01)00186-x | |||
| 129105383 | 405025 | 0 | None | -10 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 522 | 7 | 1 | 4 | 5.2 | C[C@@H]1CN(c2ccc(OC(F)(F)F)cc2F)CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1 | nan | |||
| CHEMBL5741633 | 405025 | 0 | None | -10 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 522 | 7 | 1 | 4 | 5.2 | C[C@@H]1CN(c2ccc(OC(F)(F)F)cc2F)CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1 | nan | |||
| 160449038 | 406079 | 0 | None | -10 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 500 | 8 | 1 | 3 | 6.4 | O=C(NCCC1CCN(Cc2ccccc2)CC1)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1F | nan | |||
| CHEMBL5751712 | 406079 | 0 | None | -10 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 500 | 8 | 1 | 3 | 6.4 | O=C(NCCC1CCN(Cc2ccccc2)CC1)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1F | nan | |||
| 161003556 | 407722 | 0 | None | -10 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 489 | 7 | 1 | 5 | 4.4 | C[C@H]1CN(c2ncc(C(F)(F)F)cn2)CCC1C(=O)NCCC1CCN(Cc2ccccc2)CC1 | nan | |||
| CHEMBL5768275 | 407722 | 0 | None | -10 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 489 | 7 | 1 | 5 | 4.4 | C[C@H]1CN(c2ncc(C(F)(F)F)cn2)CCC1C(=O)NCCC1CCN(Cc2ccccc2)CC1 | nan | |||
| 162370380 | 409019 | 0 | None | -10 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 471 | 7 | 1 | 6 | 3.4 | C[C@@H]1CN(c2ncc(C#N)cn2)C[C@H](C)N1C(=O)NCCC1CCN(CC[Si](C)(C)C)CC1 | nan | |||
| CHEMBL5781495 | 409019 | 0 | None | -10 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 471 | 7 | 1 | 6 | 3.4 | C[C@@H]1CN(c2ncc(C#N)cn2)C[C@H](C)N1C(=O)NCCC1CCN(CC[Si](C)(C)C)CC1 | nan | |||
| 162196148 | 410091 | 0 | None | -10 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 488 | 7 | 1 | 4 | 5.0 | C[C@H]1CN(c2ccc(C(F)(F)F)cn2)CCC1C(=O)NCCC1CCN(Cc2ccccc2)CC1 | nan | |||
| CHEMBL5792560 | 410091 | 0 | None | -10 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 488 | 7 | 1 | 4 | 5.0 | C[C@H]1CN(c2ccc(C(F)(F)F)cn2)CCC1C(=O)NCCC1CCN(Cc2ccccc2)CC1 | nan | |||
| 162370408 | 411529 | 0 | None | -10 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 504 | 6 | 1 | 5 | 4.4 | C[C@@H]1CN(c2cnc(C(F)(F)F)nc2)C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1 | nan | |||
| CHEMBL5808683 | 411529 | 0 | None | -10 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 504 | 6 | 1 | 5 | 4.4 | C[C@@H]1CN(c2cnc(C(F)(F)F)nc2)C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1 | nan | |||
| 162370271 | 413468 | 0 | None | -1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 500 | 6 | 2 | 6 | 3.7 | C[C@@H]1CN(c2ncc(C#N)cn2)C[C@H](C)N1C(=O)NCCC1CCN(Cc2ccc3[nH]ccc3c2)CC1 | nan | |||
| CHEMBL5830131 | 413468 | 0 | None | -1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 500 | 6 | 2 | 6 | 3.7 | C[C@@H]1CN(c2ncc(C#N)cn2)C[C@H](C)N1C(=O)NCCC1CCN(Cc2ccc3[nH]ccc3c2)CC1 | nan | |||
| 129105429 | 413558 | 0 | None | -1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 522 | 7 | 1 | 4 | 5.2 | C[C@@H]1CN(C(=O)NCCC2CCN(Cc3ccccc3)CC2)CCN1c1ccc(OC(F)(F)F)c(F)c1 | nan | |||
| CHEMBL5831109 | 413558 | 0 | None | -1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 522 | 7 | 1 | 4 | 5.2 | C[C@@H]1CN(C(=O)NCCC2CCN(Cc3ccccc3)CC2)CCN1c1ccc(OC(F)(F)F)c(F)c1 | nan | |||
| 162370387 | 424518 | 0 | None | -10 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 505 | 6 | 2 | 6 | 3.6 | C[C@H]1CN(c2ncc(C(F)(F)F)c(N)n2)CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1 | nan | |||
| CHEMBL5843726 | 424518 | 0 | None | -10 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 505 | 6 | 2 | 6 | 3.6 | C[C@H]1CN(c2ncc(C(F)(F)F)c(N)n2)CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1 | nan | |||
| 162370393 | 425087 | 0 | None | -10 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 490 | 6 | 1 | 3 | 5.1 | C[C@@H]1CN(c2cc(F)c(Cl)c(F)c2)CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1 | nan | |||
| CHEMBL5850246 | 425087 | 0 | None | -10 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 490 | 6 | 1 | 3 | 5.1 | C[C@@H]1CN(c2cc(F)c(Cl)c(F)c2)CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1 | nan | |||
| 153683043 | 425465 | 0 | None | -10 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 540 | 7 | 1 | 4 | 5.4 | C[C@@H]1CN(c2cc(F)c(OC(F)(F)F)c(F)c2)CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1 | nan | |||
| CHEMBL5854168 | 425465 | 0 | None | -10 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 540 | 7 | 1 | 4 | 5.4 | C[C@@H]1CN(c2cc(F)c(OC(F)(F)F)c(F)c2)CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1 | nan | |||
| 162370389 | 426075 | 0 | None | -10 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 471 | 6 | 1 | 4 | 4.3 | C[C@@H]1CN(c2ncc(F)cc2F)C[C@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1 | nan | |||
| CHEMBL5860549 | 426075 | 0 | None | -10 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 471 | 6 | 1 | 4 | 4.3 | C[C@@H]1CN(c2ncc(F)cc2F)C[C@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1 | nan | |||
| 162031401 | 426463 | 0 | None | -10 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 472 | 6 | 1 | 3 | 5.0 | C[C@@H]1CN(c2ccc(Cl)c(F)c2)CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1 | nan | |||
| CHEMBL5865012 | 426463 | 0 | None | -10 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 472 | 6 | 1 | 3 | 5.0 | C[C@@H]1CN(c2ccc(Cl)c(F)c2)CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1 | nan | |||
| 129105255 | 428844 | 0 | None | -10 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 504 | 7 | 1 | 4 | 5.1 | C[C@H]1CN(c2ccc(OC(F)(F)F)cc2)CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1 | nan | |||
| CHEMBL5891903 | 428844 | 0 | None | -10 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 504 | 7 | 1 | 4 | 5.1 | C[C@H]1CN(c2ccc(OC(F)(F)F)cc2)CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1 | nan | |||
| 160724512 | 429037 | 0 | None | -10 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 506 | 7 | 1 | 4 | 5.1 | C[C@H]1CN(c2ncc(C(F)(F)F)cc2F)CCC1C(=O)NCCC1CCN(Cc2ccccc2)CC1 | nan | |||
| CHEMBL5893842 | 429037 | 0 | None | -10 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 506 | 7 | 1 | 4 | 5.1 | C[C@H]1CN(c2ncc(C(F)(F)F)cc2F)CCC1C(=O)NCCC1CCN(Cc2ccccc2)CC1 | nan | |||
| 157664081 | 431117 | 0 | None | -10 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 445 | 7 | 1 | 5 | 3.8 | C[C@H]1CN(c2ccc(C#N)cn2)CCC1C(=O)NCCC1CCN(Cc2ccccc2)CC1 | nan | |||
| CHEMBL5914361 | 431117 | 0 | None | -10 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 445 | 7 | 1 | 5 | 3.8 | C[C@H]1CN(c2ccc(C#N)cn2)CCC1C(=O)NCCC1CCN(Cc2ccccc2)CC1 | nan | |||
| 129105297 | 432136 | 0 | None | -10 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 508 | 7 | 1 | 4 | 5.4 | O=C(NCCC1CCN(Cc2ccccc2)CC1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 | nan | |||
| CHEMBL5924835 | 432136 | 0 | None | -10 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 508 | 7 | 1 | 4 | 5.4 | O=C(NCCC1CCN(Cc2ccccc2)CC1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 | nan | |||
| 162370398 | 443036 | 0 | None | -1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 504 | 6 | 1 | 5 | 4.4 | C[C@@H]1CN(c2cnc(C(F)(F)F)cn2)C[C@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1 | nan | |||
| CHEMBL6014084 | 443036 | 0 | None | -1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 504 | 6 | 1 | 5 | 4.4 | C[C@@H]1CN(c2cnc(C(F)(F)F)cn2)C[C@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1 | nan | |||
| 129105392 | 445624 | 0 | None | -10 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 522 | 7 | 1 | 4 | 5.2 | C[C@H]1CN(c2ccc(OC(F)(F)F)c(F)c2)CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1 | nan | |||
| CHEMBL5963450 | 445624 | 0 | None | -10 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 522 | 7 | 1 | 4 | 5.2 | C[C@H]1CN(c2ccc(OC(F)(F)F)c(F)c2)CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1 | nan | |||
| 159208167 | 445654 | 0 | None | -10 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 463 | 6 | 1 | 4 | 4.2 | C[C@@H]1CN(c2ccc(C#N)c(F)c2)CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1 | nan | |||
| CHEMBL5963695 | 445654 | 0 | None | -10 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 463 | 6 | 1 | 4 | 4.2 | C[C@@H]1CN(c2ccc(C#N)c(F)c2)CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1 | nan | |||
| 160192113 | 447524 | 0 | None | -10 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 504 | 6 | 1 | 3 | 5.5 | C[C@@H]1CN(c2cc(F)c(F)c(Cl)c2)C[C@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1 | nan | |||
| CHEMBL5984260 | 447524 | 0 | None | -10 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 504 | 6 | 1 | 3 | 5.5 | C[C@@H]1CN(c2cc(F)c(F)c(Cl)c2)C[C@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1 | nan | |||
| 162370392 | 449091 | 0 | None | -10 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 481 | 6 | 1 | 4 | 4.4 | C[C@@H]1CN(c2cc(F)c(C#N)c(F)c2)CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1 | nan | |||
| CHEMBL6000770 | 449091 | 0 | None | -10 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 481 | 6 | 1 | 4 | 4.4 | C[C@@H]1CN(c2cc(F)c(C#N)c(F)c2)CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1 | nan | |||
| 135375030 | 449236 | 0 | None | -1 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 473 | 6 | 1 | 2 | 5.9 | O=C(NCCC1CCN(Cc2ccccc2)CC1)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 | nan | |||
| CHEMBL6002553 | 449236 | 0 | None | -1 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 473 | 6 | 1 | 2 | 5.9 | O=C(NCCC1CCN(Cc2ccccc2)CC1)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 | nan | |||
| 135375208 | 449378 | 0 | None | -1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 513 | 6 | 2 | 3 | 5.1 | C[C@@H]1CN(c2cc(F)c(F)c(F)c2)CCN1C(=O)NCCC1CCN(Cc2ccc3[nH]ccc3c2)CC1 | nan | |||
| CHEMBL6004030 | 449378 | 0 | None | -1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 513 | 6 | 2 | 3 | 5.1 | C[C@@H]1CN(c2cc(F)c(F)c(F)c2)CCN1C(=O)NCCC1CCN(Cc2ccc3[nH]ccc3c2)CC1 | nan | |||
| 162370395 | 451916 | 0 | None | -10 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 529 | 7 | 1 | 5 | 5.0 | C[C@@H]1CN(c2ccc(C#N)c(OC(F)(F)F)c2)CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1 | nan | |||
| CHEMBL6030937 | 451916 | 0 | None | -10 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 529 | 7 | 1 | 5 | 5.0 | C[C@@H]1CN(c2ccc(C#N)c(OC(F)(F)F)c2)CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1 | nan | |||
| 162370242 | 461980 | 0 | None | -10 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 500 | 6 | 1 | 5 | 3.8 | C[C@@H]1CN(c2ncc(Br)cn2)CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1 | nan | |||
| CHEMBL6035026 | 461980 | 0 | None | -10 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 500 | 6 | 1 | 5 | 3.8 | C[C@@H]1CN(c2ncc(Br)cn2)CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1 | nan | |||
| 162370406 | 462314 | 0 | None | -1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 493 | 7 | 1 | 5 | 4.2 | COc1cc(N2CCN(C(=O)NCCC3CCN(Cc4ccccc4)CC3)[C@H](C)C2)cc(F)c1C#N | nan | |||
| CHEMBL6038687 | 462314 | 0 | None | -1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 493 | 7 | 1 | 5 | 4.2 | COc1cc(N2CCN(C(=O)NCCC3CCN(Cc4ccccc4)CC3)[C@H](C)C2)cc(F)c1C#N | nan | |||
| 161488507 | 462760 | 0 | None | -10 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 459 | 6 | 1 | 6 | 3.0 | N#Cc1cnc(N2CC3CCC(C2)N3C(=O)NCCC2CCN(Cc3ccccc3)CC2)nc1 | nan | |||
| CHEMBL6043075 | 462760 | 0 | None | -10 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 459 | 6 | 1 | 6 | 3.0 | N#Cc1cnc(N2CC3CCC(C2)N3C(=O)NCCC2CCN(Cc3ccccc3)CC2)nc1 | nan | |||
| 162370405 | 464853 | 0 | None | -10 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 513 | 6 | 1 | 4 | 5.1 | C[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1 | nan | |||
| CHEMBL6064494 | 464853 | 0 | None | -10 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 513 | 6 | 1 | 4 | 5.1 | C[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1 | nan | |||
| 155562295 | 349170 | 0 | None | 1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 396 | 6 | 0 | 5 | 3.9 | COc1ccc(COC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1OC | 10.1016/j.bmcl.2018.12.022 | |||
| CHEMBL4570052 | 349170 | 0 | None | 1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 396 | 6 | 0 | 5 | 3.9 | COc1ccc(COC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1OC | 10.1016/j.bmcl.2018.12.022 | |||
| CHEMBL69452 | 468936 | 0 | None | -2 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 331 | 6 | 1 | 5 | 2.7 | CCO/C(O)=C1\CN2CC(CCC2COCc2ccccc2)C1=O | 10.1021/jm020572p | |||
| 2230 | 961 | 44 | None | -13182 | 10 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm020572p | |||
| 296 | 961 | 44 | None | -13182 | 10 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm020572p | |||
| CHEMBL7303 | 961 | 44 | None | -13182 | 10 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm020572p | |||
| DB04365 | 961 | 44 | None | -13182 | 10 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm020572p | |||
| 172472598 | 389522 | 0 | None | -7 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 772 | 11 | 1 | 10 | 5.7 | O=C1CCC(N2Cc3cc(C4CCN(C(=O)CCCCCN5CCC(c6ccc(Oc7nn8cnnc8c8c7CCCC8)cc6)CC5)CC4)ccc3C2=O)C(=O)N1 | 10.6019/CHEMBL5463725 | |||
| CHEMBL5465171 | 389522 | 0 | None | -7 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 772 | 11 | 1 | 10 | 5.7 | O=C1CCC(N2Cc3cc(C4CCN(C(=O)CCCCCN5CCC(c6ccc(Oc7nn8cnnc8c8c7CCCC8)cc6)CC5)CC4)ccc3C2=O)C(=O)N1 | 10.6019/CHEMBL5463725 | |||
| 2230 | 961 | 44 | None | -13182 | 10 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1016/j.bmc.2007.12.036 | |||
| 296 | 961 | 44 | None | -13182 | 10 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1016/j.bmc.2007.12.036 | |||
| CHEMBL7303 | 961 | 44 | None | -13182 | 10 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1016/j.bmc.2007.12.036 | |||
| DB04365 | 961 | 44 | None | -13182 | 10 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1016/j.bmc.2007.12.036 | |||
| 107782 | 38381 | 16 | None | -2 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 472 | 4 | 4 | 6 | 2.0 | C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O | nan | |||
| 4667 | 38381 | 16 | None | -2 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 472 | 4 | 4 | 6 | 2.0 | C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O | nan | |||
| CHEMBL1201207 | 38381 | 16 | None | -2 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 472 | 4 | 4 | 6 | 2.0 | C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O | nan | |||
| DB14669 | 38381 | 16 | None | -2 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 472 | 4 | 4 | 6 | 2.0 | C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O | nan | |||
| 44437308 | 26596 | 0 | None | -11 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 285 | 2 | 0 | 3 | 1.9 | C[N+]1(CC#CCOC2=NOCC2)CCc2ccccc2C1 | 10.1016/j.bmc.2007.09.003 | |||
| CHEMBL1185188 | 26596 | 0 | None | -11 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 285 | 2 | 0 | 3 | 1.9 | C[N+]1(CC#CCOC2=NOCC2)CCc2ccccc2C1 | 10.1016/j.bmc.2007.09.003 | |||
| 172472598 | 389522 | 0 | None | -7 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 772 | 11 | 1 | 10 | 5.7 | O=C1CCC(N2Cc3cc(C4CCN(C(=O)CCCCCN5CCC(c6ccc(Oc7nn8cnnc8c8c7CCCC8)cc6)CC5)CC4)ccc3C2=O)C(=O)N1 | 10.6019/CHEMBL5463725 | |||
| CHEMBL5465171 | 389522 | 0 | None | -7 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 772 | 11 | 1 | 10 | 5.7 | O=C1CCC(N2Cc3cc(C4CCN(C(=O)CCCCCN5CCC(c6ccc(Oc7nn8cnnc8c8c7CCCC8)cc6)CC5)CC4)ccc3C2=O)C(=O)N1 | 10.6019/CHEMBL5463725 | |||
| 164618698 | 371736 | 0 | None | -6165 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 931 | 23 | 10 | 13 | -0.5 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | |||
| CHEMBL5028512 | 371736 | 0 | None | -6165 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 931 | 23 | 10 | 13 | -0.5 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | |||
| 11530307 | 159915 | 0 | None | -1 | 2 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 218 | 1 | 0 | 2 | 0.7 | C[C@H]1O[C@@H]([C@@H]2CCC[N+]2(C)C)C[S@@+]1[O-] | 10.1021/jm0510878 | |||
| CHEMBL2109993 | 159915 | 0 | None | -1 | 2 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 218 | 1 | 0 | 2 | 0.7 | C[C@H]1O[C@@H]([C@@H]2CCC[N+]2(C)C)C[S@@+]1[O-] | 10.1021/jm0510878 | |||
| 45266386 | 385030 | 0 | None | -1 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 218 | 1 | 0 | 2 | 0.7 | C[C@@H]1O[C@H]([C@@H]2CCC[N+]2(C)C)C[S+]1[O-] | 10.1016/j.bmc.2007.12.036 | |||
| CHEMBL541424 | 385030 | 0 | None | -1 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 218 | 1 | 0 | 2 | 0.7 | C[C@@H]1O[C@H]([C@@H]2CCC[N+]2(C)C)C[S+]1[O-] | 10.1016/j.bmc.2007.12.036 | |||
| 133633 | 4568 | 39 | None | -56 | 13 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 340 | 3 | 2 | 2 | 4.3 | Clc1ccc(cc1)C1(O)CCN(CC1)Cc1c[nH]c2c1cccc2 | 10.6019/CHEMBL5442175 | |||
| 177 | 4568 | 39 | None | -56 | 13 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 340 | 3 | 2 | 2 | 4.3 | Clc1ccc(cc1)C1(O)CCN(CC1)Cc1c[nH]c2c1cccc2 | 10.6019/CHEMBL5442175 | |||
| CHEMBL445102 | 4568 | 39 | None | -56 | 13 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 340 | 3 | 2 | 2 | 4.3 | Clc1ccc(cc1)C1(O)CCN(CC1)Cc1c[nH]c2c1cccc2 | 10.6019/CHEMBL5442175 | |||
| 11061341 | 160414 | 0 | None | -123 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 662 | 13 | 2 | 4 | 6.3 | O=C(CCNC(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCCN(CC2CCCCC2)C1 | 10.1021/jm010480k | |||
| CHEMBL2112958 | 160414 | 0 | None | -123 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 662 | 13 | 2 | 4 | 6.3 | O=C(CCNC(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCCN(CC2CCCCC2)C1 | 10.1021/jm010480k | |||
| 155554262 | 350520 | 0 | None | -1 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 797 | 15 | 6 | 7 | 5.6 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
| CHEMBL4597244 | 350520 | 0 | None | -1 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 797 | 15 | 6 | 7 | 5.6 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
| 44593618 | 370696 | 0 | None | -6 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 3.7 | CN1CCC[C@@H]1[C@@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | |||
| CHEMBL493979 | 370696 | 0 | None | -6 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 3.7 | CN1CCC[C@@H]1[C@@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | |||
| 73347826 | 183350 | 0 | None | -4 | 7 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 266 | 4 | 1 | 2 | 2.4 | c1ccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)nc1 | 10.1016/j.bmc.2013.07.045 | |||
| CHEMBL2432049 | 183350 | 0 | None | -4 | 7 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 266 | 4 | 1 | 2 | 2.4 | c1ccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)nc1 | 10.1016/j.bmc.2013.07.045 | |||
| 71463063 | 174788 | 0 | None | -9 | 8 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1 | 10.1016/j.bmcl.2012.08.046 | |||
| CHEMBL2205825 | 174788 | 0 | None | -9 | 8 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1 | 10.1016/j.bmcl.2012.08.046 | |||
| 25067048 | 26602 | 0 | None | -46 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 646 | 13 | 2 | 2 | 8.1 | C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCC(C2CC[N+](C)(CCCC(O)(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.03.061 | |||
| CHEMBL1185245 | 26602 | 0 | None | -46 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 646 | 13 | 2 | 2 | 8.1 | C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCC(C2CC[N+](C)(CCCC(O)(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.03.061 | |||
| 11833737 | 239002 | 0 | None | -3 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 306 | 5 | 0 | 2 | 4.5 | Cc1ccc2c(c1)C(C(C)c1ccccn1)=C(CCN(C)C)C2 | 10.1021/jm020895l | |||
| CHEMBL352966 | 239002 | 0 | None | -3 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 306 | 5 | 0 | 2 | 4.5 | Cc1ccc2c(c1)C(C(C)c1ccccn1)=C(CCN(C)C)C2 | 10.1021/jm020895l | |||
| 1650 | 4048 | 10 | None | -3715 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 464 | 9 | 1 | 4 | 4.3 | OC(=O)COc1cccc(c1)C(N(C(=O)Cc1ccc(c(c1)Cl)Cl)C)CN1CCCC1 | 10.6019/CHEMBL5442175 | |||
| 3683 | 4048 | 10 | None | -3715 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 464 | 9 | 1 | 4 | 4.3 | OC(=O)COc1cccc(c1)C(N(C(=O)Cc1ccc(c(c1)Cl)Cl)C)CN1CCCC1 | 10.6019/CHEMBL5442175 | |||
| CHEMBL23472 | 4048 | 10 | None | -3715 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 464 | 9 | 1 | 4 | 4.3 | OC(=O)COc1cccc(c1)C(N(C(=O)Cc1ccc(c(c1)Cl)Cl)C)CN1CCCC1 | 10.6019/CHEMBL5442175 | |||
| 73355415 | 183341 | 0 | None | -3 | 13 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 277 | 3 | 1 | 1 | 2.1 | C1C2C3CC4C2C2C1C3[C@H](NCC13C5C6C7C5C1C7C63)C42 | 10.1016/j.bmc.2013.07.045 | |||
| CHEMBL2432039 | 183341 | 0 | None | -3 | 13 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 277 | 3 | 1 | 1 | 2.1 | C1C2C3CC4C2C2C1C3[C@H](NCC13C5C6C7C5C1C7C63)C42 | 10.1016/j.bmc.2013.07.045 | |||
| 24841480 | 367228 | 0 | None | -3 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 340 | 3 | 0 | 4 | 4.5 | O=C(OCCN1CCCC1)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | |||
| CHEMBL481153 | 367228 | 0 | None | -3 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 340 | 3 | 0 | 4 | 4.5 | O=C(OCCN1CCCC1)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | |||
| 26987 | 1955 | 32 | None | -39 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | |||
| 6063 | 1955 | 32 | None | -39 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | |||
| 671 | 1955 | 32 | None | -39 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | |||
| CHEMBL1626 | 1955 | 32 | None | -39 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | |||
| DB00283 | 1955 | 32 | None | -39 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | |||
| 5284632 | 139685 | 10 | None | -5 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 392 | 4 | 1 | 3 | 3.8 | O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1 | 10.1021/acs.jmedchem.9b02100 | |||
| CHEMBL1888176 | 139685 | 10 | None | -5 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 392 | 4 | 1 | 3 | 3.8 | O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1 | 10.1021/acs.jmedchem.9b02100 | |||
| DB00209 | 139685 | 10 | None | -5 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 392 | 4 | 1 | 3 | 3.8 | O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1 | 10.1021/acs.jmedchem.9b02100 | |||
| 23983764 | 24622 | 0 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 217 | 3 | 0 | 5 | 1.3 | Cc1nccn1CC#CCOc1ccon1 | 10.1016/j.bmc.2007.12.036 | |||
| CHEMBL1162116 | 24622 | 0 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 217 | 3 | 0 | 5 | 1.3 | Cc1nccn1CC#CCOc1ccon1 | 10.1016/j.bmc.2007.12.036 | |||
| 100 | 8289 | 46 | None | -3 | 34 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | |||
| 2637 | 8289 | 46 | None | -3 | 34 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | |||
| 5452 | 8289 | 46 | None | -3 | 34 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | |||
| CHEMBL479 | 8289 | 46 | None | -3 | 34 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | |||
| DB00679 | 8289 | 46 | None | -3 | 34 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | |||
| 171356451 | 386289 | 0 | None | -7 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 945 | 20 | 2 | 5 | 13.3 | CN1/C(=C/C=C/C=C/C2=[N+](CCCCCC(=O)NCCCCCCN3CCC(COC(=O)Nc4ccc(F)cc4-c4ccc(F)c(Cl)c4)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acs.jmedchem.2c01376 | |||
| CHEMBL5273907 | 386289 | 0 | None | -7 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 945 | 20 | 2 | 5 | 13.3 | CN1/C(=C/C=C/C=C/C2=[N+](CCCCCC(=O)NCCCCCCN3CCC(COC(=O)Nc4ccc(F)cc4-c4ccc(F)c(Cl)c4)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acs.jmedchem.2c01376 | |||
| 155518181 | 334816 | 0 | None | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 404 | 4 | 0 | 3 | 5.2 | O=C(OCc1ccc(Cl)c(Cl)c1)N(c1ccccc1)C1CN2CCC1CC2 | 10.1016/j.bmcl.2018.12.022 | |||
| CHEMBL4446039 | 334816 | 0 | None | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 404 | 4 | 0 | 3 | 5.2 | O=C(OCc1ccc(Cl)c(Cl)c1)N(c1ccccc1)C1CN2CCC1CC2 | 10.1016/j.bmcl.2018.12.022 | |||
| 155535972 | 336647 | 0 | None | 1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 356 | 5 | 0 | 3 | 4.1 | CN1CCC(OC(=O)N(CCc2ccc(F)cc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2018.12.022 | |||
| CHEMBL4472832 | 336647 | 0 | None | 1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 356 | 5 | 0 | 3 | 4.1 | CN1CCC(OC(=O)N(CCc2ccc(F)cc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2018.12.022 | |||
| 71575447 | 177081 | 0 | None | 4 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 363 | 5 | 0 | 4 | 3.5 | CN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc3c(c2)CCO3)C1 | 10.1021/jm301774u | |||
| CHEMBL2312361 | 177081 | 0 | None | 4 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 363 | 5 | 0 | 4 | 3.5 | CN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc3c(c2)CCO3)C1 | 10.1021/jm301774u | |||
| 14172 | 5440 | 3 | None | -1737 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 503 | 4 | 3 | 3 | 6.3 | C1[C@@H]2CNC[C@H]1C2(C3=CC=C(C=C3)C4=C5C=CC(=CC5=CC(=C4)C(=O)O)C6=CC=C(C=C6)C(F)(F)F)O | 10.1021/acs.jmedchem.3c00664 | |||
| 171378581 | 5440 | 3 | None | -1737 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 503 | 4 | 3 | 3 | 6.3 | C1[C@@H]2CNC[C@H]1C2(C3=CC=C(C=C3)C4=C5C=CC(=CC5=CC(=C4)C(=O)O)C6=CC=C(C=C6)C(F)(F)F)O | 10.1021/acs.jmedchem.3c00664 | |||
| CHEMBL5399275 | 5440 | 3 | None | -1737 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 503 | 4 | 3 | 3 | 6.3 | C1[C@@H]2CNC[C@H]1C2(C3=CC=C(C=C3)C4=C5C=CC(=CC5=CC(=C4)C(=O)O)C6=CC=C(C=C6)C(F)(F)F)O | 10.1021/acs.jmedchem.3c00664 | |||
| 164610746 | 371671 | 0 | None | -2344 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 888 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | |||
| 164621305 | 371671 | 0 | None | -2344 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 888 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | |||
| 164623076 | 371671 | 0 | None | -2344 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 888 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | |||
| CHEMBL5028038 | 371671 | 0 | None | -2344 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 888 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | |||
| CHEMBL5028642 | 371671 | 0 | None | -2344 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 888 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | |||
| CHEMBL5028732 | 371671 | 0 | None | -2344 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 888 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | |||
| 11012712 | 120622 | 2 | None | -5 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 322 | 6 | 0 | 3 | 4.2 | COc1ccc2c(c1)CC(CCN(C)C)=C2C(C)c1ccccn1 | 10.1021/jm020895l | |||
| CHEMBL167027 | 120622 | 2 | None | -5 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 322 | 6 | 0 | 3 | 4.2 | COc1ccc2c(c1)CC(CCN(C)C)=C2C(C)c1ccccn1 | 10.1021/jm020895l | |||
| 137644962 | 314364 | 0 | None | -301 | 8 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 363 | 6 | 0 | 3 | 3.2 | O=C1CCc2ccccc2N1CCCN1CCN(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | |||
| CHEMBL4091058 | 314364 | 0 | None | -301 | 8 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 363 | 6 | 0 | 3 | 3.2 | O=C1CCc2ccccc2N1CCCN1CCN(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | |||
| 191 | 833 | 62 | None | -32 | 26 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | |||
| 201 | 833 | 62 | None | -32 | 26 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | |||
| 2170 | 833 | 62 | None | -32 | 26 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | |||
| CHEMBL1113 | 833 | 62 | None | -32 | 26 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | |||
| DB00543 | 833 | 62 | None | -32 | 26 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | |||
| 164617895 | 371728 | 0 | None | -3311 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 931 | 24 | 10 | 13 | -0.5 | CC(=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)N[C@H](CCCN)C(=O)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | |||
| CHEMBL5028466 | 371728 | 0 | None | -3311 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 931 | 24 | 10 | 13 | -0.5 | CC(=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)N[C@H](CCCN)C(=O)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | |||
| 156012936 | 352211 | 0 | None | -9 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](c2ccccc2)O1 | 10.1021/acs.jmedchem.9b02100 | |||
| CHEMBL4650969 | 352211 | 0 | None | -9 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](c2ccccc2)O1 | 10.1021/acs.jmedchem.9b02100 | |||
| 156009611 | 352172 | 0 | None | -2 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 360 | 5 | 0 | 3 | 3.0 | C[N+](C)(C)C[C@@H]1CO[C@H](c2ccc([S+]([O-])c3ccccc3)cc2)CO1 | 10.1021/acs.jmedchem.9b02100 | |||
| CHEMBL4650698 | 352172 | 0 | None | -2 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 360 | 5 | 0 | 3 | 3.0 | C[N+](C)(C)C[C@@H]1CO[C@H](c2ccc([S+]([O-])c3ccccc3)cc2)CO1 | 10.1021/acs.jmedchem.9b02100 | |||
| 156014813 | 352199 | 0 | None | 1 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 376 | 5 | 0 | 4 | 2.7 | C[N+](C)(C)C[C@@H]1COC[C@H](c2ccc(S(=O)(=O)c3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | |||
| CHEMBL4650897 | 352199 | 0 | None | 1 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 376 | 5 | 0 | 4 | 2.7 | C[N+](C)(C)C[C@@H]1COC[C@H](c2ccc(S(=O)(=O)c3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | |||
| 156015730 | 352231 | 0 | None | -2 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 360 | 5 | 0 | 3 | 3.0 | C[N+](C)(C)C[C@@H]1COC[C@H](c2ccc([S+]([O-])c3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | |||
| CHEMBL4651081 | 352231 | 0 | None | -2 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 360 | 5 | 0 | 3 | 3.0 | C[N+](C)(C)C[C@@H]1COC[C@H](c2ccc([S+]([O-])c3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | |||
| 135430667 | 19297 | 0 | None | -100 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 402 | 2 | 1 | 6 | 4.3 | COc1ccc2c(c1)CCN1Cc3c(ccc4[nH]c(C)c(-c5nc(C)no5)c34)OC21 | 10.1021/jm011116o | |||
| CHEMBL104803 | 19297 | 0 | None | -100 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 402 | 2 | 1 | 6 | 4.3 | COc1ccc2c(c1)CCN1Cc3c(ccc4[nH]c(C)c(-c5nc(C)no5)c34)OC21 | 10.1021/jm011116o | |||
| 1893 | 424177 | 48 | None | -2 | 8 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 567 | 9 | 4 | 6 | 4.7 | Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C | nan | |||
| 64143 | 424177 | 48 | None | -2 | 8 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 567 | 9 | 4 | 6 | 4.7 | Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C | nan | |||
| CHEMBL584 | 424177 | 48 | None | -2 | 8 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 567 | 9 | 4 | 6 | 4.7 | Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C | nan | |||
| DB00220 | 424177 | 48 | None | -2 | 8 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 567 | 9 | 4 | 6 | 4.7 | Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C | nan | |||
| 10125445 | 157687 | 0 | None | -19 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 286 | 4 | 1 | 4 | 3.6 | Cc1c(NC2CC2)nc(C2CC2)nc1N1CCCCCC1 | 10.1016/j.bmcl.2006.01.006 | |||
| CHEMBL205654 | 157687 | 0 | None | -19 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 286 | 4 | 1 | 4 | 3.6 | Cc1c(NC2CC2)nc(C2CC2)nc1N1CCCCCC1 | 10.1016/j.bmcl.2006.01.006 | |||
| 9809330 | 234933 | 0 | None | -575 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 552 | 16 | 0 | 13 | 2.3 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0301235 | |||
| CHEMBL335542 | 234933 | 0 | None | -575 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 552 | 16 | 0 | 13 | 2.3 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0301235 | |||
| 9809330 | 234933 | 0 | None | -575 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 552 | 16 | 0 | 13 | 2.3 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0606995 | |||
| CHEMBL335542 | 234933 | 0 | None | -575 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 552 | 16 | 0 | 13 | 2.3 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0606995 | |||
| 71575452 | 177083 | 0 | None | 1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 377 | 6 | 0 | 4 | 3.9 | CN1CCC(c2ccccc2)=C(C(=O)OCCCc2ccc3c(c2)CCO3)C1 | 10.1021/jm301774u | |||
| CHEMBL2312366 | 177083 | 0 | None | 1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 377 | 6 | 0 | 4 | 3.9 | CN1CCC(c2ccccc2)=C(C(=O)OCCCc2ccc3c(c2)CCO3)C1 | 10.1021/jm301774u | |||
| 10226457 | 27237 | 0 | None | -158 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 423 | 15 | 0 | 7 | 5.1 | CC(=O)OCCCCCCCCCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | |||
| CHEMBL1189471 | 27237 | 0 | None | -158 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 423 | 15 | 0 | 7 | 5.1 | CC(=O)OCCCCCCCCCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | |||
| 145963288 | 317155 | 0 | None | -3 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 379 | 5 | 0 | 4 | 3.5 | c1ccc(C2(c3ccccc3)COC[C@@H](CO[C@H]3CN4CCC3CC4)O2)cc1 | 10.1016/j.ejmech.2017.06.004 | |||
| CHEMBL4129723 | 317155 | 0 | None | -3 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 379 | 5 | 0 | 4 | 3.5 | c1ccc(C2(c3ccccc3)COC[C@@H](CO[C@H]3CN4CCC3CC4)O2)cc1 | 10.1016/j.ejmech.2017.06.004 | |||
| 16094791 | 164669 | 0 | None | -15 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 443 | 13 | 0 | 12 | 1.6 | COc1nsnc1OCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | |||
| CHEMBL218755 | 164669 | 0 | None | -15 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 443 | 13 | 0 | 12 | 1.6 | COc1nsnc1OCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | |||
| 156013387 | 352176 | 0 | None | -7 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@@H]1CO[C@@H](C(c2ccccc2)c2ccccc2)CO1 | 10.1021/acs.jmedchem.9b02100 | |||
| CHEMBL4650725 | 352176 | 0 | None | -7 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@@H]1CO[C@@H](C(c2ccccc2)c2ccccc2)CO1 | 10.1021/acs.jmedchem.9b02100 | |||
| 24894514 | 346867 | 0 | None | -2 | 5 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 151 | 1 | 0 | 2 | 2.0 | CN1CCC[C@H]1c1ccco1 | 10.1021/jm800145d | |||
| CHEMBL450729 | 346867 | 0 | None | -2 | 5 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 151 | 1 | 0 | 2 | 2.0 | CN1CCC[C@H]1c1ccco1 | 10.1021/jm800145d | |||
| 46227411 | 38041 | 0 | None | -3 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1CO[C@H](C[N+](C)(C)C)CO1 | 10.1016/j.bmc.2009.10.027 | |||
| CHEMBL1198027 | 38041 | 0 | None | -3 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1CO[C@H](C[N+](C)(C)C)CO1 | 10.1016/j.bmc.2009.10.027 | |||
| 24809738 | 26163 | 0 | None | -125 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 209 | 3 | 0 | 3 | 1.1 | Cc1cc(OCC#CC[N+](C)(C)C)no1 | 10.1016/j.bmc.2007.09.003 | |||
| CHEMBL1182466 | 26163 | 0 | None | -125 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 209 | 3 | 0 | 3 | 1.1 | Cc1cc(OCC#CC[N+](C)(C)C)no1 | 10.1016/j.bmc.2007.09.003 | |||
| 11610526 | 4648 | 42 | None | -186 | 7 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 377 | 4 | 1 | 4 | 3.3 | CN1CCC(CC1)C(=O)c1cccc(n1)NC(=O)c1c(F)cc(cc1F)F | 10.6019/CHEMBL5442175 | |||
| 3928 | 4648 | 42 | None | -186 | 7 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 377 | 4 | 1 | 4 | 3.3 | CN1CCC(CC1)C(=O)c1cccc(n1)NC(=O)c1c(F)cc(cc1F)F | 10.6019/CHEMBL5442175 | |||
| 5351 | 4648 | 42 | None | -186 | 7 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 377 | 4 | 1 | 4 | 3.3 | CN1CCC(CC1)C(=O)c1cccc(n1)NC(=O)c1c(F)cc(cc1F)F | 10.6019/CHEMBL5442175 | |||
| CHEMBL3039520 | 4648 | 42 | None | -186 | 7 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 377 | 4 | 1 | 4 | 3.3 | CN1CCC(CC1)C(=O)c1cccc(n1)NC(=O)c1c(F)cc(cc1F)F | 10.6019/CHEMBL5442175 | |||
| DB11732 | 4648 | 42 | None | -186 | 7 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 377 | 4 | 1 | 4 | 3.3 | CN1CCC(CC1)C(=O)c1cccc(n1)NC(=O)c1c(F)cc(cc1F)F | 10.6019/CHEMBL5442175 | |||
| 2774 | 8415 | 68 | None | -3 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | nan | |||
| 5593 | 8415 | 68 | None | -3 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | nan | |||
| 688595 | 8415 | 68 | None | -3 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | nan | |||
| 7319 | 8415 | 68 | None | -3 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | nan | |||
| CHEMBL1200604 | 8415 | 68 | None | -3 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | nan | |||
| CHEMBL1457550 | 8415 | 68 | None | -3 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | nan | |||
| DB00809 | 8415 | 68 | None | -3 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | nan | |||
| DB01199 | 8415 | 68 | None | -3 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | nan | |||
| 155511112 | 334098 | 0 | None | -1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 394 | 7 | 0 | 4 | 4.4 | COc1ccc(CCCOC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1 | 10.1016/j.bmcl.2018.12.022 | |||
| CHEMBL4435123 | 334098 | 0 | None | -1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 394 | 7 | 0 | 4 | 4.4 | COc1ccc(CCCOC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1 | 10.1016/j.bmcl.2018.12.022 | |||
| 155565770 | 349617 | 0 | None | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 410 | 7 | 0 | 5 | 4.0 | COc1ccc(CCN(C(=O)OC2CN3CCC2CC3)c2ccccc2)cc1OC | 10.1016/j.bmcl.2018.12.022 | |||
| CHEMBL4580590 | 349617 | 0 | None | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 410 | 7 | 0 | 5 | 4.0 | COc1ccc(CCN(C(=O)OC2CN3CCC2CC3)c2ccccc2)cc1OC | 10.1016/j.bmcl.2018.12.022 | |||
| 12739458 | 138841 | 0 | None | -3 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 227 | 2 | 0 | 1 | 3.5 | c1ccc(CN2C3CC4CC(C3)CC2C4)cc1 | 10.1016/j.bmcl.2011.07.028 | |||
| CHEMBL1852447 | 138841 | 0 | None | -3 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 227 | 2 | 0 | 1 | 3.5 | c1ccc(CN2C3CC4CC(C3)CC2C4)cc1 | 10.1016/j.bmcl.2011.07.028 | |||
| 135907764 | 222415 | 15 | None | None | None | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 319 | 4 | 1 | 5 | 3.5 | N#Cc1c(O)nc(SCc2cccc(F)c2F)nc1C1CC1 | 10.6019/CHEMBL5442175 | |||
| CHEMBL3310783 | 222415 | 15 | None | None | None | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 319 | 4 | 1 | 5 | 3.5 | N#Cc1c(O)nc(SCc2cccc(F)c2F)nc1C1CC1 | 10.6019/CHEMBL5442175 | |||
| 11013666 | 122211 | 1 | None | -1 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 354 | 6 | 0 | 2 | 5.2 | CN(C)CCC1=C(C(c2ccccc2)c2ccccn2)c2ccccc2C1 | 10.1021/jm020895l | |||
| CHEMBL171102 | 122211 | 1 | None | -1 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 354 | 6 | 0 | 2 | 5.2 | CN(C)CCC1=C(C(c2ccccc2)c2ccccn2)c2ccccc2C1 | 10.1021/jm020895l | |||
| 44274400 | 199173 | 0 | None | -3 | 5 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 319 | 5 | 1 | 3 | 2.7 | CN(C)CCNC(=O)C1=C/C(=C\c2cccnc2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | |||
| CHEMBL279520 | 199173 | 0 | None | -3 | 5 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 319 | 5 | 1 | 3 | 2.7 | CN(C)CCNC(=O)C1=C/C(=C\c2cccnc2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | |||
| 11759058 | 239474 | 0 | None | -1 | 5 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 321 | 6 | 1 | 3 | 2.3 | CN(C)CCNC(=O)C1=C(Cc2cccnc2)c2ccccc2C1 | 10.1021/jm020895l | |||
| CHEMBL355851 | 239474 | 0 | None | -1 | 5 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 321 | 6 | 1 | 3 | 2.3 | CN(C)CCNC(=O)C1=C(Cc2cccnc2)c2ccccc2C1 | 10.1021/jm020895l | |||
| 46227487 | 38047 | 0 | None | -1 | 4 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 216 | 2 | 0 | 2 | 1.7 | CC1(C)OC[C@@H](C[N+](C)(C)C)OC1(C)C | 10.1016/j.bmc.2009.10.027 | |||
| CHEMBL1198047 | 38047 | 0 | None | -1 | 4 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 216 | 2 | 0 | 2 | 1.7 | CC1(C)OC[C@@H](C[N+](C)(C)C)OC1(C)C | 10.1016/j.bmc.2009.10.027 | |||
| 70682037 | 157546 | 24 | None | -107 | 9 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 495 | 5 | 0 | 8 | 3.6 | Cc1cn2cc(CC(=O)N3CCC4(CC3)CN(Cc3ccc(-n5nccn5)cc3Cl)C4)nc2s1 | 10.6019/CHEMBL5442175 | |||
| CHEMBL2048820 | 157546 | 24 | None | -107 | 9 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 495 | 5 | 0 | 8 | 3.6 | Cc1cn2cc(CC(=O)N3CCC4(CC3)CN(Cc3ccc(-n5nccn5)cc3Cl)C4)nc2s1 | 10.6019/CHEMBL5442175 | |||
| 132060461 | 387774 | 0 | None | -331 | 19 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 421 | 6 | 0 | 4 | 4.9 | CCCN1CCN(c2ccc3c(c2)C(N(C)C(=O)OCc2ccccc2)CCC3)CC1 | 10.1016/j.ejmech.2022.114696 | |||
| CHEMBL5403404 | 387774 | 0 | None | -331 | 19 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 421 | 6 | 0 | 4 | 4.9 | CCCN1CCN(c2ccc3c(c2)C(N(C)C(=O)OCc2ccccc2)CCC3)CC1 | 10.1016/j.ejmech.2022.114696 | |||
| 11808946 | 239272 | 0 | None | -6 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 306 | 6 | 0 | 2 | 4.5 | CCC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | |||
| CHEMBL354678 | 239272 | 0 | None | -6 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 306 | 6 | 0 | 2 | 4.5 | CCC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | |||
| 164616706 | 371718 | 0 | None | -1148 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 660 | 14 | 6 | 8 | 1.7 | N=C(N)NCCC[C@@H](N)C(=O)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | |||
| CHEMBL5028391 | 371718 | 0 | None | -1148 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 660 | 14 | 6 | 8 | 1.7 | N=C(N)NCCC[C@@H](N)C(=O)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | |||
| 44422692 | 26127 | 0 | None | -7 | 5 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | CC1COCC(C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2007.11.073 | |||
| CHEMBL1182296 | 26127 | 0 | None | -7 | 5 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | CC1COCC(C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2007.11.073 | |||
| 44446841 | 26607 | 0 | None | -4 | 4 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmc.2009.10.027 | |||
| CHEMBL1185281 | 26607 | 0 | None | -4 | 4 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmc.2009.10.027 | |||
| 164673826 | 375210 | 16 | None | None | None | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 411 | 5 | 0 | 6 | 2.5 | Cn1ccnc1SC[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@@H]1F | 10.1021/acs.jmedchem.2c00192 | |||
| CHEMBL5204021 | 375210 | 16 | None | None | None | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 411 | 5 | 0 | 6 | 2.5 | Cn1ccnc1SC[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@@H]1F | 10.1021/acs.jmedchem.2c00192 | |||
| 24897670 | 221293 | 30 | None | None | None | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 488 | 8 | 1 | 6 | 6.3 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc([C@H](CC(=O)O)c2ccon2)cc1 | 10.6019/CHEMBL5442175 | |||
| CHEMBL3287574 | 221293 | 30 | None | None | None | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 488 | 8 | 1 | 6 | 6.3 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc([C@H](CC(=O)O)c2ccon2)cc1 | 10.6019/CHEMBL5442175 | |||
| 44437256 | 26665 | 0 | None | -1 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 282 | 4 | 0 | 4 | 2.8 | C(#CCN1CCCC1)COc1cc(-c2ccccc2)on1 | 10.1016/j.bmc.2007.09.003 | |||
| CHEMBL1185707 | 26665 | 0 | None | -1 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 282 | 4 | 0 | 4 | 2.8 | C(#CCN1CCCC1)COc1cc(-c2ccccc2)on1 | 10.1016/j.bmc.2007.09.003 | |||
| 156015254 | 352202 | 0 | None | -15 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 984 | 19 | 2 | 7 | 10.6 | C[N+]1=C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | |||
| CHEMBL4650938 | 352202 | 0 | None | -15 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 984 | 19 | 2 | 7 | 10.6 | C[N+]1=C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | |||
| 156017826 | 351788 | 0 | None | -3 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 303 | 4 | 0 | 3 | 3.4 | CN(C)C[C@@H]1COC[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | |||
| CHEMBL4644285 | 351788 | 0 | None | -3 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 303 | 4 | 0 | 3 | 3.4 | CN(C)C[C@@H]1COC[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | |||
| 44448496 | 26186 | 0 | None | 1 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 401 | 7 | 1 | 2 | 4.7 | C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCN(c2ccccc2)CC1 | 10.1016/j.bmcl.2008.03.061 | |||
| CHEMBL1182637 | 26186 | 0 | None | 1 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 401 | 7 | 1 | 2 | 4.7 | C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCN(c2ccccc2)CC1 | 10.1016/j.bmcl.2008.03.061 | |||
| 300 | 5101 | 11 | None | -1 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 154 | 2 | 0 | 1 | 1.8 | Cc1ccc(o1)C[N+](C)(C)C | 10.1021/jm800145d | |||
| 4141 | 5101 | 11 | None | -1 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 154 | 2 | 0 | 1 | 1.8 | Cc1ccc(o1)C[N+](C)(C)C | 10.1021/jm800145d | |||
| CHEMBL92387 | 5101 | 11 | None | -1 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 154 | 2 | 0 | 1 | 1.8 | Cc1ccc(o1)C[N+](C)(C)C | 10.1021/jm800145d | |||
| 2551 | 1644 | 11 | None | -363 | 11 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0510878 | |||
| 298 | 1644 | 11 | None | -363 | 11 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0510878 | |||
| 488 | 1644 | 11 | None | -363 | 11 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0510878 | |||
| 5831 | 1644 | 11 | None | -363 | 11 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0510878 | |||
| CHEMBL965 | 1644 | 11 | None | -363 | 11 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0510878 | |||
| DB00411 | 1644 | 11 | None | -363 | 11 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0510878 | |||
| 2551 | 1644 | 11 | None | -363 | 11 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2007.11.073 | |||
| 298 | 1644 | 11 | None | -363 | 11 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2007.11.073 | |||
| 488 | 1644 | 11 | None | -363 | 11 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2007.11.073 | |||
| 5831 | 1644 | 11 | None | -363 | 11 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2007.11.073 | |||
| CHEMBL965 | 1644 | 11 | None | -363 | 11 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2007.11.073 | |||
| DB00411 | 1644 | 11 | None | -363 | 11 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2007.11.073 | |||
| 2551 | 1644 | 11 | None | -363 | 11 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm800145d | |||
| 298 | 1644 | 11 | None | -363 | 11 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm800145d | |||
| 488 | 1644 | 11 | None | -363 | 11 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm800145d | |||
| 5831 | 1644 | 11 | None | -363 | 11 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm800145d | |||
| CHEMBL965 | 1644 | 11 | None | -363 | 11 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm800145d | |||
| DB00411 | 1644 | 11 | None | -363 | 11 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm800145d | |||
| 2551 | 1644 | 11 | None | -363 | 11 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2009.10.027 | |||
| 298 | 1644 | 11 | None | -363 | 11 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2009.10.027 | |||
| 488 | 1644 | 11 | None | -363 | 11 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2009.10.027 | |||
| 5831 | 1644 | 11 | None | -363 | 11 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2009.10.027 | |||
| CHEMBL965 | 1644 | 11 | None | -363 | 11 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2009.10.027 | |||
| DB00411 | 1644 | 11 | None | -363 | 11 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2009.10.027 | |||
| 2551 | 1644 | 11 | None | -363 | 11 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2014.06.020 | |||
| 298 | 1644 | 11 | None | -363 | 11 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2014.06.020 | |||
| 488 | 1644 | 11 | None | -363 | 11 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2014.06.020 | |||
| 5831 | 1644 | 11 | None | -363 | 11 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2014.06.020 | |||
| CHEMBL965 | 1644 | 11 | None | -363 | 11 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2014.06.020 | |||
| DB00411 | 1644 | 11 | None | -363 | 11 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2014.06.020 | |||
| 122194369 | 252052 | 0 | None | -1 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 383 | 7 | 0 | 5 | 3.5 | COc1ccc(CCOC(=O)C2(c3ccccc3)CCN(C)CC2)cc1OC | 10.1016/j.bmcl.2015.10.029 | |||
| CHEMBL3629529 | 252052 | 0 | None | -1 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 383 | 7 | 0 | 5 | 3.5 | COc1ccc(CCOC(=O)C2(c3ccccc3)CCN(C)CC2)cc1OC | 10.1016/j.bmcl.2015.10.029 | |||
| 122194372 | 252055 | 0 | None | -2 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 352 | 6 | 1 | 3 | 3.0 | COc1ccc(CCNC(=O)C2(c3ccccc3)CCN(C)CC2)cc1 | 10.1016/j.bmcl.2015.10.029 | |||
| CHEMBL3629532 | 252055 | 0 | None | -2 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 352 | 6 | 1 | 3 | 3.0 | COc1ccc(CCNC(=O)C2(c3ccccc3)CCN(C)CC2)cc1 | 10.1016/j.bmcl.2015.10.029 | |||
| 44627740 | 404411 | 0 | None | -5 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.9 | CN1CCCC1c1ccc(C(O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | |||
| CHEMBL583051 | 404411 | 0 | None | -5 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.9 | CN1CCCC1c1ccc(C(O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | |||
| 2683 | 202943 | 22 | None | -1 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | |||
| CHEMBL305906 | 202943 | 22 | None | -1 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | |||
| DB11073 | 202943 | 22 | None | -1 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | |||
| 171346725 | 386786 | 0 | None | -11 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 1052 | 21 | 1 | 13 | 10.0 | CN(C)c1ccc2c(-c3ccc(-c4cn(CCCCCn5cc(CCCCCCN6CCC(COC(=O)Nc7ccc(F)cc7-c7ccc(F)c(Cl)c7)CC6)nn5)nn4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1 | 10.1021/acs.jmedchem.2c01376 | |||
| CHEMBL5285607 | 386786 | 0 | None | -11 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 1052 | 21 | 1 | 13 | 10.0 | CN(C)c1ccc2c(-c3ccc(-c4cn(CCCCCn5cc(CCCCCCN6CCC(COC(=O)Nc7ccc(F)cc7-c7ccc(F)c(Cl)c7)CC6)nn5)nn4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1 | 10.1021/acs.jmedchem.2c01376 | |||
| 155550436 | 350467 | 0 | None | -891 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 852 | 20 | 6 | 10 | 3.6 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
| CHEMBL4596780 | 350467 | 0 | None | -891 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 852 | 20 | 6 | 10 | 3.6 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
| 162654942 | 367005 | 0 | None | -79 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 833 | 17 | 2 | 7 | 8.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1039/d0md00137f | |||
| CHEMBL4802913 | 367005 | 0 | None | -79 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 833 | 17 | 2 | 7 | 8.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1039/d0md00137f | |||
| 56663451 | 137766 | 0 | None | None | None | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 260 | 1 | 3 | 4 | 2.6 | Nc1nc(Cl)ncc1-c1c[nH]c2cccc(O)c12 | 10.1016/j.bmc.2011.08.033 | |||
| CHEMBL1829961 | 137766 | 0 | None | None | None | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 260 | 1 | 3 | 4 | 2.6 | Nc1nc(Cl)ncc1-c1c[nH]c2cccc(O)c12 | 10.1016/j.bmc.2011.08.033 | |||
| 155552923 | 350276 | 0 | None | -15 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 739 | 17 | 6 | 8 | 4.0 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
| CHEMBL4595245 | 350276 | 0 | None | -15 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 739 | 17 | 6 | 8 | 4.0 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
| 44448646 | 26182 | 0 | None | -3 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 324 | 6 | 1 | 1 | 4.3 | C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCCCC1 | 10.1016/j.bmcl.2008.03.061 | |||
| CHEMBL1182612 | 26182 | 0 | None | -3 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 324 | 6 | 1 | 1 | 4.3 | C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCCCC1 | 10.1016/j.bmcl.2008.03.061 | |||
| 155551903 | 350424 | 0 | None | -89 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 462 | 8 | 2 | 4 | 4.3 | CCC(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
| CHEMBL4596435 | 350424 | 0 | None | -89 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 462 | 8 | 2 | 4 | 4.3 | CCC(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
| 487 | 7383 | 17 | None | -1905 | 29 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.6019/CHEMBL5442175 | |||
| 60602 | 7383 | 17 | None | -1905 | 29 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.6019/CHEMBL5442175 | |||
| CHEMBL405355 | 7383 | 17 | None | -1905 | 29 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.6019/CHEMBL5442175 | |||
| DB09239 | 7383 | 17 | None | -1905 | 29 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.6019/CHEMBL5442175 | |||
| 9937474 | 335021 | 0 | None | -199 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 551 | 6 | 1 | 5 | 5.3 | Nc1ccccc1C(=O)N1CCC(N2CCC(Cc3ccc(S(=O)(=O)c4cccc(Cl)c4)cc3)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | |||
| CHEMBL4448933 | 335021 | 0 | None | -199 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 551 | 6 | 1 | 5 | 5.3 | Nc1ccccc1C(=O)N1CCC(N2CCC(Cc3ccc(S(=O)(=O)c4cccc(Cl)c4)cc3)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | |||
| 11759212 | 120684 | 0 | None | -891 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 4.8 | CC(C1=C(CCN(C)C)Cc2cc(Cl)ccc21)c1ccccn1 | 10.1021/jm020895l | |||
| CHEMBL167223 | 120684 | 0 | None | -891 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 4.8 | CC(C1=C(CCN(C)C)Cc2cc(Cl)ccc21)c1ccccn1 | 10.1021/jm020895l | |||
| 155559741 | 350256 | 0 | None | -40 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 739 | 17 | 6 | 8 | 4.0 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
| CHEMBL4595125 | 350256 | 0 | None | -40 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 739 | 17 | 6 | 8 | 4.0 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
| 71575652 | 177077 | 0 | None | -1 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 381 | 5 | 0 | 4 | 3.6 | CN1CCC(c2ccccc2F)=C(C(=O)OCCc2ccc3c(c2)CCO3)C1 | 10.1021/jm301774u | |||
| CHEMBL2312352 | 177077 | 0 | None | -1 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 381 | 5 | 0 | 4 | 3.6 | CN1CCC(c2ccccc2F)=C(C(=O)OCCc2ccc3c(c2)CCO3)C1 | 10.1021/jm301774u | |||
| 71575551 | 177088 | 0 | None | 3 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 365 | 6 | 0 | 4 | 3.9 | COc1ccc(CCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1C | 10.1021/jm301774u | |||
| CHEMBL2312371 | 177088 | 0 | None | 3 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 365 | 6 | 0 | 4 | 3.9 | COc1ccc(CCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1C | 10.1021/jm301774u | |||
| 1210 | 1893 | 53 | None | -14 | 16 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 1213 | 1893 | 53 | None | -14 | 16 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 2725 | 1893 | 53 | None | -14 | 16 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 33036 | 1893 | 53 | None | -14 | 16 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 4411 | 1893 | 53 | None | -14 | 16 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 5281070 | 1893 | 53 | None | -14 | 16 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 616 | 1893 | 53 | None | -14 | 16 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 6976 | 1893 | 53 | None | -14 | 16 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 716121 | 1893 | 53 | None | -14 | 16 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 90475904 | 1893 | 53 | None | -14 | 16 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| CHEMBL1200927 | 1893 | 53 | None | -14 | 16 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| CHEMBL1201353 | 1893 | 53 | None | -14 | 16 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| CHEMBL1554789 | 1893 | 53 | None | -14 | 16 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| CHEMBL505 | 1893 | 53 | None | -14 | 16 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| DB01114 | 1893 | 53 | None | -14 | 16 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| DB09555 | 1893 | 53 | None | -14 | 16 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| DB13679 | 1893 | 53 | None | -14 | 16 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 177372531 | 393650 | 0 | None | -1 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 336 | 3 | 0 | 3 | 4.6 | CN1[C@@H]2CC[C@H]1C[C@H](OC(=O)N(c1ccccc1)c1ccccc1)C2 | 10.1016/j.ejmech.2023.115891 | |||
| CHEMBL5641756 | 393650 | 0 | None | -1 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 336 | 3 | 0 | 3 | 4.6 | CN1[C@@H]2CC[C@H]1C[C@H](OC(=O)N(c1ccccc1)c1ccccc1)C2 | 10.1016/j.ejmech.2023.115891 | |||
| 44437249 | 26146 | 0 | None | -3 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 235 | 3 | 0 | 3 | 1.6 | Cc1cc(OCC#CC[N+]2(C)CCCC2)no1 | 10.1016/j.bmc.2007.09.003 | |||
| CHEMBL1182436 | 26146 | 0 | None | -3 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 235 | 3 | 0 | 3 | 1.6 | Cc1cc(OCC#CC[N+]2(C)CCCC2)no1 | 10.1016/j.bmc.2007.09.003 | |||
| 10104 | 7246 | 46 | None | -91 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 292 | 5 | 0 | 2 | 4.1 | CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C | 10.1021/jm020895l | |||
| 12963076 | 7246 | 46 | None | -91 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 292 | 5 | 0 | 2 | 4.1 | CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C | 10.1021/jm020895l | |||
| 21855 | 7246 | 46 | None | -91 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 292 | 5 | 0 | 2 | 4.1 | CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C | 10.1021/jm020895l | |||
| 6604866 | 7246 | 46 | None | -91 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 292 | 5 | 0 | 2 | 4.1 | CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C | 10.1021/jm020895l | |||
| 903 | 7246 | 46 | None | -91 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 292 | 5 | 0 | 2 | 4.1 | CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C | 10.1021/jm020895l | |||
| CHEMBL1493369 | 7246 | 46 | None | -91 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 292 | 5 | 0 | 2 | 4.1 | CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C | 10.1021/jm020895l | |||
| CHEMBL22108 | 7246 | 46 | None | -91 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 292 | 5 | 0 | 2 | 4.1 | CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C | 10.1021/jm020895l | |||
| CHEMBL564226 | 7246 | 46 | None | -91 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 292 | 5 | 0 | 2 | 4.1 | CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C | 10.1021/jm020895l | |||
| DB08801 | 7246 | 46 | None | -91 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 292 | 5 | 0 | 2 | 4.1 | CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C | 10.1021/jm020895l | |||
| 137655636 | 314602 | 0 | None | -354 | 8 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 376 | 7 | 0 | 2 | 4.7 | O=C1CCc2ccccc2N1CCCN1CCC(CCc2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | |||
| CHEMBL4093527 | 314602 | 0 | None | -354 | 8 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 376 | 7 | 0 | 2 | 4.7 | O=C1CCc2ccccc2N1CCCN1CCC(CCc2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | |||
| 44593621 | 384959 | 0 | None | -2 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 3.7 | CN1CCC[C@H]1[C@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | |||
| CHEMBL524061 | 384959 | 0 | None | -2 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 3.7 | CN1CCC[C@H]1[C@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | |||
| 57326237 | 158822 | 0 | None | -1 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@@H]1COC[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1021/jm2013216 | |||
| CHEMBL2078985 | 158822 | 0 | None | -1 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@@H]1COC[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1021/jm2013216 | |||
| 44448419 | 26605 | 0 | None | -1 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 580 | 16 | 2 | 2 | 7.0 | C[N+](C)(CCCC(O)(c1ccccc1)c1ccccc1)CCC[N+](C)(C)CCCC(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2008.03.061 | |||
| CHEMBL1185266 | 26605 | 0 | None | -1 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 580 | 16 | 2 | 2 | 7.0 | C[N+](C)(CCCC(O)(c1ccccc1)c1ccccc1)CCC[N+](C)(C)CCCC(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2008.03.061 | |||
| 24894515 | 350827 | 1 | None | -1 | 5 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 151 | 1 | 0 | 2 | 2.0 | CN1CCC[C@@H]1c1ccco1 | 10.1021/jm800145d | |||
| CHEMBL461502 | 350827 | 1 | None | -1 | 5 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 151 | 1 | 0 | 2 | 2.0 | CN1CCC[C@@H]1c1ccco1 | 10.1021/jm800145d | |||
| 71575223 | 177096 | 0 | None | -1 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 336 | 6 | 0 | 4 | 3.3 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccccn2)C1 | 10.1021/jm301774u | |||
| CHEMBL2312382 | 177096 | 0 | None | -1 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 336 | 6 | 0 | 4 | 3.3 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccccn2)C1 | 10.1021/jm301774u | |||
| 4841 | 139710 | 2 | None | -9 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 368 | 7 | 1 | 3 | 3.5 | CC[N+]1(CCOC(=O)C(O)(c2ccccc2)c2ccccc2)CCCCC1 | nan | |||
| CHEMBL1889399 | 139710 | 2 | None | -9 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 368 | 7 | 1 | 3 | 3.5 | CC[N+]1(CCOC(=O)C(O)(c2ccccc2)c2ccccc2)CCCCC1 | nan | |||
| 177372524 | 393588 | 0 | None | 1 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 307 | 3 | 0 | 4 | 3.5 | CN1CCCC(Oc2nc3ccccc3n2-c2ccccc2)C1 | 10.1016/j.ejmech.2023.115891 | |||
| CHEMBL5639621 | 393588 | 0 | None | 1 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 307 | 3 | 0 | 4 | 3.5 | CN1CCCC(Oc2nc3ccccc3n2-c2ccccc2)C1 | 10.1016/j.ejmech.2023.115891 | |||
| 137628879 | 316534 | 0 | None | -109 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 950 | 16 | 3 | 9 | 8.1 | CCC(=O)NC1CN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)C1 | 10.1021/acs.jmedchem.6b01892 | |||
| CHEMBL4115977 | 316534 | 0 | None | -109 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 950 | 16 | 3 | 9 | 8.1 | CCC(=O)NC1CN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)C1 | 10.1021/acs.jmedchem.6b01892 | |||
| 10871551 | 239153 | 0 | None | -7 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 340 | 6 | 0 | 2 | 5.2 | CCC(C1=C(CCN(C)C)Cc2cc(Cl)ccc21)c1ccccn1 | 10.1021/jm020895l | |||
| CHEMBL354523 | 239153 | 0 | None | -7 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 340 | 6 | 0 | 2 | 5.2 | CCC(C1=C(CCN(C)C)Cc2cc(Cl)ccc21)c1ccccn1 | 10.1021/jm020895l | |||
| 44448421 | 26606 | 0 | None | -10 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 616 | 13 | 2 | 4 | 7.8 | OC(CCCN1CCC(C2CCN(CCCC(O)(c3ccccc3)c3ccccc3)CC2)CC1)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2008.03.061 | |||
| CHEMBL1185269 | 26606 | 0 | None | -10 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 616 | 13 | 2 | 4 | 7.8 | OC(CCCN1CCC(C2CCN(CCCC(O)(c3ccccc3)c3ccccc3)CC2)CC1)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2008.03.061 | |||
| 24865895 | 193604 | 0 | None | -1 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1021/jm2013216 | |||
| CHEMBL259662 | 193604 | 0 | None | -1 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1021/jm2013216 | |||
| 44422692 | 26127 | 0 | None | -7 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | CC1COCC(C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2007.11.073 | |||
| CHEMBL1182296 | 26127 | 0 | None | -7 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | CC1COCC(C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2007.11.073 | |||
| 24865895 | 193604 | 0 | None | -1 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmc.2009.10.027 | |||
| CHEMBL259662 | 193604 | 0 | None | -1 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmc.2009.10.027 | |||
| 24865895 | 193604 | 0 | None | -1 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2014.06.020 | |||
| CHEMBL259662 | 193604 | 0 | None | -1 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2014.06.020 | |||
| 2106 | 461821 | 25 | None | -1 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 5.3 | C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1 | nan | |||
| 4746 | 461821 | 25 | None | -1 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 5.3 | C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1 | nan | |||
| CHEMBL75880 | 461821 | 25 | None | -1 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 5.3 | C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1 | nan | |||
| DB01074 | 461821 | 25 | None | -1 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 5.3 | C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1 | nan | |||
| 10104 | 7246 | 46 | None | -91 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 292 | 5 | 0 | 2 | 4.1 | CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C | 10.1016/s0960-894x(01)00186-x | |||
| 12963076 | 7246 | 46 | None | -91 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 292 | 5 | 0 | 2 | 4.1 | CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C | 10.1016/s0960-894x(01)00186-x | |||
| 21855 | 7246 | 46 | None | -91 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 292 | 5 | 0 | 2 | 4.1 | CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C | 10.1016/s0960-894x(01)00186-x | |||
| 6604866 | 7246 | 46 | None | -91 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 292 | 5 | 0 | 2 | 4.1 | CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C | 10.1016/s0960-894x(01)00186-x | |||
| 903 | 7246 | 46 | None | -91 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 292 | 5 | 0 | 2 | 4.1 | CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C | 10.1016/s0960-894x(01)00186-x | |||
| CHEMBL1493369 | 7246 | 46 | None | -91 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 292 | 5 | 0 | 2 | 4.1 | CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C | 10.1016/s0960-894x(01)00186-x | |||
| CHEMBL22108 | 7246 | 46 | None | -91 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 292 | 5 | 0 | 2 | 4.1 | CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C | 10.1016/s0960-894x(01)00186-x | |||
| CHEMBL564226 | 7246 | 46 | None | -91 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 292 | 5 | 0 | 2 | 4.1 | CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C | 10.1016/s0960-894x(01)00186-x | |||
| DB08801 | 7246 | 46 | None | -91 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 292 | 5 | 0 | 2 | 4.1 | CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C | 10.1016/s0960-894x(01)00186-x | |||
| 75306277 | 218830 | 0 | None | -398 | 23 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 308 | 0 | 0 | 3 | 4.2 | CN1CCC2C(C1)c1cccc3c1N2c1ccccc1CS3 | 10.1039/C2MD00311B | |||
| CHEMBL3217984 | 218830 | 0 | None | -398 | 23 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 308 | 0 | 0 | 3 | 4.2 | CN1CCC2C(C1)c1cccc3c1N2c1ccccc1CS3 | 10.1039/C2MD00311B | |||
| 11011332 | 239431 | 0 | None | -2 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 278 | 5 | 0 | 2 | 3.6 | CN(C)CCC1=C(Cc2cccnc2)c2ccccc2C1 | 10.1021/jm020895l | |||
| CHEMBL355560 | 239431 | 0 | None | -2 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 278 | 5 | 0 | 2 | 3.6 | CN(C)CCC1=C(Cc2cccnc2)c2ccccc2C1 | 10.1021/jm020895l | |||
| 164614994 | 371706 | 0 | None | -660 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 930 | 23 | 9 | 12 | 0.9 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | |||
| CHEMBL5028287 | 371706 | 0 | None | -660 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 930 | 23 | 9 | 12 | 0.9 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | |||
| 137635734 | 312036 | 0 | None | -275 | 8 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 377 | 7 | 0 | 3 | 3.2 | O=C1CCc2ccccc2N1CCCN1CCN(CCc2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | |||
| CHEMBL4063176 | 312036 | 0 | None | -275 | 8 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 377 | 7 | 0 | 3 | 3.2 | O=C1CCc2ccccc2N1CCCN1CCN(CCc2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | |||
| 1200 | 3405 | 44 | None | -12 | 23 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | |||
| 12488 | 3405 | 44 | None | -12 | 23 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | |||
| 941361 | 3405 | 44 | None | -12 | 23 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | |||
| CHEMBL30008 | 3405 | 44 | None | -12 | 23 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | |||
| DB04841 | 3405 | 44 | None | -12 | 23 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | |||
| 177372528 | 393723 | 0 | None | 1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 333 | 3 | 0 | 4 | 4.0 | CN1[C@@H]2CC[C@H]1C[C@H](Oc1nc3ccccc3n1-c1ccccc1)C2 | 10.1016/j.ejmech.2023.115891 | |||
| CHEMBL5646625 | 393723 | 0 | None | 1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 333 | 3 | 0 | 4 | 4.0 | CN1[C@@H]2CC[C@H]1C[C@H](Oc1nc3ccccc3n1-c1ccccc1)C2 | 10.1016/j.ejmech.2023.115891 | |||
| 178315524 | 467824 | 0 | None | -7 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 841 | 24 | 3 | 11 | 4.7 | NCCOCCOCCC(=O)NCCOCCOCCNc1ccccc1C(=O)N1CCC(N2CCC(Cc3ccc(S(=O)(=O)c4cccc(Cl)c4)cc3)CC2)CC1 | 10.1021/acsmedchemlett.4c00592 | |||
| CHEMBL6199292 | 467824 | 0 | None | -7 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 841 | 24 | 3 | 11 | 4.7 | NCCOCCOCCC(=O)NCCOCCOCCNc1ccccc1C(=O)N1CCC(N2CCC(Cc3ccc(S(=O)(=O)c4cccc(Cl)c4)cc3)CC2)CC1 | 10.1021/acsmedchemlett.4c00592 | |||
| 178308480 | 467814 | 0 | None | -5 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 682 | 15 | 2 | 8 | 5.1 | NCCOCCOCCNc1ccccc1C(=O)N1CCC(N2CCC(Cc3ccc(S(=O)(=O)c4cccc(Cl)c4)cc3)CC2)CC1 | 10.1021/acsmedchemlett.4c00592 | |||
| CHEMBL6198855 | 467814 | 0 | None | -5 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 682 | 15 | 2 | 8 | 5.1 | NCCOCCOCCNc1ccccc1C(=O)N1CCC(N2CCC(Cc3ccc(S(=O)(=O)c4cccc(Cl)c4)cc3)CC2)CC1 | 10.1021/acsmedchemlett.4c00592 | |||
| 2745 | 8402 | 34 | None | -11 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | nan | |||
| 5572 | 8402 | 34 | None | -11 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | nan | |||
| 66007 | 8402 | 34 | None | -11 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | nan | |||
| 7315 | 8402 | 34 | None | -11 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | nan | |||
| CHEMBL1490 | 8402 | 34 | None | -11 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | nan | |||
| DB00376 | 8402 | 34 | None | -11 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | nan | |||
| 118719923 | 234712 | 0 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 621 | 18 | 0 | 7 | 7.6 | CN1CCC=C(c2nsnc2OCCCCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | |||
| CHEMBL3354070 | 234712 | 0 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 621 | 18 | 0 | 7 | 7.6 | CN1CCC=C(c2nsnc2OCCCCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | |||
| 3652 | 8876 | 57 | None | -8 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm100697g | |||
| 57 | 8876 | 57 | None | -8 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm100697g | |||
| 60809 | 8876 | 57 | None | -8 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm100697g | |||
| CHEMBL21536 | 8876 | 57 | None | -8 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm100697g | |||
| DB15357 | 8876 | 57 | None | -8 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm100697g | |||
| 155521847 | 335234 | 0 | None | 3 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 418 | 5 | 0 | 3 | 5.3 | O=C(OCCc1ccc(Cl)c(Cl)c1)N(c1ccccc1)C1CN2CCC1CC2 | 10.1016/j.bmcl.2018.12.022 | |||
| CHEMBL4451770 | 335234 | 0 | None | 3 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 418 | 5 | 0 | 3 | 5.3 | O=C(OCCc1ccc(Cl)c(Cl)c1)N(c1ccccc1)C1CN2CCC1CC2 | 10.1016/j.bmcl.2018.12.022 | |||
| 71575550 | 177087 | 0 | None | 4 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 339 | 5 | 0 | 3 | 3.7 | CN1CCC(c2ccccc2)=C(C(=O)OCCc2cccc(F)c2)C1 | 10.1021/jm301774u | |||
| CHEMBL2312370 | 177087 | 0 | None | 4 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 339 | 5 | 0 | 3 | 3.7 | CN1CCC(c2ccccc2)=C(C(=O)OCCc2cccc(F)c2)C1 | 10.1021/jm301774u | |||
| 66561967 | 156373 | 0 | None | -1 | 7 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 213 | 2 | 0 | 1 | 2.0 | C1CC2CCC1N2CC12C3C4C5C3C1C5C42 | 10.1016/j.bmcl.2012.04.077 | |||
| CHEMBL2030626 | 156373 | 0 | None | -1 | 7 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 213 | 2 | 0 | 1 | 2.0 | C1CC2CCC1N2CC12C3C4C5C3C1C5C42 | 10.1016/j.bmcl.2012.04.077 | |||
| 57326325 | 158823 | 0 | None | -2 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 2.9 | CN(C)C[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | |||
| CHEMBL2078987 | 158823 | 0 | None | -2 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 2.9 | CN(C)C[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | |||
| 57326325 | 158823 | 0 | None | -2 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 2.9 | CN(C)C[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | |||
| CHEMBL2078987 | 158823 | 0 | None | -2 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 2.9 | CN(C)C[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | |||
| 44593622 | 371025 | 0 | None | -3 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 356 | 3 | 0 | 2 | 3.3 | C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | |||
| CHEMBL495888 | 371025 | 0 | None | -3 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 356 | 3 | 0 | 2 | 3.3 | C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | |||
| 2733619 | 26185 | 5 | None | -2 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 451 | 16 | 0 | 1 | 6.8 | CCCCN(CCCC)c1ccc(/C=C/c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1 | 10.1016/j.bmcl.2007.11.022 | |||
| 6508725 | 26185 | 5 | None | -2 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 451 | 16 | 0 | 1 | 6.8 | CCCCN(CCCC)c1ccc(/C=C/c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1 | 10.1016/j.bmcl.2007.11.022 | |||
| CHEMBL1182634 | 26185 | 5 | None | -2 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 451 | 16 | 0 | 1 | 6.8 | CCCCN(CCCC)c1ccc(/C=C/c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1 | 10.1016/j.bmcl.2007.11.022 | |||
| 129989 | 933 | 31 | None | -141 | 11 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/acs.jmedchem.8b01967 | |||
| 8584 | 933 | 31 | None | -141 | 11 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/acs.jmedchem.8b01967 | |||
| CHEMBL43383 | 933 | 31 | None | -141 | 11 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/acs.jmedchem.8b01967 | |||
| 44448417 | 26183 | 0 | None | -1 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 550 | 16 | 2 | 4 | 6.7 | CN(CCCN(C)CCCC(O)(c1ccccc1)c1ccccc1)CCCC(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2008.03.061 | |||
| CHEMBL1182629 | 26183 | 0 | None | -1 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 550 | 16 | 2 | 4 | 6.7 | CN(CCCN(C)CCCC(O)(c1ccccc1)c1ccccc1)CCCC(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2008.03.061 | |||
| 46227481 | 38058 | 0 | None | -1 | 5 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 202 | 2 | 0 | 2 | 1.3 | C[C@H]1O[C@H](C[N+](C)(C)C)COC1(C)C | 10.1016/j.bmc.2009.10.027 | |||
| CHEMBL1198081 | 38058 | 0 | None | -1 | 5 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 202 | 2 | 0 | 2 | 1.3 | C[C@H]1O[C@H](C[N+](C)(C)C)COC1(C)C | 10.1016/j.bmc.2009.10.027 | |||
| 662 | 7476 | 7 | None | -1174 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 756 | 14 | 2 | 8 | 6.3 | COc1ccc2c(c1)ccc(c2)S(=O)(=O)N[C@@H](c1ccc2c(c1)OCO2)CC(=O)N[C@@H](C(=O)N(C(C)C)C)Cc1ccc(cc1)CN1[C@H](C)CCC[C@@H]1C | 10.6019/CHEMBL5442175 | |||
| 9853583 | 7476 | 7 | None | -1174 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 756 | 14 | 2 | 8 | 6.3 | COc1ccc2c(c1)ccc(c2)S(=O)(=O)N[C@@H](c1ccc2c(c1)OCO2)CC(=O)N[C@@H](C(=O)N(C(C)C)C)Cc1ccc(cc1)CN1[C@H](C)CCC[C@@H]1C | 10.6019/CHEMBL5442175 | |||
| CHEMBL2021721 | 7476 | 7 | None | -1174 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 756 | 14 | 2 | 8 | 6.3 | COc1ccc2c(c1)ccc(c2)S(=O)(=O)N[C@@H](c1ccc2c(c1)OCO2)CC(=O)N[C@@H](C(=O)N(C(C)C)C)Cc1ccc(cc1)CN1[C@H](C)CCC[C@@H]1C | 10.6019/CHEMBL5442175 | |||
| 9894173 | 39048 | 6 | None | -95 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 565 | 6 | 1 | 5 | 5.6 | Cc1cccc(C(=O)N2CCC(N3CCC(Cc4ccc(S(=O)(=O)c5cccc(Cl)c5)cc4)CC3)CC2)c1N | 10.1021/jm301774u | |||
| CHEMBL12098 | 39048 | 6 | None | -95 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 565 | 6 | 1 | 5 | 5.6 | Cc1cccc(C(=O)N2CCC(N3CCC(Cc4ccc(S(=O)(=O)c5cccc(Cl)c5)cc4)CC3)CC2)c1N | 10.1021/jm301774u | |||
| 24882532 | 195491 | 0 | None | -6 | 5 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 363 | 6 | 1 | 3 | 4.4 | CCN1CCN(c2ccc(NC(=O)CCC3CCCC3)cc2Cl)CC1 | 10.1016/j.bmcl.2007.12.051 | |||
| CHEMBL255523 | 195491 | 0 | None | -6 | 5 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 363 | 6 | 1 | 3 | 4.4 | CCN1CCN(c2ccc(NC(=O)CCC3CCCC3)cc2Cl)CC1 | 10.1016/j.bmcl.2007.12.051 | |||
| 118719928 | 234717 | 0 | None | -5 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 414 | 13 | 1 | 3 | 5.2 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCO)CC1 | 10.1021/jm501173q | |||
| CHEMBL3354075 | 234717 | 0 | None | -5 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 414 | 13 | 1 | 3 | 5.2 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCO)CC1 | 10.1021/jm501173q | |||
| 3055 | 2955 | 32 | None | -3 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | nan | |||
| 313 | 2955 | 32 | None | -3 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | nan | |||
| 7163 | 2955 | 32 | None | -3 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | nan | |||
| CHEMBL936 | 2955 | 32 | None | -3 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | nan | |||
| DB01231 | 2955 | 32 | None | -3 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | nan | |||
| 60151939 | 180987 | 43 | None | -602 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 503 | 10 | 2 | 5 | 5.6 | CCC[C@H](Oc1cc(C)c(-n2cc(C(F)(F)F)cn2)c(C)c1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.6019/CHEMBL5442175 | |||
| CHEMBL2381848 | 180987 | 43 | None | -602 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 503 | 10 | 2 | 5 | 5.6 | CCC[C@H](Oc1cc(C)c(-n2cc(C(F)(F)F)cn2)c(C)c1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.6019/CHEMBL5442175 | |||
| DB15065 | 180987 | 43 | None | -602 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 503 | 10 | 2 | 5 | 5.6 | CCC[C@H](Oc1cc(C)c(-n2cc(C(F)(F)F)cn2)c(C)c1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.6019/CHEMBL5442175 | |||
| 11808040 | 333092 | 0 | None | -7 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 278 | 4 | 0 | 2 | 3.8 | CC(C1=C(CN(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | |||
| CHEMBL434684 | 333092 | 0 | None | -7 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 278 | 4 | 0 | 2 | 3.8 | CC(C1=C(CN(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | |||
| 118710660 | 239457 | 0 | None | -2 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 432 | 11 | 1 | 3 | 3.7 | C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm500790x | |||
| CHEMBL3558230 | 239457 | 0 | None | -2 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 432 | 11 | 1 | 3 | 3.7 | C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm500790x | |||
| 122194370 | 252054 | 0 | None | -1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 353 | 6 | 0 | 4 | 3.4 | COc1ccc(CCOC(=O)C2(c3ccccc3)CCN(C)CC2)cc1 | 10.1016/j.bmcl.2015.10.029 | |||
| CHEMBL3629530 | 252054 | 0 | None | -1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 353 | 6 | 0 | 4 | 3.4 | COc1ccc(CCOC(=O)C2(c3ccccc3)CCN(C)CC2)cc1 | 10.1016/j.bmcl.2015.10.029 | |||
| 164613559 | 371690 | 0 | None | -2754 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 874 | 21 | 9 | 12 | 0.2 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | |||
| CHEMBL5028196 | 371690 | 0 | None | -2754 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 874 | 21 | 9 | 12 | 0.2 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | |||
| 156015895 | 352196 | 0 | None | -6 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 993 | 21 | 2 | 8 | 10.7 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | |||
| CHEMBL4650874 | 352196 | 0 | None | -6 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 993 | 21 | 2 | 8 | 10.7 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | |||
| 44627958 | 28277 | 0 | None | -2 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 354 | 4 | 1 | 2 | 5.0 | C[N+]1(C)CCC[C@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | |||
| CHEMBL1197374 | 28277 | 0 | None | -2 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 354 | 4 | 1 | 2 | 5.0 | C[N+]1(C)CCC[C@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | |||
| 164622564 | 371760 | 0 | None | -35 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 902 | 21 | 9 | 12 | 0.2 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | |||
| CHEMBL5028706 | 371760 | 0 | None | -35 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 902 | 21 | 9 | 12 | 0.2 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | |||
| 44446841 | 26607 | 0 | None | -4 | 4 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2007.11.073 | |||
| CHEMBL1185281 | 26607 | 0 | None | -4 | 4 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2007.11.073 | |||
| 2068 | 370177 | 47 | None | -41 | 8 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | nan | |||
| 43815 | 370177 | 47 | None | -41 | 8 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | nan | |||
| CHEMBL490 | 370177 | 47 | None | -41 | 8 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | nan | |||
| DB00715 | 370177 | 47 | None | -41 | 8 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | nan | |||
| 44207909 | 40583 | 6 | None | -33 | 9 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 407 | 7 | 1 | 4 | 2.6 | O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc32)CC1 | 10.1021/jm100697g | |||
| CHEMBL1242923 | 40583 | 6 | None | -33 | 9 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 407 | 7 | 1 | 4 | 2.6 | O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc32)CC1 | 10.1021/jm100697g | |||
| 11131099 | 238931 | 0 | None | -8 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 322 | 6 | 0 | 3 | 4.2 | COc1ccc2c(c1)C(C(C)c1ccccn1)=C(CCN(C)C)C2 | 10.1021/jm020895l | |||
| CHEMBL352404 | 238931 | 0 | None | -8 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 322 | 6 | 0 | 3 | 4.2 | COc1ccc2c(c1)C(C(C)c1ccccn1)=C(CCN(C)C)C2 | 10.1021/jm020895l | |||
| 156015045 | 352180 | 0 | None | -21 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 376 | 5 | 0 | 4 | 2.7 | C[N+](C)(C)C[C@@H]1CO[C@H](c2ccc(S(=O)(=O)c3ccccc3)cc2)CO1 | 10.1021/acs.jmedchem.9b02100 | |||
| CHEMBL4650765 | 352180 | 0 | None | -21 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 376 | 5 | 0 | 4 | 2.7 | C[N+](C)(C)C[C@@H]1CO[C@H](c2ccc(S(=O)(=O)c3ccccc3)cc2)CO1 | 10.1021/acs.jmedchem.9b02100 | |||
| 3652 | 8876 | 57 | None | -8 | 18 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm501173q | |||
| 57 | 8876 | 57 | None | -8 | 18 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm501173q | |||
| 60809 | 8876 | 57 | None | -8 | 18 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm501173q | |||
| CHEMBL21536 | 8876 | 57 | None | -8 | 18 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm501173q | |||
| DB15357 | 8876 | 57 | None | -8 | 18 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm501173q | |||
| 135398737 | 1973 | 61 | None | -8 | 61 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | |||
| 2818 | 1973 | 61 | None | -8 | 61 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | |||
| 38 | 1973 | 61 | None | -8 | 61 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | |||
| 722 | 1973 | 61 | None | -8 | 61 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | |||
| CHEMBL253391 | 1973 | 61 | None | -8 | 61 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | |||
| CHEMBL42 | 1973 | 61 | None | -8 | 61 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | |||
| DB00363 | 1973 | 61 | None | -8 | 61 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | |||
| 171344930 | 386714 | 0 | None | -2 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 1024 | 19 | 1 | 13 | 9.4 | CN(C)c1ccc2c(-c3ccc(-c4cn(CCCCCn5cc(CCCCCN6CCC(OC(=O)Nc7ccc(F)cc7-c7ccc(F)c(Cl)c7)CC6)nn5)nn4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1 | 10.1021/acs.jmedchem.2c01376 | |||
| CHEMBL5283759 | 386714 | 0 | None | -2 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 1024 | 19 | 1 | 13 | 9.4 | CN(C)c1ccc2c(-c3ccc(-c4cn(CCCCCn5cc(CCCCCN6CCC(OC(=O)Nc7ccc(F)cc7-c7ccc(F)c(Cl)c7)CC6)nn5)nn4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1 | 10.1021/acs.jmedchem.2c01376 | |||
| 44593623 | 371103 | 0 | None | -2 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 356 | 3 | 0 | 2 | 3.3 | C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | |||
| CHEMBL496503 | 371103 | 0 | None | -2 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 356 | 3 | 0 | 2 | 3.3 | C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | |||
| 10925451 | 121559 | 0 | None | -2 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 4.8 | CC(C1=C(CCN(C)C)Cc2ccc(Cl)cc21)c1ccccn1 | 10.1021/jm020895l | |||
| CHEMBL168707 | 121559 | 0 | None | -2 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 4.8 | CC(C1=C(CCN(C)C)Cc2ccc(Cl)cc21)c1ccccn1 | 10.1021/jm020895l | |||
| 164622017 | 371757 | 0 | None | -102 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 917 | 22 | 10 | 13 | -0.9 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | |||
| CHEMBL5028681 | 371757 | 0 | None | -102 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 917 | 22 | 10 | 13 | -0.9 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | |||
| 137636308 | 312126 | 0 | None | -28 | 8 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 329 | 7 | 0 | 3 | 2.8 | CCCCN1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/acs.jmedchem.8b00265 | |||
| CHEMBL4064222 | 312126 | 0 | None | -28 | 8 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 329 | 7 | 0 | 3 | 2.8 | CCCCN1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/acs.jmedchem.8b00265 | |||
| 71450550 | 174794 | 0 | None | -1 | 16 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 309 | 4 | 1 | 3 | 2.0 | COc1ccccc1CCN1C2C3C4CC5C6C4C2C6C1(O)C53 | 10.1016/j.bmcl.2012.08.046 | |||
| CHEMBL2205836 | 174794 | 0 | None | -1 | 16 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 309 | 4 | 1 | 3 | 2.0 | COc1ccccc1CCN1C2C3C4CC5C6C4C2C6C1(O)C53 | 10.1016/j.bmcl.2012.08.046 | |||
| 71457691 | 174786 | 0 | None | -2 | 10 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 2.0 | COc1ccccc1CN1C2C3C4CC5C6C4C2C6C1(O)C53 | 10.1016/j.bmcl.2012.08.046 | |||
| CHEMBL2205823 | 174786 | 0 | None | -2 | 10 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 2.0 | COc1ccccc1CN1C2C3C4CC5C6C4C2C6C1(O)C53 | 10.1016/j.bmcl.2012.08.046 | |||
| 2229 | 959 | 17 | None | -2 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 179 | 2 | 0 | 3 | 0.4 | CN1CC(=CCC1)C(=O)OCC#C | 10.1021/jm0510878 | |||
| 295 | 959 | 17 | None | -2 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 179 | 2 | 0 | 3 | 0.4 | CN1CC(=CCC1)C(=O)OCC#C | 10.1021/jm0510878 | |||
| CHEMBL128365 | 959 | 17 | None | -2 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 179 | 2 | 0 | 3 | 0.4 | CN1CC(=CCC1)C(=O)OCC#C | 10.1021/jm0510878 | |||
| 46227555 | 38051 | 1 | None | -8 | 4 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@@H]1CO[C@H](C[N+](C)(C)C)CO1 | 10.1016/j.bmc.2009.10.027 | |||
| CHEMBL1198062 | 38051 | 1 | None | -8 | 4 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@@H]1CO[C@H](C[N+](C)(C)C)CO1 | 10.1016/j.bmc.2009.10.027 | |||
| 10092649 | 385614 | 38 | None | -85 | 9 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1021/jm100697g | |||
| CHEMBL522460 | 385614 | 38 | None | -85 | 9 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1021/jm100697g | |||
| 16086063 | 162016 | 0 | None | -4897 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 744 | 11 | 2 | 5 | 5.8 | O=C(NCC1CCN(CC2CCCC2)CC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm051205r | |||
| CHEMBL214898 | 162016 | 0 | None | -4897 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 744 | 11 | 2 | 5 | 5.8 | O=C(NCC1CCN(CC2CCCC2)CC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm051205r | |||
| CHEMBL4535474 | 478312 | 45 | None | -7 | 22 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 448 | 8 | 2 | 7 | 5.6 | CNCc1ccccc1-c1csc([C@@H](C)Nc2nc(C)nc3cc(OC)c(OC)cc23)c1 | 10.6019/CHEMBL4507273 | |||
| 129989 | 933 | 31 | None | -141 | 11 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.6019/CHEMBL5442175 | |||
| 8584 | 933 | 31 | None | -141 | 11 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.6019/CHEMBL5442175 | |||
| CHEMBL43383 | 933 | 31 | None | -141 | 11 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.6019/CHEMBL5442175 | |||
| 155556290 | 350423 | 0 | None | -549 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 923 | 22 | 7 | 11 | 3.1 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
| CHEMBL4596434 | 350423 | 0 | None | -549 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 923 | 22 | 7 | 11 | 3.1 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
| 16086005 | 276556 | 0 | None | -794 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 724 | 10 | 3 | 5 | 5.8 | O=C(NCCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 | 10.1021/jm051205r | |||
| CHEMBL378859 | 276556 | 0 | None | -794 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 724 | 10 | 3 | 5 | 5.8 | O=C(NCCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 | 10.1021/jm051205r | |||
| 44448538 | 26687 | 0 | None | -3 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 339 | 6 | 1 | 2 | 3.1 | C[N+]1(C)CCN(CCCC(O)(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2008.03.061 | |||
| CHEMBL1185855 | 26687 | 0 | None | -3 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 339 | 6 | 1 | 2 | 3.1 | C[N+]1(C)CCN(CCCC(O)(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2008.03.061 | |||
| 24894637 | 371906 | 0 | None | -3 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 180 | 1 | 0 | 1 | 2.5 | Cc1ccc([C@H]2CCC[N+]2(C)C)o1 | 10.1021/jm800145d | |||
| CHEMBL504733 | 371906 | 0 | None | -3 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 180 | 1 | 0 | 1 | 2.5 | Cc1ccc([C@H]2CCC[N+]2(C)C)o1 | 10.1021/jm800145d | |||
| CHEMBL4535474 | 478312 | 45 | None | -7 | 22 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 448 | 8 | 2 | 7 | 5.6 | CNCc1ccccc1-c1csc([C@@H](C)Nc2nc(C)nc3cc(OC)c(OC)cc23)c1 | 10.6019/CHEMBL4507273 | |||
| 124 | 6070 | 37 | None | -77 | 25 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | |||
| 2032 | 6070 | 37 | None | -77 | 25 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | |||
| 4636 | 6070 | 37 | None | -77 | 25 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | |||
| CHEMBL762 | 6070 | 37 | None | -77 | 25 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | |||
| DB00935 | 6070 | 37 | None | -77 | 25 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | |||
| 2335 | 26122 | 15 | None | -1 | 12 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | |||
| 3018 | 26122 | 15 | None | -1 | 12 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | |||
| CHEMBL1182210 | 26122 | 15 | None | -1 | 12 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | |||
| DB11125 | 26122 | 15 | None | -1 | 12 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | |||
| 9885114 | 238340 | 3 | None | -223 | 12 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 357 | 3 | 1 | 4 | 3.0 | O=C1COc2cc(CN3CCN(c4ccc(Cl)cc4)CC3)ccc2N1 | 10.1021/jm990277d | |||
| CHEMBL346389 | 238340 | 3 | None | -223 | 12 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 357 | 3 | 1 | 4 | 3.0 | O=C1COc2cc(CN3CCN(c4ccc(Cl)cc4)CC3)ccc2N1 | 10.1021/jm990277d | |||
| 9885114 | 238340 | 3 | None | -223 | 12 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 357 | 3 | 1 | 4 | 3.0 | O=C1COc2cc(CN3CCN(c4ccc(Cl)cc4)CC3)ccc2N1 | 10.1021/acs.jmedchem.7b00151 | |||
| CHEMBL346389 | 238340 | 3 | None | -223 | 12 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 357 | 3 | 1 | 4 | 3.0 | O=C1COc2cc(CN3CCN(c4ccc(Cl)cc4)CC3)ccc2N1 | 10.1021/acs.jmedchem.7b00151 | |||
| 44627739 | 407561 | 0 | None | -3 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 333 | 4 | 1 | 3 | 4.3 | CN1CCCC1c1ccc(C(O)(c2ccccc2)c2ccccc2)o1 | 10.1021/jm901048j | |||
| CHEMBL576663 | 407561 | 0 | None | -3 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 333 | 4 | 1 | 3 | 4.3 | CN1CCCC1c1ccc(C(O)(c2ccccc2)c2ccccc2)o1 | 10.1021/jm901048j | |||
| 2419 | 7043 | 56 | None | -398 | 15 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.6019/CHEMBL5442175 | |||
| 5152 | 7043 | 56 | None | -398 | 15 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.6019/CHEMBL5442175 | |||
| 559 | 7043 | 56 | None | -398 | 15 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.6019/CHEMBL5442175 | |||
| CHEMBL1263 | 7043 | 56 | None | -398 | 15 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.6019/CHEMBL5442175 | |||
| DB00938 | 7043 | 56 | None | -398 | 15 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.6019/CHEMBL5442175 | |||
| 49783209 | 41478 | 0 | None | -1698 | 27 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 396 | 7 | 1 | 6 | 3.8 | CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3c2OCCO3)CC1 | 10.1021/jm100668r | |||
| CHEMBL1258223 | 41478 | 0 | None | -1698 | 27 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 396 | 7 | 1 | 6 | 3.8 | CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3c2OCCO3)CC1 | 10.1021/jm100668r | |||
| 1209 | 3407 | 55 | None | -13 | 19 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | nan | |||
| 203 | 3407 | 55 | None | -13 | 19 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | nan | |||
| 3386 | 3407 | 55 | None | -13 | 19 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | nan | |||
| CHEMBL41 | 3407 | 55 | None | -13 | 19 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | nan | |||
| DB00472 | 3407 | 55 | None | -13 | 19 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | nan | |||
| 10043954 | 163707 | 0 | None | -3 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 358 | 3 | 0 | 4 | 3.7 | O=C(OC1CN2CCC1CC2)C1=C/C(=C\c2ccccn2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | |||
| CHEMBL21716 | 163707 | 0 | None | -3 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 358 | 3 | 0 | 4 | 3.7 | O=C(OC1CN2CCC1CC2)C1=C/C(=C\c2ccccn2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | |||
| 155521383 | 350394 | 0 | None | -87 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 604 | 13 | 6 | 6 | 2.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
| CHEMBL4596184 | 350394 | 0 | None | -87 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 604 | 13 | 6 | 6 | 2.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | |||
| 187 | 524 | 25 | None | -12 | 8 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2007.11.073 | |||
| 294 | 524 | 25 | None | -12 | 8 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2007.11.073 | |||
| 65 | 524 | 25 | None | -12 | 8 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2007.11.073 | |||
| CHEMBL667 | 524 | 25 | None | -12 | 8 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2007.11.073 | |||
| DB03128 | 524 | 25 | None | -12 | 8 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2007.11.073 | |||
| 46227455 | 38088 | 0 | None | -4 | 2 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 188 | 2 | 0 | 2 | 0.9 | C[C@@H]1O[C@H](C[N+](C)(C)C)CO[C@@H]1C | 10.1016/j.bmc.2009.10.027 | |||
| CHEMBL1198609 | 38088 | 0 | None | -4 | 2 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 188 | 2 | 0 | 2 | 0.9 | C[C@@H]1O[C@H](C[N+](C)(C)C)CO[C@@H]1C | 10.1016/j.bmc.2009.10.027 | |||
| 1530 | 4450 | 49 | None | -66 | 24 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | 10.6019/CHEMBL5442175 | |||
| 3827 | 4450 | 49 | None | -66 | 24 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | 10.6019/CHEMBL5442175 | |||
| 7206 | 4450 | 49 | None | -66 | 24 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | 10.6019/CHEMBL5442175 | |||
| CHEMBL534 | 4450 | 49 | None | -66 | 24 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | 10.6019/CHEMBL5442175 | |||
| DB00920 | 4450 | 49 | None | -66 | 24 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | 10.6019/CHEMBL5442175 | |||
| CHEMBL306462 | 203015 | 0 | None | 1 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 211 | 2 | 1 | 4 | 1.1 | CCO/C(O)=C1\CN2CCCC(C2)C1=O | 10.1021/jm020572p | |||
| 135 | 5144 | 38 | None | None | None | Rat | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | |||
| 1796 | 5144 | 38 | None | None | None | Rat | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | |||
| 4184 | 5144 | 38 | None | None | None | Rat | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | |||
| CHEMBL6437 | 5144 | 38 | None | None | None | Rat | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | |||
| DB06148 | 5144 | 38 | None | None | None | Rat | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | |||
| 1427 | 4113 | 43 | None | None | None | Rat | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | |||
| 357 | 4113 | 43 | None | None | None | Rat | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | |||
| 3696 | 4113 | 43 | None | None | None | Rat | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | |||
| CHEMBL11 | 4113 | 43 | None | None | None | Rat | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | |||
| DB00458 | 4113 | 43 | None | None | None | Rat | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | |||
| 2745 | 8402 | 34 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | |||
| 5572 | 8402 | 34 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | |||
| 66007 | 8402 | 34 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | |||
| 7315 | 8402 | 34 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | |||
| CHEMBL1490 | 8402 | 34 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | |||
| DB00376 | 8402 | 34 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | |||
| 11434515 | 536 | 9 | None | None | None | Human | 8.0 | pIC50 | = | 8.0 | Binding | Drug Central | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | None | |||
| 4484 | 536 | 9 | None | None | None | Human | 8.0 | pIC50 | = | 8.0 | Binding | Drug Central | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | None | |||
| 7449 | 536 | 9 | None | None | None | Human | 8.0 | pIC50 | = | 8.0 | Binding | Drug Central | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | None | |||
| CHEMBL1194325 | 536 | 9 | None | None | None | Human | 8.0 | pIC50 | = | 8.0 | Binding | Drug Central | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | None | |||
| DB08897 | 536 | 9 | None | None | None | Human | 8.0 | pIC50 | = | 8.0 | Binding | Drug Central | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | None | |||
| 23056 | 8033 | 20 | None | -1 | 5 | Human | 10.5 | pKd | = | 10.5 | Binding | Guide to Pharmacology | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | 7562472 | |||
| 318 | 8033 | 20 | None | -1 | 5 | Human | 10.5 | pKd | = | 10.5 | Binding | Guide to Pharmacology | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | 7562472 | |||
| CHEMBL12980 | 8033 | 20 | None | -1 | 5 | Human | 10.5 | pKd | = | 10.5 | Binding | Guide to Pharmacology | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | 7562472 | |||
| 2381 | 1364 | 33 | None | -3 | 5 | Human | 8.2 | pKd | = | 8.2 | Binding | Guide to Pharmacology | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | 1346637 | |||
| 374 | 1364 | 33 | None | -3 | 5 | Human | 8.2 | pKd | = | 8.2 | Binding | Guide to Pharmacology | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | 1346637 | |||
| 7128 | 1364 | 33 | None | -3 | 5 | Human | 8.2 | pKd | = | 8.2 | Binding | Guide to Pharmacology | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | 1346637 | |||
| CHEMBL1101 | 1364 | 33 | None | -3 | 5 | Human | 8.2 | pKd | = | 8.2 | Binding | Guide to Pharmacology | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | 1346637 | |||
| DB00810 | 1364 | 33 | None | -3 | 5 | Human | 8.2 | pKd | = | 8.2 | Binding | Guide to Pharmacology | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | 1346637 | |||
| 12486 | 7952 | 0 | None | -63 | 5 | Human | 8.3 | pKd | = | 8.3 | Binding | Guide to Pharmacology | 185 | 2 | 1 | 3 | -1.1 | [3H][N+](C)(C)CC#CCOC1=NOCC1 | 24863257 | |||
| 167993643 | 7952 | 0 | None | -63 | 5 | Human | 8.3 | pKd | = | 8.3 | Binding | Guide to Pharmacology | 185 | 2 | 1 | 3 | -1.1 | [3H][N+](C)(C)CC#CCOC1=NOCC1 | 24863257 | |||
| 317 | 8007 | 0 | None | -3 | 8 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 11303071 | |||
| 317 | 8007 | 0 | None | -3 | 8 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 12235229 | |||
| 317 | 8007 | 0 | None | -3 | 8 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 16369696 | |||
| 317 | 8007 | 0 | None | -3 | 8 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 31772027 | |||
| 317 | 8007 | 0 | None | -3 | 8 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 7562472 | |||
| 317 | 8007 | 0 | None | -3 | 8 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 7687290 | |||
| 317 | 8007 | 0 | None | -3 | 8 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 9846649 | |||
| 71183 | 8007 | 0 | None | -3 | 8 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 11303071 | |||
| 71183 | 8007 | 0 | None | -3 | 8 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 12235229 | |||
| 71183 | 8007 | 0 | None | -3 | 8 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 16369696 | |||
| 71183 | 8007 | 0 | None | -3 | 8 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 31772027 | |||
| 71183 | 8007 | 0 | None | -3 | 8 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 7562472 | |||
| 71183 | 8007 | 0 | None | -3 | 8 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 7687290 | |||
| 71183 | 8007 | 0 | None | -3 | 8 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 9846649 | |||
| 21123938 | 1510 | 0 | None | -19 | 5 | Human | 2.3 | pKd | None | 2.3 | Binding | Guide to Pharmacology | 410 | 2 | 0 | 5 | 2.1 | COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CC[N@@+]2([C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2)[O-] | 9495826 | |||
| 343 | 1510 | 0 | None | -19 | 5 | Human | 2.3 | pKd | None | 2.3 | Binding | Guide to Pharmacology | 410 | 2 | 0 | 5 | 2.1 | COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CC[N@@+]2([C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2)[O-] | 9495826 | |||
| 342 | 1508 | 34 | None | -281 | 5 | Human | 2.9 | pKd | None | 2.9 | Binding | Guide to Pharmacology | 394 | 2 | 0 | 5 | 2.1 | COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CCN2[C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2 | 9495826 | |||
| 442021 | 1508 | 34 | None | -281 | 5 | Human | 2.9 | pKd | None | 2.9 | Binding | Guide to Pharmacology | 394 | 2 | 0 | 5 | 2.1 | COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CCN2[C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2 | 9495826 | |||
| CHEMBL501756 | 1508 | 34 | None | -281 | 5 | Human | 2.9 | pKd | None | 2.9 | Binding | Guide to Pharmacology | 394 | 2 | 0 | 5 | 2.1 | COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CCN2[C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2 | 9495826 | |||
| 2484 | 7502 | 30 | None | -1047 | 5 | Human | 3.6 | pKd | None | 3.6 | Binding | Guide to Pharmacology | 334 | 0 | 0 | 3 | 2.1 | O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3 | 7651370 | |||
| 347 | 7502 | 30 | None | -1047 | 5 | Human | 3.6 | pKd | None | 3.6 | Binding | Guide to Pharmacology | 334 | 0 | 0 | 3 | 2.1 | O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3 | 7651370 | |||
| 441071 | 7502 | 30 | None | -1047 | 5 | Human | 3.6 | pKd | None | 3.6 | Binding | Guide to Pharmacology | 334 | 0 | 0 | 3 | 2.1 | O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3 | 7651370 | |||
| CHEMBL227934 | 7502 | 30 | None | -1047 | 5 | Human | 3.6 | pKd | None | 3.6 | Binding | Guide to Pharmacology | 334 | 0 | 0 | 3 | 2.1 | O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3 | 7651370 | |||
| DB15954 | 7502 | 30 | None | -1047 | 5 | Human | 3.6 | pKd | None | 3.6 | Binding | Guide to Pharmacology | 334 | 0 | 0 | 3 | 2.1 | O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3 | 7651370 | |||
| 332 | 4157 | 0 | None | -12 | 5 | Human | 3.7 | pKd | None | 3.7 | Binding | Guide to Pharmacology | 485 | 4 | 0 | 4 | 3.8 | COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CC[N+]2([C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2)Cc1ccccc1 | 9495826 | |||
| 44358893 | 4157 | 0 | None | -12 | 5 | Human | 3.7 | pKd | None | 3.7 | Binding | Guide to Pharmacology | 485 | 4 | 0 | 4 | 3.8 | COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CC[N+]2([C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2)Cc1ccccc1 | 9495826 | |||
| CHEMBL343796 | 4157 | 0 | None | -12 | 5 | Human | 3.7 | pKd | None | 3.7 | Binding | Guide to Pharmacology | 485 | 4 | 0 | 4 | 3.8 | COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CC[N+]2([C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2)Cc1ccccc1 | 9495826 | |||
| 344 | 5614 | 0 | None | -1 | 5 | Human | 4.4 | pKd | None | 4.4 | Binding | Guide to Pharmacology | 443 | 3 | 0 | 4 | 2.8 | COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CC[N+]2([C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2)CCl | 9495826 | |||
| 44358908 | 5614 | 0 | None | -1 | 5 | Human | 4.4 | pKd | None | 4.4 | Binding | Guide to Pharmacology | 443 | 3 | 0 | 4 | 2.8 | COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CC[N+]2([C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2)CCl | 9495826 | |||
| CHEMBL139677 | 5614 | 0 | None | -1 | 5 | Human | 4.4 | pKd | None | 4.4 | Binding | Guide to Pharmacology | 443 | 3 | 0 | 4 | 2.8 | COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CC[N+]2([C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2)CCl | 9495826 | |||
| 2677 | 346761 | 7 | None | -9 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 392 | 4 | 1 | 6 | 2.3 | C[N+]1(C)[C@H]2C[C@@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@@H]1[C@H]1O[C@@H]21 | None | |||
| 5487427 | 346761 | 7 | None | -9 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 392 | 4 | 1 | 6 | 2.3 | C[N+]1(C)[C@H]2C[C@@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@@H]1[C@H]1O[C@@H]21 | None | |||
| CHEMBL4650755 | 346761 | 7 | None | -9 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 392 | 4 | 1 | 6 | 2.3 | C[N+]1(C)[C@H]2C[C@@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@@H]1[C@H]1O[C@@H]21 | None | |||
| 1893 | 424177 | 48 | None | -2 | 8 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 567 | 9 | 4 | 6 | 4.7 | Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C | None | |||
| 64143 | 424177 | 48 | None | -2 | 8 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 567 | 9 | 4 | 6 | 4.7 | Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C | None | |||
| CHEMBL584 | 424177 | 48 | None | -2 | 8 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 567 | 9 | 4 | 6 | 4.7 | Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C | None | |||
| DB00220 | 424177 | 48 | None | -2 | 8 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 567 | 9 | 4 | 6 | 4.7 | Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C | None | |||
| 2719 | 1891 | 63 | None | -2 | 8 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | None | |||
| 5535 | 1891 | 63 | None | -2 | 8 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | None | |||
| 607 | 1891 | 63 | None | -2 | 8 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | None | |||
| CHEMBL76 | 1891 | 63 | None | -2 | 8 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | None | |||
| DB00608 | 1891 | 63 | None | -2 | 8 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | None | |||
| 1395 | 99516 | 64 | None | -2 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 335 | 9 | 2 | 4 | 3.8 | CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 | None | |||
| 3652 | 99516 | 64 | None | -2 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 335 | 9 | 2 | 4 | 3.8 | CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 | None | |||
| CHEMBL1535 | 99516 | 64 | None | -2 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 335 | 9 | 2 | 4 | 3.8 | CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 | None | |||
| DB01611 | 99516 | 64 | None | -2 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 335 | 9 | 2 | 4 | 3.8 | CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 | None | |||
| 107782 | 38381 | 16 | None | -2 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 472 | 4 | 4 | 6 | 2.0 | C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O | None | |||
| 4667 | 38381 | 16 | None | -2 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 472 | 4 | 4 | 6 | 2.0 | C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O | None | |||
| CHEMBL1201207 | 38381 | 16 | None | -2 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 472 | 4 | 4 | 6 | 2.0 | C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O | None | |||
| DB14669 | 38381 | 16 | None | -2 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 472 | 4 | 4 | 6 | 2.0 | C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O | None | |||
| 212 | 8291 | 39 | None | -1 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | |||
| 2639 | 8291 | 39 | None | -1 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | |||
| 941651 | 8291 | 39 | None | -1 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | |||
| CHEMBL1201 | 8291 | 39 | None | -1 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | |||
| DB01623 | 8291 | 39 | None | -1 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | |||
| 2448 | 199534 | 52 | None | -1 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 419 | 6 | 1 | 3 | 4.5 | O=C(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(F)cc1 | None | |||
| 407 | 199534 | 52 | None | -1 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 419 | 6 | 1 | 3 | 4.5 | O=C(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(F)cc1 | None | |||
| CHEMBL28218 | 199534 | 52 | None | -1 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 419 | 6 | 1 | 3 | 4.5 | O=C(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(F)cc1 | None | |||
| DB12401 | 199534 | 52 | None | -1 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 419 | 6 | 1 | 3 | 4.5 | O=C(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(F)cc1 | None | |||
| 2536 | 308773 | 12 | None | -20 | 15 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCNC(C)C(O)c1ccc(SC(C)C)cc1 | None | |||
| 5354 | 308773 | 12 | None | -20 | 15 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCNC(C)C(O)c1ccc(SC(C)C)cc1 | None | |||
| CHEMBL404849 | 308773 | 12 | None | -20 | 15 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCNC(C)C(O)c1ccc(SC(C)C)cc1 | None | |||
| 2599 | 116531 | 16 | None | -6 | 17 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OCC3COC(Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | None | |||
| 5404 | 116531 | 16 | None | -6 | 17 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OCC3COC(Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | None | |||
| CHEMBL1714574 | 116531 | 16 | None | -6 | 17 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OCC3COC(Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | None | |||
| 2337 | 6622 | 53 | None | -20 | 36 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| 50 | 6622 | 53 | None | -20 | 36 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| 5002 | 6622 | 53 | None | -20 | 36 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| CHEMBL716 | 6622 | 53 | None | -20 | 36 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| DB01224 | 6622 | 53 | None | -20 | 36 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| 2338 | 461820 | 42 | None | -2 | 13 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | None | |||
| 237 | 461820 | 42 | None | -2 | 13 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | None | |||
| CHEMBL7568 | 461820 | 42 | None | -2 | 13 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | None | |||
| DB01103 | 461820 | 42 | None | -2 | 13 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | None | |||
| 1209 | 3407 | 55 | None | -13 | 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 | -13 | 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 | -13 | 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 | -13 | 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 | -13 | 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 | |||
| 260 | 8417 | 32 | None | -17 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 284 | 2 | 1 | 3 | 3.0 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)c1c[nH]c2c1cccc2 | None | |||
| 2775 | 8417 | 32 | None | -17 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 284 | 2 | 1 | 3 | 3.0 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)c1c[nH]c2c1cccc2 | None | |||
| 656665 | 8417 | 32 | None | -17 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 284 | 2 | 1 | 3 | 3.0 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)c1c[nH]c2c1cccc2 | None | |||
| CHEMBL56564 | 8417 | 32 | None | -17 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 284 | 2 | 1 | 3 | 3.0 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)c1c[nH]c2c1cccc2 | None | |||
| DB11699 | 8417 | 32 | None | -17 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 284 | 2 | 1 | 3 | 3.0 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)c1c[nH]c2c1cccc2 | None | |||
| 1738 | 66130 | 28 | None | -28 | 10 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | None | |||
| 4098 | 66130 | 28 | None | -28 | 10 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | None | |||
| 8667 | 66130 | 28 | None | -28 | 10 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | None | |||
| CHEMBL1411979 | 66130 | 28 | None | -28 | 10 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | None | |||
| DB04819 | 66130 | 28 | None | -28 | 10 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | None | |||
| 242 | 971 | 74 | None | -3 | 38 | Human | 8.3 | pKi | = | 8.3 | 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 | 8.3 | pKi | = | 8.3 | 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 | 8.3 | pKi | = | 8.3 | 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 | 8.3 | pKi | = | 8.3 | 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 | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| 2180 | 140074 | 14 | None | -53 | 18 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | None | |||
| 6761 | 140074 | 14 | None | -53 | 18 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | None | |||
| CHEMBL1909072 | 140074 | 14 | None | -53 | 18 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | None | |||
| 2090 | 389838 | 56 | None | -17 | 10 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | None | |||
| 4735 | 389838 | 56 | None | -17 | 10 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | None | |||
| CHEMBL55 | 389838 | 56 | None | -17 | 10 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | None | |||
| DB00738 | 389838 | 56 | None | -17 | 10 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | None | |||
| 2436 | 470362 | 35 | None | -7 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | None | |||
| 68617 | 470362 | 35 | None | -7 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | None | |||
| CHEMBL809 | 470362 | 35 | None | -7 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | None | |||
| DB01104 | 470362 | 35 | None | -7 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | None | |||
| 1016 | 8173 | 46 | None | -19 | 35 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | |||
| 2561 | 8173 | 46 | None | -19 | 35 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | |||
| 2733526 | 8173 | 46 | None | -19 | 35 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | |||
| CHEMBL83 | 8173 | 46 | None | -19 | 35 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | |||
| DB00675 | 8173 | 46 | None | -19 | 35 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | |||
| 2495 | 509455 | 0 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 396 | 6 | 0 | 3 | 6.5 | ClC1=CC=C(CS[C@@H](CN2C=CN=C2)C2=CC=C(Cl)C=C2Cl)C=C1 | None | |||
| 3168 | 23567 | 68 | None | -147 | 19 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | None | |||
| 966 | 23567 | 68 | None | -147 | 19 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | None | |||
| CHEMBL1108 | 23567 | 68 | None | -147 | 19 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | None | |||
| DB00450 | 23567 | 68 | None | -147 | 19 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | None | |||
| 2800 | 179440 | 13 | None | -1 | 18 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1 | None | |||
| 700 | 179440 | 13 | None | -1 | 18 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1 | None | |||
| CHEMBL2355051 | 179440 | 13 | None | -1 | 18 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1 | None | |||
| DB00882 | 179440 | 13 | None | -1 | 18 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1 | None | |||
| 176 | 823 | 54 | None | -2 | 31 | Human | 8.2 | pKi | = | 8.2 | Binding | 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 | -2 | 31 | Human | 8.2 | pKi | = | 8.2 | Binding | 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 | -2 | 31 | Human | 8.2 | pKi | = | 8.2 | Binding | 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 | -2 | 31 | Human | 8.2 | pKi | = | 8.2 | Binding | 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 | -2 | 31 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | |||
| 4191 | 38422 | 36 | None | 1 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 411 | 10 | 1 | 4 | 5.4 | CC(C)C(=O)Oc1ccc(CO)cc1[C@H](CCN(C(C)C)C(C)C)c1ccccc1 | None | |||
| 6918558 | 38422 | 36 | None | 1 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 411 | 10 | 1 | 4 | 5.4 | CC(C)C(=O)Oc1ccc(CO)cc1[C@H](CCN(C(C)C)C(C)C)c1ccccc1 | None | |||
| CHEMBL1201764 | 38422 | 36 | None | 1 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 411 | 10 | 1 | 4 | 5.4 | CC(C)C(=O)Oc1ccc(CO)cc1[C@H](CCN(C(C)C)C(C)C)c1ccccc1 | None | |||
| DB06702 | 38422 | 36 | None | 1 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 411 | 10 | 1 | 4 | 5.4 | CC(C)C(=O)Oc1ccc(CO)cc1[C@H](CCN(C(C)C)C(C)C)c1ccccc1 | None | |||
| 124 | 6070 | 37 | None | -77 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| 2032 | 6070 | 37 | None | -77 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| 4636 | 6070 | 37 | None | -77 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| CHEMBL762 | 6070 | 37 | None | -77 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| DB00935 | 6070 | 37 | None | -77 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| 3055 | 2955 | 32 | None | -3 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | None | |||
| 313 | 2955 | 32 | None | -3 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | None | |||
| 7163 | 2955 | 32 | None | -3 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | None | |||
| CHEMBL936 | 2955 | 32 | None | -3 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | None | |||
| DB01231 | 2955 | 32 | None | -3 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | None | |||
| 1200 | 3405 | 44 | None | -12 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | None | |||
| 12488 | 3405 | 44 | None | -12 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | None | |||
| 941361 | 3405 | 44 | None | -12 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | None | |||
| CHEMBL30008 | 3405 | 44 | None | -12 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | None | |||
| DB04841 | 3405 | 44 | None | -12 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | None | |||
| 10104 | 7246 | 46 | None | -91 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 292 | 5 | 0 | 2 | 4.1 | CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C | None | |||
| 12963076 | 7246 | 46 | None | -91 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 292 | 5 | 0 | 2 | 4.1 | CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C | None | |||
| 21855 | 7246 | 46 | None | -91 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 292 | 5 | 0 | 2 | 4.1 | CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C | None | |||
| 6604866 | 7246 | 46 | None | -91 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 292 | 5 | 0 | 2 | 4.1 | CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C | None | |||
| 903 | 7246 | 46 | None | -91 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 292 | 5 | 0 | 2 | 4.1 | CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C | None | |||
| CHEMBL1493369 | 7246 | 46 | None | -91 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 292 | 5 | 0 | 2 | 4.1 | CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C | None | |||
| CHEMBL22108 | 7246 | 46 | None | -91 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 292 | 5 | 0 | 2 | 4.1 | CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C | None | |||
| CHEMBL564226 | 7246 | 46 | None | -91 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 292 | 5 | 0 | 2 | 4.1 | CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C | None | |||
| DB08801 | 7246 | 46 | None | -91 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 292 | 5 | 0 | 2 | 4.1 | CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C | None | |||
| 2106 | 461821 | 25 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 277 | 4 | 1 | 1 | 5.3 | C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1 | None | |||
| 4746 | 461821 | 25 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 277 | 4 | 1 | 1 | 5.3 | C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1 | None | |||
| CHEMBL75880 | 461821 | 25 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 277 | 4 | 1 | 1 | 5.3 | C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1 | None | |||
| DB01074 | 461821 | 25 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 277 | 4 | 1 | 1 | 5.3 | C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1 | None | |||
| 1210 | 1893 | 53 | None | -14 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
| 1213 | 1893 | 53 | None | -14 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
| 2725 | 1893 | 53 | None | -14 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
| 33036 | 1893 | 53 | None | -14 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
| 4411 | 1893 | 53 | None | -14 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
| 5281070 | 1893 | 53 | None | -14 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
| 616 | 1893 | 53 | None | -14 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
| 6976 | 1893 | 53 | None | -14 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
| 716121 | 1893 | 53 | None | -14 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
| 90475904 | 1893 | 53 | None | -14 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
| CHEMBL1200927 | 1893 | 53 | None | -14 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
| CHEMBL1201353 | 1893 | 53 | None | -14 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
| CHEMBL1554789 | 1893 | 53 | None | -14 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
| CHEMBL505 | 1893 | 53 | None | -14 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
| DB01114 | 1893 | 53 | None | -14 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
| DB09555 | 1893 | 53 | None | -14 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
| DB13679 | 1893 | 53 | None | -14 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
| 1353 | 3909 | 69 | None | -74 | 49 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| 3559 | 3909 | 69 | None | -74 | 49 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| 86 | 3909 | 69 | None | -74 | 49 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| CHEMBL54 | 3909 | 69 | None | -74 | 49 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| DB00502 | 3909 | 69 | None | -74 | 49 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| 191 | 833 | 62 | None | -32 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | |||
| 201 | 833 | 62 | None | -32 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | |||
| 2170 | 833 | 62 | None | -32 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | |||
| CHEMBL1113 | 833 | 62 | None | -32 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | |||
| DB00543 | 833 | 62 | None | -32 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | |||
| 1547484 | 1937 | 56 | None | -9 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | |||
| 2761 | 1937 | 56 | None | -9 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | |||
| 654 | 1937 | 56 | None | -9 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | |||
| 9072 | 1937 | 56 | None | -9 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | |||
| CHEMBL43064 | 1937 | 56 | None | -9 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | |||
| DB00568 | 1937 | 56 | None | -9 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | |||
| 2247 | 1042 | 63 | None | -23 | 37 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | |||
| 249 | 1042 | 63 | None | -23 | 37 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | |||
| 2603 | 1042 | 63 | None | -23 | 37 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | |||
| CHEMBL296419 | 1042 | 63 | None | -23 | 37 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | |||
| DB00637 | 1042 | 63 | None | -23 | 37 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | |||
| 6726 | 2642 | 44 | None | -9 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | |||
| 7151 | 2642 | 44 | None | -9 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | |||
| 749 | 2642 | 44 | None | -9 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | |||
| CHEMBL648 | 2642 | 44 | None | -9 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | |||
| DB01176 | 2642 | 44 | None | -9 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | |||
| 1592 | 473362 | 45 | None | -1 | 10 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 418 | 7 | 0 | 3 | 5.8 | CN(CCCN1c2ccccc2CCc2ccccc21)CC(=O)c1ccc(Cl)cc1 | None | |||
| 3947 | 473362 | 45 | None | -1 | 10 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 418 | 7 | 0 | 3 | 5.8 | CN(CCCN1c2ccccc2CCc2ccccc21)CC(=O)c1ccc(Cl)cc1 | None | |||
| CHEMBL87708 | 473362 | 45 | None | -1 | 10 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 418 | 7 | 0 | 3 | 5.8 | CN(CCCN1c2ccccc2CCc2ccccc21)CC(=O)c1ccc(Cl)cc1 | None | |||
| DB13411 | 473362 | 45 | None | -1 | 10 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 418 | 7 | 0 | 3 | 5.8 | CN(CCCN1c2ccccc2CCc2ccccc21)CC(=O)c1ccc(Cl)cc1 | None | |||
| 3468 | 350117 | 13 | None | -1 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | None | |||
| 4138 | 350117 | 13 | None | -1 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | None | |||
| CHEMBL459265 | 350117 | 13 | None | -1 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | None | |||
| DB00406 | 350117 | 13 | None | -1 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | None | |||
| 1212 | 3415 | 38 | None | -3 | 41 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| 204 | 3415 | 38 | None | -3 | 41 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| 3372 | 3415 | 38 | None | -3 | 41 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| CHEMBL726 | 3415 | 38 | None | -3 | 41 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| DB00623 | 3415 | 38 | None | -3 | 41 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| 1214 | 506896 | 0 | None | -1 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 549 | 12 | 0 | 6 | 6.8 | CCCCCCC(=O)OCCN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F | None | |||
| 3372 | 506896 | 0 | None | -1 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 549 | 12 | 0 | 6 | 6.8 | CCCCCCC(=O)OCCN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F | None | |||
| 2200 | 6369 | 35 | None | -6 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | |||
| 328 | 6369 | 35 | None | -6 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | |||
| 4848 | 6369 | 35 | None | -6 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | |||
| CHEMBL9967 | 6369 | 35 | None | -6 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | |||
| DB00670 | 6369 | 35 | None | -6 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | |||
| 10660 | 2953 | 69 | None | -3 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | |||
| 1224 | 2953 | 69 | None | -3 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | |||
| 3100 | 2953 | 69 | None | -3 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | |||
| 441281 | 2953 | 69 | None | -3 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | |||
| 8980 | 2953 | 69 | None | -3 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | |||
| 916 | 2953 | 69 | None | -3 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | |||
| CHEMBL1200406 | 2953 | 69 | None | -3 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | |||
| CHEMBL657 | 2953 | 69 | None | -3 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | |||
| DB00985 | 2953 | 69 | None | -3 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | |||
| DB01075 | 2953 | 69 | None | -3 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | |||
| DB13636 | 2953 | 69 | None | -3 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | |||
| 103 | 8980 | 49 | None | -3 | 31 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 2875 | 8980 | 49 | None | -3 | 31 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 5736 | 8980 | 49 | None | -3 | 31 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| CHEMBL285802 | 8980 | 49 | None | -3 | 31 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| DB09225 | 8980 | 49 | None | -3 | 31 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 3191 | 202914 | 68 | None | -7 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | None | |||
| 977 | 202914 | 68 | None | -7 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | None | |||
| CHEMBL305660 | 202914 | 68 | None | -7 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | None | |||
| DB11742 | 202914 | 68 | None | -7 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | None | |||
| 135 | 5144 | 38 | None | -27 | 42 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | |||
| 1796 | 5144 | 38 | None | -27 | 42 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | |||
| 4184 | 5144 | 38 | None | -27 | 42 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | |||
| CHEMBL6437 | 5144 | 38 | None | -27 | 42 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | |||
| DB06148 | 5144 | 38 | None | -27 | 42 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | |||
| 2274 | 6448 | 36 | None | -8 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | |||
| 4917 | 6448 | 36 | None | -8 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | |||
| 7279 | 6448 | 36 | None | -8 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | |||
| CHEMBL728 | 6448 | 36 | None | -8 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | |||
| DB00433 | 6448 | 36 | None | -8 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | |||
| 1613 | 4786 | 46 | None | -1 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | |||
| 205 | 4786 | 46 | None | -1 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | |||
| 3964 | 4786 | 46 | None | -1 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | |||
| CHEMBL831 | 4786 | 46 | None | -1 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | |||
| DB00408 | 4786 | 46 | None | -1 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | |||
| 2995 | 469311 | 34 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | None | |||
| 812 | 469311 | 34 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | None | |||
| CHEMBL72 | 469311 | 34 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | None | |||
| DB01151 | 469311 | 34 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | None | |||
| 2320 | 468583 | 19 | None | -1 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 4 | 1 | 1 | 4.3 | CNCCCC1c2ccccc2C=Cc2ccccc21 | None | |||
| 4976 | 468583 | 19 | None | -1 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 4 | 1 | 1 | 4.3 | CNCCCC1c2ccccc2C=Cc2ccccc21 | None | |||
| CHEMBL668 | 468583 | 19 | None | -1 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 4 | 1 | 1 | 4.3 | CNCCCC1c2ccccc2C=Cc2ccccc21 | None | |||
| DB00344 | 468583 | 19 | None | -1 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 4 | 1 | 1 | 4.3 | CNCCCC1c2ccccc2C=Cc2ccccc21 | None | |||
| 1634 | 163834 | 36 | None | -11 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | None | |||
| 4011 | 163834 | 36 | None | -11 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | None | |||
| CHEMBL21731 | 163834 | 36 | None | -11 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | None | |||
| DB00934 | 163834 | 36 | None | -11 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | None | |||
| 1971 | 5840 | 38 | None | -2 | 24 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | None | |||
| 2404 | 5840 | 38 | None | -2 | 24 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | None | |||
| 4543 | 5840 | 38 | None | -2 | 24 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | None | |||
| CHEMBL445 | 5840 | 38 | None | -2 | 24 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | None | |||
| DB00540 | 5840 | 38 | None | -2 | 24 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | None | |||
| 2335 | 26122 | 15 | None | -1 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | None | |||
| 3018 | 26122 | 15 | None | -1 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | None | |||
| CHEMBL1182210 | 26122 | 15 | None | -1 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | None | |||
| DB11125 | 26122 | 15 | None | -1 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | None | |||
| 3155 | 77368 | 13 | None | -1 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 295 | 3 | 0 | 2 | 4.7 | CN(C)CC/C=C1\c2ccccc2CSc2ccccc21 | None | |||
| 5284550 | 77368 | 13 | None | -1 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 295 | 3 | 0 | 2 | 4.7 | CN(C)CC/C=C1\c2ccccc2CSc2ccccc21 | None | |||
| 951 | 77368 | 13 | None | -1 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 295 | 3 | 0 | 2 | 4.7 | CN(C)CC/C=C1\c2ccccc2CSc2ccccc21 | None | |||
| CHEMBL108947 | 77368 | 13 | None | -1 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 295 | 3 | 0 | 2 | 4.7 | CN(C)CC/C=C1\c2ccccc2CSc2ccccc21 | None | |||
| CHEMBL1492500 | 77368 | 13 | None | -1 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 295 | 3 | 0 | 2 | 4.7 | CN(C)CC/C=C1\c2ccccc2CSc2ccccc21 | None | |||
| DB09167 | 77368 | 13 | None | -1 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 295 | 3 | 0 | 2 | 4.7 | CN(C)CC/C=C1\c2ccccc2CSc2ccccc21 | None | |||
| 2068 | 370177 | 47 | None | -41 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | None | |||
| 43815 | 370177 | 47 | None | -41 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | None | |||
| CHEMBL490 | 370177 | 47 | None | -41 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | None | |||
| DB00715 | 370177 | 47 | None | -41 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | None | |||
| 1427 | 4113 | 43 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | |||
| 357 | 4113 | 43 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | |||
| 3696 | 4113 | 43 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | |||
| CHEMBL11 | 4113 | 43 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | |||
| DB00458 | 4113 | 43 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | |||
| 3652 | 8876 | 57 | None | -8 | 18 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | |||
| 57 | 8876 | 57 | None | -8 | 18 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | |||
| 60809 | 8876 | 57 | None | -8 | 18 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | |||
| CHEMBL21536 | 8876 | 57 | None | -8 | 18 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | |||
| DB15357 | 8876 | 57 | None | -8 | 18 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | |||
| 306 | 7028 | 17 | None | 2 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | None | |||
| 3536 | 7028 | 17 | None | 2 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | None | |||
| 9577995 | 7028 | 17 | None | 2 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | None | |||
| CHEMBL134641 | 7028 | 17 | None | 2 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | None | |||
| 3158 | 18465 | 32 | None | -23 | 22 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(C)CC/C=C1/c2ccccc2COc2ccccc21 | None | |||
| 667468 | 18465 | 32 | None | -23 | 22 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(C)CC/C=C1/c2ccccc2COc2ccccc21 | None | |||
| 956 | 18465 | 32 | None | -23 | 22 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(C)CC/C=C1/c2ccccc2COc2ccccc21 | None | |||
| CHEMBL101740 | 18465 | 32 | None | -23 | 22 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(C)CC/C=C1/c2ccccc2COc2ccccc21 | None | |||
| CHEMBL1628227 | 18465 | 32 | None | -23 | 22 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(C)CC/C=C1/c2ccccc2COc2ccccc21 | None | |||
| DB01142 | 18465 | 32 | None | -23 | 22 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(C)CC/C=C1/c2ccccc2COc2ccccc21 | None | |||
| DB14750 | 18465 | 32 | None | -23 | 22 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(C)CC/C=C1/c2ccccc2COc2ccccc21 | None | |||
| 2774 | 8415 | 68 | None | -3 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | |||
| 5593 | 8415 | 68 | None | -3 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | |||
| 688595 | 8415 | 68 | None | -3 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | |||
| 7319 | 8415 | 68 | None | -3 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | |||
| CHEMBL1200604 | 8415 | 68 | None | -3 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | |||
| CHEMBL1457550 | 8415 | 68 | None | -3 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | |||
| DB00809 | 8415 | 68 | None | -3 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | |||
| DB01199 | 8415 | 68 | None | -3 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | |||
| 154059 | 7390 | 37 | None | -3 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | None | |||
| 2457 | 7390 | 37 | None | -3 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | None | |||
| 7483 | 7390 | 37 | None | -3 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | None | |||
| CHEMBL1734 | 7390 | 37 | None | -3 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | None | |||
| DB01591 | 7390 | 37 | None | -3 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | None | |||
| 1712 | 5065 | 36 | None | -1 | 14 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | None | |||
| 4078 | 5065 | 36 | None | -1 | 14 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | None | |||
| 7227 | 5065 | 36 | None | -1 | 14 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | None | |||
| CHEMBL1088 | 5065 | 36 | None | -1 | 14 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | None | |||
| DB00933 | 5065 | 36 | None | -1 | 14 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | None | |||
| 124087 | 2860 | 75 | None | -22 | 15 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | None | |||
| 7157 | 2860 | 75 | None | -22 | 15 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | None | |||
| 814 | 2860 | 75 | None | -22 | 15 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | None | |||
| CHEMBL1172 | 2860 | 75 | None | -22 | 15 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | None | |||
| DB00967 | 2860 | 75 | None | -22 | 15 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | None | |||
| 2284 | 6466 | 25 | None | -9 | 23 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | |||
| 4926 | 6466 | 25 | None | -9 | 23 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | |||
| 7281 | 6466 | 25 | None | -9 | 23 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | |||
| CHEMBL564 | 6466 | 25 | None | -9 | 23 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | |||
| DB00420 | 6466 | 25 | None | -9 | 23 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | |||
| 2726 | 1895 | 54 | None | -5 | 48 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 621 | 1895 | 54 | None | -5 | 48 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 83 | 1895 | 54 | None | -5 | 48 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| CHEMBL71 | 1895 | 54 | None | -5 | 48 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| DB00477 | 1895 | 54 | None | -5 | 48 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 1379 | 116475 | 17 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 275 | 3 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)c1ccccc1)C2 | None | |||
| 5282593 | 116475 | 17 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 275 | 3 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)c1ccccc1)C2 | None | |||
| CHEMBL1618018 | 116475 | 17 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 275 | 3 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)c1ccccc1)C2 | None | |||
| DB11181 | 116475 | 17 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 275 | 3 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)c1ccccc1)C2 | None | |||
| 2398 | 1965 | 48 | None | -2 | 22 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | None | |||
| 2801 | 1965 | 48 | None | -2 | 22 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | None | |||
| 701 | 1965 | 48 | None | -2 | 22 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | None | |||
| CHEMBL415 | 1965 | 48 | None | -2 | 22 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | None | |||
| DB01242 | 1965 | 48 | None | -2 | 22 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | None | |||
| 62865 | 2630 | 0 | None | -1 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 323 | 4 | 0 | 4 | 4.4 | N#Cc1ccc2c(c1)N(CC(CN(C)C)C)c1c(S2)cccc1 | None | |||
| 746 | 2630 | 0 | None | -1 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 323 | 4 | 0 | 4 | 4.4 | N#Cc1ccc2c(c1)N(CC(CN(C)C)C)c1c(S2)cccc1 | None | |||
| 84 | 2630 | 0 | None | -1 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 323 | 4 | 0 | 4 | 4.4 | N#Cc1ccc2c(c1)N(CC(CN(C)C)C)c1c(S2)cccc1 | None | |||
| CHEMBL2104153 | 2630 | 0 | None | -1 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 323 | 4 | 0 | 4 | 4.4 | N#Cc1ccc2c(c1)N(CC(CN(C)C)C)c1c(S2)cccc1 | None | |||
| DB09000 | 2630 | 0 | None | -1 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 323 | 4 | 0 | 4 | 4.4 | N#Cc1ccc2c(c1)N(CC(CN(C)C)C)c1c(S2)cccc1 | None | |||
| 1688 | 296777 | 35 | None | -2 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | None | |||
| 6075 | 296777 | 35 | None | -2 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | None | |||
| CHEMBL395110 | 296777 | 35 | None | -2 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | None | |||
| 2800 | 159972 | 9 | None | -2 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 306 | 9 | 0 | 2 | 3.8 | CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1 | None | |||
| 5648 | 159972 | 9 | None | -2 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 306 | 9 | 0 | 2 | 3.8 | CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1 | None | |||
| CHEMBL2111176 | 159972 | 9 | None | -2 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 306 | 9 | 0 | 2 | 3.8 | CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1 | None | |||
| DB13497 | 159972 | 9 | None | -2 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 306 | 9 | 0 | 2 | 3.8 | CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1 | None | |||
| 2276 | 473216 | 16 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 5 | 1 | 2 | 3.9 | OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1 | None | |||
| 4919 | 473216 | 16 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 5 | 1 | 2 | 3.9 | OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1 | None | |||
| CHEMBL86715 | 473216 | 16 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 5 | 1 | 2 | 3.9 | OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1 | None | |||
| DB00387 | 473216 | 16 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 5 | 1 | 2 | 3.9 | OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1 | None | |||
| 1999 | 473057 | 30 | None | -1 | 13 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | None | |||
| 4601 | 473057 | 30 | None | -1 | 13 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | None | |||
| CHEMBL900 | 473057 | 30 | None | -1 | 13 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | None | |||
| DB01173 | 473057 | 30 | None | -1 | 13 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | None | |||
| 1530 | 4450 | 49 | None | -66 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | |||
| 3827 | 4450 | 49 | None | -66 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | |||
| 7206 | 4450 | 49 | None | -66 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | |||
| CHEMBL534 | 4450 | 49 | None | -66 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | |||
| DB00920 | 4450 | 49 | None | -66 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | |||
| 2424 | 509454 | 0 | None | 1 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 303 | 4 | 1 | 5 | 0.9 | CN1[C@H]2C[C@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)C1=CC=CC=C1 | None | |||
| 135398737 | 1973 | 61 | None | -8 | 61 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 2818 | 1973 | 61 | None | -8 | 61 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 38 | 1973 | 61 | None | -8 | 61 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 722 | 1973 | 61 | None | -8 | 61 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| CHEMBL253391 | 1973 | 61 | None | -8 | 61 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| CHEMBL42 | 1973 | 61 | None | -8 | 61 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| DB00363 | 1973 | 61 | None | -8 | 61 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 180 | 829 | 44 | None | -6 | 32 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | |||
| 200 | 829 | 44 | None | -6 | 32 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | |||
| 2160 | 829 | 44 | None | -6 | 32 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | |||
| CHEMBL629 | 829 | 44 | None | -6 | 32 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | |||
| DB00321 | 829 | 44 | None | -6 | 32 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | |||
| 2263 | 311473 | 35 | None | 1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 295 | 5 | 1 | 2 | 3.8 | OC(CCN1CCCCC1)(c1ccccc1)c1ccccc1 | None | |||
| 4904 | 311473 | 35 | None | 1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 295 | 5 | 1 | 2 | 3.8 | OC(CCN1CCCCC1)(c1ccccc1)c1ccccc1 | None | |||
| CHEMBL404215 | 311473 | 35 | None | 1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 295 | 5 | 1 | 2 | 3.8 | OC(CCN1CCCCC1)(c1ccccc1)c1ccccc1 | None | |||
| DB13642 | 311473 | 35 | None | 1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 295 | 5 | 1 | 2 | 3.8 | OC(CCN1CCCCC1)(c1ccccc1)c1ccccc1 | None | |||
| 2028 | 6066 | 59 | None | -5 | 10 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | |||
| 359 | 6066 | 59 | None | -5 | 10 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | |||
| 4634 | 6066 | 59 | None | -5 | 10 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | |||
| CHEMBL1231 | 6066 | 59 | None | -5 | 10 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | |||
| DB01062 | 6066 | 59 | None | -5 | 10 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | |||
| 100 | 8289 | 46 | None | -3 | 34 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
| 2637 | 8289 | 46 | None | -3 | 34 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
| 5452 | 8289 | 46 | None | -3 | 34 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
| CHEMBL479 | 8289 | 46 | None | -3 | 34 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
| DB00679 | 8289 | 46 | None | -3 | 34 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
| 135398745 | 5933 | 69 | None | -5 | 45 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| 1982 | 5933 | 69 | None | -5 | 45 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| 4585 | 5933 | 69 | None | -5 | 45 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| 47 | 5933 | 69 | None | -5 | 45 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| CHEMBL715 | 5933 | 69 | None | -5 | 45 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| DB00334 | 5933 | 69 | None | -5 | 45 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| 2381 | 1364 | 33 | None | -3 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | None | |||
| 374 | 1364 | 33 | None | -3 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | None | |||
| 7128 | 1364 | 33 | None | -3 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | None | |||
| CHEMBL1101 | 1364 | 33 | None | -3 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | None | |||
| DB00810 | 1364 | 33 | None | -3 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | None | |||
| 10129 | 6757 | 53 | None | -5 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 597 | 10 | 2 | 6 | 4.8 | O=C(Nc1ccccc1c1ccccc1)OC1CCN(CC1)CCN(C(=O)c1ccc(cc1)CN1CCC(CC1)C(=O)N)C | None | |||
| 11753673 | 6757 | 53 | None | -5 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 597 | 10 | 2 | 6 | 4.8 | O=C(Nc1ccccc1c1ccccc1)OC1CCN(CC1)CCN(C(=O)c1ccc(cc1)CN1CCC(CC1)C(=O)N)C | None | |||
| 5303 | 6757 | 53 | None | -5 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 597 | 10 | 2 | 6 | 4.8 | O=C(Nc1ccccc1c1ccccc1)OC1CCN(CC1)CCN(C(=O)c1ccc(cc1)CN1CCC(CC1)C(=O)N)C | None | |||
| CHEMBL3833319 | 6757 | 53 | None | -5 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 597 | 10 | 2 | 6 | 4.8 | O=C(Nc1ccccc1c1ccccc1)OC1CCN(CC1)CCN(C(=O)c1ccc(cc1)CN1CCC(CC1)C(=O)N)C | None | |||
| DB11855 | 6757 | 53 | None | -5 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 597 | 10 | 2 | 6 | 4.8 | O=C(Nc1ccccc1c1ccccc1)OC1CCN(CC1)CCN(C(=O)c1ccc(cc1)CN1CCC(CC1)C(=O)N)C | None | |||
| 26987 | 1955 | 32 | None | -39 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | |||
| 6063 | 1955 | 32 | None | -39 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | |||
| 671 | 1955 | 32 | None | -39 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | |||
| CHEMBL1626 | 1955 | 32 | None | -39 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | |||
| DB00283 | 1955 | 32 | None | -39 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | |||
| 1371 | 3935 | 8 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 317 | 4 | 1 | 2 | 2.8 | C[N+]1(C)CCN(CC1)CC(c1ccccc1)(C1CCCCC1)O | None | |||
| 24199 | 3935 | 8 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 317 | 4 | 1 | 2 | 2.8 | C[N+]1(C)CCN(CC1)CC(c1ccccc1)(C1CCCCC1)O | None | |||
| 323 | 3935 | 8 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 317 | 4 | 1 | 2 | 2.8 | C[N+]1(C)CCN(CC1)CC(c1ccccc1)(C1CCCCC1)O | None | |||
| CHEMBL1201325 | 3935 | 8 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 317 | 4 | 1 | 2 | 2.8 | C[N+]1(C)CCN(CC1)CC(c1ccccc1)(C1CCCCC1)O | None | |||
| DB06787 | 3935 | 8 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 317 | 4 | 1 | 2 | 2.8 | C[N+]1(C)CCN(CC1)CC(c1ccccc1)(C1CCCCC1)O | None | |||
| 2286 | 6468 | 43 | None | -5 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | |||
| 4927 | 6468 | 43 | None | -5 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | |||
| 7282 | 6468 | 43 | None | -5 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | |||
| CHEMBL643 | 6468 | 43 | None | -5 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | |||
| DB01069 | 6468 | 43 | None | -5 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | |||
| 1201549 | 1234 | 18 | None | -3 | 20 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | |||
| 333 | 1234 | 18 | None | -3 | 20 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | |||
| 7601 | 1234 | 18 | None | -3 | 20 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | |||
| CHEMBL1201203 | 1234 | 18 | None | -3 | 20 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | |||
| DB00245 | 1234 | 18 | None | -3 | 20 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | |||
| 277 | 2680 | 45 | None | -8 | 34 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | |||
| 2913 | 2680 | 45 | None | -8 | 34 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | |||
| 765 | 2680 | 45 | None | -8 | 34 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | |||
| CHEMBL516 | 2680 | 45 | None | -8 | 34 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | |||
| DB00434 | 2680 | 45 | None | -8 | 34 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | |||
| 321 | 2732 | 0 | None | -6 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | 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 | -6 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | 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 | -6 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | 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 | -6 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | 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 | -6 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | None | |||
| 2705 | 8363 | 46 | None | 1 | 11 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | None | |||
| 360 | 8363 | 46 | None | 1 | 11 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | None | |||
| 443879 | 8363 | 46 | None | 1 | 11 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | None | |||
| CHEMBL1382 | 8363 | 46 | None | 1 | 11 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | None | |||
| DB01036 | 8363 | 46 | None | 1 | 11 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | None | |||
| 2705 | 8363 | 46 | None | -1 | 11 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | None | |||
| 360 | 8363 | 46 | None | -1 | 11 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | None | |||
| 443879 | 8363 | 46 | None | -1 | 11 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | None | |||
| CHEMBL1382 | 8363 | 46 | None | -1 | 11 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | None | |||
| DB01036 | 8363 | 46 | None | -1 | 11 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | None | |||
| 3042 | 2911 | 27 | None | -2 | 13 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | |||
| 355 | 2911 | 27 | None | -2 | 13 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | |||
| 868 | 2911 | 27 | None | -2 | 13 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | |||
| CHEMBL1123 | 2911 | 27 | None | -2 | 13 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | |||
| DB00804 | 2911 | 27 | None | -2 | 13 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | |||
| 1475 | 116491 | 8 | None | -3 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | None | |||
| 657308 | 116491 | 8 | None | -3 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | None | |||
| 657309 | 116491 | 8 | None | -3 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | None | |||
| CHEMBL1621597 | 116491 | 8 | None | -3 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | None | |||
| DB00332 | 116491 | 8 | None | -3 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | None | |||
| 3494 | 3732 | 12 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | None | |||
| 4302 | 3732 | 12 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | None | |||
| 7459 | 3732 | 12 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | None | |||
| 9933193 | 3732 | 12 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | None | |||
| CHEMBL1201335 | 3732 | 12 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | None | |||
| DB00986 | 3732 | 12 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | None | |||
| 1402 | 1082 | 53 | None | -1 | 16 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | None | |||
| 154417 | 1082 | 53 | None | -1 | 16 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | None | |||
| 174174 | 1082 | 53 | None | -1 | 16 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | None | |||
| 260 | 1082 | 53 | None | -1 | 16 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | None | |||
| 320 | 1082 | 53 | None | -1 | 16 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | None | |||
| CHEMBL1331216 | 1082 | 53 | None | -1 | 16 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | None | |||
| CHEMBL517712 | 1082 | 53 | None | -1 | 16 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | None | |||
| DB00424 | 1082 | 53 | None | -1 | 16 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | None | |||
| DB00572 | 1082 | 53 | None | -1 | 16 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | None | |||
| 1402 | 1082 | 53 | None | -1 | 16 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | None | |||
| 154417 | 1082 | 53 | None | -1 | 16 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | None | |||
| 174174 | 1082 | 53 | None | -1 | 16 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | None | |||
| 260 | 1082 | 53 | None | -1 | 16 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | None | |||
| 320 | 1082 | 53 | None | -1 | 16 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | None | |||
| CHEMBL1331216 | 1082 | 53 | None | -1 | 16 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | None | |||
| CHEMBL517712 | 1082 | 53 | None | -1 | 16 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | None | |||
| DB00424 | 1082 | 53 | None | -1 | 16 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | None | |||
| DB00572 | 1082 | 53 | None | -1 | 16 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | None | |||
| 1402 | 1082 | 53 | None | -1 | 16 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | None | |||
| 154417 | 1082 | 53 | None | -1 | 16 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | None | |||
| 174174 | 1082 | 53 | None | -1 | 16 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | None | |||
| 260 | 1082 | 53 | None | -1 | 16 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | None | |||
| 320 | 1082 | 53 | None | -1 | 16 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | None | |||
| CHEMBL1331216 | 1082 | 53 | None | -1 | 16 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | None | |||
| CHEMBL517712 | 1082 | 53 | None | -1 | 16 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | None | |||
| DB00424 | 1082 | 53 | None | -1 | 16 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | None | |||
| DB00572 | 1082 | 53 | None | -1 | 16 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | None | |||
| 1757 | 270505 | 11 | None | -1 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | None | |||
| 23724781 | 270505 | 11 | None | -1 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | None | |||
| 71183 | 270505 | 11 | None | -1 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | None | |||
| CHEMBL1354199 | 270505 | 11 | None | -1 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | None | |||
| CHEMBL376897 | 270505 | 11 | None | -1 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | None | |||
| DB00462 | 270505 | 11 | None | -1 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | None | |||
| DB11315 | 270505 | 11 | None | -1 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | None | |||
| 11519070 | 8553 | 4 | None | -3 | 5 | Human | 8.0 | pKi | = | 8 | Binding | Drug Central | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | None | |||
| 4816 | 8553 | 4 | None | -3 | 5 | Human | 8.0 | pKi | = | 8 | Binding | Drug Central | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | None | |||
| 7354 | 8553 | 4 | None | -3 | 5 | Human | 8.0 | pKi | = | 8 | Binding | Drug Central | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | None | |||
| CHEMBL1187833 | 8553 | 4 | None | -3 | 5 | Human | 8.0 | pKi | = | 8 | Binding | Drug Central | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | None | |||
| DB09076 | 8553 | 4 | None | -3 | 5 | Human | 8.0 | pKi | = | 8 | Binding | Drug Central | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | None | |||
| 10104 | 7246 | 46 | None | -91 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | Guide to Pharmacology | 292 | 5 | 0 | 2 | 4.1 | CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C | 12593665 | |||
| 12963076 | 7246 | 46 | None | -91 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | Guide to Pharmacology | 292 | 5 | 0 | 2 | 4.1 | CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C | 12593665 | |||
| 21855 | 7246 | 46 | None | -91 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | Guide to Pharmacology | 292 | 5 | 0 | 2 | 4.1 | CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C | 12593665 | |||
| 6604866 | 7246 | 46 | None | -91 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | Guide to Pharmacology | 292 | 5 | 0 | 2 | 4.1 | CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C | 12593665 | |||
| 903 | 7246 | 46 | None | -91 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | Guide to Pharmacology | 292 | 5 | 0 | 2 | 4.1 | CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C | 12593665 | |||
| CHEMBL1493369 | 7246 | 46 | None | -91 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | Guide to Pharmacology | 292 | 5 | 0 | 2 | 4.1 | CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C | 12593665 | |||
| CHEMBL22108 | 7246 | 46 | None | -91 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | Guide to Pharmacology | 292 | 5 | 0 | 2 | 4.1 | CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C | 12593665 | |||
| CHEMBL564226 | 7246 | 46 | None | -91 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | Guide to Pharmacology | 292 | 5 | 0 | 2 | 4.1 | CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C | 12593665 | |||
| DB08801 | 7246 | 46 | None | -91 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | Guide to Pharmacology | 292 | 5 | 0 | 2 | 4.1 | CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C | 12593665 | |||
| 10129 | 6757 | 53 | None | -5 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 597 | 10 | 2 | 6 | 4.8 | O=C(Nc1ccccc1c1ccccc1)OC1CCN(CC1)CCN(C(=O)c1ccc(cc1)CN1CCC(CC1)C(=O)N)C | 29736245 | |||
| 11753673 | 6757 | 53 | None | -5 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 597 | 10 | 2 | 6 | 4.8 | O=C(Nc1ccccc1c1ccccc1)OC1CCN(CC1)CCN(C(=O)c1ccc(cc1)CN1CCC(CC1)C(=O)N)C | 29736245 | |||
| 5303 | 6757 | 53 | None | -5 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 597 | 10 | 2 | 6 | 4.8 | O=C(Nc1ccccc1c1ccccc1)OC1CCN(CC1)CCN(C(=O)c1ccc(cc1)CN1CCC(CC1)C(=O)N)C | 29736245 | |||
| CHEMBL3833319 | 6757 | 53 | None | -5 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 597 | 10 | 2 | 6 | 4.8 | O=C(Nc1ccccc1c1ccccc1)OC1CCN(CC1)CCN(C(=O)c1ccc(cc1)CN1CCC(CC1)C(=O)N)C | 29736245 | |||
| DB11855 | 6757 | 53 | None | -5 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 597 | 10 | 2 | 6 | 4.8 | O=C(Nc1ccccc1c1ccccc1)OC1CCN(CC1)CCN(C(=O)c1ccc(cc1)CN1CCC(CC1)C(=O)N)C | 29736245 | |||
| 367 | 8326 | 0 | None | -2 | 5 | Human | 10.0 | pKi | = | 10 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 21036042 | |||
| 367 | 8326 | 0 | None | -2 | 5 | Human | 10.0 | pKi | = | 10 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 22854200 | |||
| 5487427 | 8326 | 0 | None | -2 | 5 | Human | 10.0 | pKi | = | 10 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 21036042 | |||
| 5487427 | 8326 | 0 | None | -2 | 5 | Human | 10.0 | pKi | = | 10 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 22854200 | |||
| CHEMBL1900528 | 8326 | 0 | None | -2 | 5 | Human | 10.0 | pKi | = | 10 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 21036042 | |||
| CHEMBL1900528 | 8326 | 0 | None | -2 | 5 | Human | 10.0 | pKi | = | 10 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 22854200 | |||
| CHEMBL3305968 | 8326 | 0 | None | -2 | 5 | Human | 10.0 | pKi | = | 10 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 21036042 | |||
| CHEMBL3305968 | 8326 | 0 | None | -2 | 5 | Human | 10.0 | pKi | = | 10 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 22854200 | |||
| DB01409 | 8326 | 0 | None | -2 | 5 | Human | 10.0 | pKi | = | 10 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 21036042 | |||
| DB01409 | 8326 | 0 | None | -2 | 5 | Human | 10.0 | pKi | = | 10 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 22854200 | |||
| 2551 | 1644 | 11 | None | -363 | 11 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10323594 | |||
| 2551 | 1644 | 11 | None | -363 | 11 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 16002459 | |||
| 2551 | 1644 | 11 | None | -363 | 11 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 27461343 | |||
| 298 | 1644 | 11 | None | -363 | 11 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10323594 | |||
| 298 | 1644 | 11 | None | -363 | 11 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 16002459 | |||
| 298 | 1644 | 11 | None | -363 | 11 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 27461343 | |||
| 488 | 1644 | 11 | None | -363 | 11 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10323594 | |||
| 488 | 1644 | 11 | None | -363 | 11 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 16002459 | |||
| 488 | 1644 | 11 | None | -363 | 11 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 27461343 | |||
| 5831 | 1644 | 11 | None | -363 | 11 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10323594 | |||
| 5831 | 1644 | 11 | None | -363 | 11 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 16002459 | |||
| 5831 | 1644 | 11 | None | -363 | 11 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 27461343 | |||
| CHEMBL965 | 1644 | 11 | None | -363 | 11 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10323594 | |||
| CHEMBL965 | 1644 | 11 | None | -363 | 11 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 16002459 | |||
| CHEMBL965 | 1644 | 11 | None | -363 | 11 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 27461343 | |||
| DB00411 | 1644 | 11 | None | -363 | 11 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10323594 | |||
| DB00411 | 1644 | 11 | None | -363 | 11 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 16002459 | |||
| DB00411 | 1644 | 11 | None | -363 | 11 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 27461343 | |||
| 2166 | 6354 | 42 | None | -1819 | 8 | Human | 5.0 | pKi | = | 5 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 16002459 | |||
| 2166 | 6354 | 42 | None | -1819 | 8 | Human | 5.0 | pKi | = | 5 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 27461343 | |||
| 2166 | 6354 | 42 | None | -1819 | 8 | Human | 5.0 | pKi | = | 5 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 7616422 | |||
| 305 | 6354 | 42 | None | -1819 | 8 | Human | 5.0 | pKi | = | 5 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 16002459 | |||
| 305 | 6354 | 42 | None | -1819 | 8 | Human | 5.0 | pKi | = | 5 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 27461343 | |||
| 305 | 6354 | 42 | None | -1819 | 8 | Human | 5.0 | pKi | = | 5 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 7616422 | |||
| 5910 | 6354 | 42 | None | -1819 | 8 | Human | 5.0 | pKi | = | 5 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 16002459 | |||
| 5910 | 6354 | 42 | None | -1819 | 8 | Human | 5.0 | pKi | = | 5 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 27461343 | |||
| 5910 | 6354 | 42 | None | -1819 | 8 | Human | 5.0 | pKi | = | 5 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 7616422 | |||
| 91468 | 6354 | 42 | None | -1819 | 8 | Human | 5.0 | pKi | = | 5 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 16002459 | |||
| 91468 | 6354 | 42 | None | -1819 | 8 | Human | 5.0 | pKi | = | 5 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 27461343 | |||
| 91468 | 6354 | 42 | None | -1819 | 8 | Human | 5.0 | pKi | = | 5 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 7616422 | |||
| CHEMBL550 | 6354 | 42 | None | -1819 | 8 | Human | 5.0 | pKi | = | 5 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 16002459 | |||
| CHEMBL550 | 6354 | 42 | None | -1819 | 8 | Human | 5.0 | pKi | = | 5 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 27461343 | |||
| CHEMBL550 | 6354 | 42 | None | -1819 | 8 | Human | 5.0 | pKi | = | 5 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 7616422 | |||
| CHEMBL91776 | 6354 | 42 | None | -1819 | 8 | Human | 5.0 | pKi | = | 5 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 16002459 | |||
| CHEMBL91776 | 6354 | 42 | None | -1819 | 8 | Human | 5.0 | pKi | = | 5 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 27461343 | |||
| CHEMBL91776 | 6354 | 42 | None | -1819 | 8 | Human | 5.0 | pKi | = | 5 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 7616422 | |||
| DB01085 | 6354 | 42 | None | -1819 | 8 | Human | 5.0 | pKi | = | 5 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 16002459 | |||
| DB01085 | 6354 | 42 | None | -1819 | 8 | Human | 5.0 | pKi | = | 5 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 27461343 | |||
| DB01085 | 6354 | 42 | None | -1819 | 8 | Human | 5.0 | pKi | = | 5 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 7616422 | |||
| 107867 | 6054 | 42 | None | -58 | 10 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 2704370 | |||
| 309 | 6054 | 42 | None | -58 | 10 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 2704370 | |||
| CHEMBL17045 | 6054 | 42 | None | -58 | 10 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 2704370 | |||
| 24768606 | 8737 | 49 | None | -158 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 432 | 6 | 1 | 8 | 1.1 | O=C(N1CCN(CC1)c1ccncc1)CCNS(=O)(=O)c1cccc2c1nsn2 | 19407080 | |||
| 3274 | 8737 | 49 | None | -158 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 432 | 6 | 1 | 8 | 1.1 | O=C(N1CCN(CC1)c1ccncc1)CCNS(=O)(=O)c1cccc2c1nsn2 | 19407080 | |||
| CHEMBL1628667 | 8737 | 49 | None | -158 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 432 | 6 | 1 | 8 | 1.1 | O=C(N1CCN(CC1)c1ccncc1)CCNS(=O)(=O)c1cccc2c1nsn2 | 19407080 | |||
| 324 | 3939 | 17 | None | -97 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 1331410 | |||
| 324 | 3939 | 17 | None | -97 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 1994002 | |||
| 324 | 3939 | 17 | None | -97 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 7925952 | |||
| 6436265 | 3939 | 17 | None | -97 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 1331410 | |||
| 6436265 | 3939 | 17 | None | -97 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 1994002 | |||
| 6436265 | 3939 | 17 | None | -97 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 7925952 | |||
| CHEMBL277642 | 3939 | 17 | None | -97 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 1331410 | |||
| CHEMBL277642 | 3939 | 17 | None | -97 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 1994002 | |||
| CHEMBL277642 | 3939 | 17 | None | -97 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 7925952 | |||
| 187 | 524 | 25 | None | -12 | 8 | Human | 6.1 | pKi | = | 6.1 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 12235229 | |||
| 294 | 524 | 25 | None | -12 | 8 | Human | 6.1 | pKi | = | 6.1 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 12235229 | |||
| 65 | 524 | 25 | None | -12 | 8 | Human | 6.1 | pKi | = | 6.1 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 12235229 | |||
| CHEMBL667 | 524 | 25 | None | -12 | 8 | Human | 6.1 | pKi | = | 6.1 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 12235229 | |||
| DB03128 | 524 | 25 | None | -12 | 8 | Human | 6.1 | pKi | = | 6.1 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 12235229 | |||
| 119357 | 625 | 0 | None | -70 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 1994002 | |||
| 3264 | 625 | 0 | None | -70 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 1994002 | |||
| CHEMBL279453 | 625 | 0 | None | -70 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 1994002 | |||
| 42519285 | 5242 | 26 | None | 19 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 379 | 7 | 0 | 6 | 3.7 | CN(C(=O)c1noc(c1)COc1cccc(c1)C(=O)C)[C@H](c1ccccn1)C | 24692176 | |||
| 8591 | 5242 | 26 | None | 19 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 379 | 7 | 0 | 6 | 3.7 | CN(C(=O)c1noc(c1)COc1cccc(c1)C(=O)C)[C@H](c1ccccn1)C | 24692176 | |||
| CHEMBL3185781 | 5242 | 26 | None | 19 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 379 | 7 | 0 | 6 | 3.7 | CN(C(=O)c1noc(c1)COc1cccc(c1)C(=O)C)[C@H](c1ccccn1)C | 24692176 | |||
| 2774 | 8415 | 68 | None | -3 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | 27085897 | |||
| 5593 | 8415 | 68 | None | -3 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | 27085897 | |||
| 688595 | 8415 | 68 | None | -3 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | 27085897 | |||
| 7319 | 8415 | 68 | None | -3 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | 27085897 | |||
| CHEMBL1200604 | 8415 | 68 | None | -3 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | 27085897 | |||
| CHEMBL1457550 | 8415 | 68 | None | -3 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | 27085897 | |||
| DB00809 | 8415 | 68 | None | -3 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | 27085897 | |||
| DB01199 | 8415 | 68 | None | -3 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | 27085897 | |||
| 154734599 | 5087 | 6 | None | -28 | 9 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 1994002 | |||
| 154734599 | 5087 | 6 | None | -28 | 9 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 2704370 | |||
| 154734599 | 5087 | 6 | None | -28 | 9 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 8759038 | |||
| 154734599 | 5087 | 6 | None | -28 | 9 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 9113359 | |||
| 327 | 5087 | 6 | None | -28 | 9 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 1994002 | |||
| 327 | 5087 | 6 | None | -28 | 9 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 2704370 | |||
| 327 | 5087 | 6 | None | -28 | 9 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 8759038 | |||
| 327 | 5087 | 6 | None | -28 | 9 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 9113359 | |||
| 4108 | 5087 | 6 | None | -28 | 9 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 1994002 | |||
| 4108 | 5087 | 6 | None | -28 | 9 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 2704370 | |||
| 4108 | 5087 | 6 | None | -28 | 9 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 8759038 | |||
| 4108 | 5087 | 6 | None | -28 | 9 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 9113359 | |||
| CHEMBL27673 | 5087 | 6 | None | -28 | 9 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 1994002 | |||
| CHEMBL27673 | 5087 | 6 | None | -28 | 9 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 2704370 | |||
| CHEMBL27673 | 5087 | 6 | None | -28 | 9 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 8759038 | |||
| CHEMBL27673 | 5087 | 6 | None | -28 | 9 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 9113359 | |||
| 129989 | 933 | 31 | None | -141 | 11 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 1994002 | |||
| 129989 | 933 | 31 | None | -141 | 11 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 9671109 | |||
| 8584 | 933 | 31 | None | -141 | 11 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 1994002 | |||
| 8584 | 933 | 31 | None | -141 | 11 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 9671109 | |||
| CHEMBL43383 | 933 | 31 | None | -141 | 11 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 1994002 | |||
| CHEMBL43383 | 933 | 31 | None | -141 | 11 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 9671109 | |||
| 2200 | 6369 | 35 | None | -6 | 11 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 2043926 | |||
| 2200 | 6369 | 35 | None | -6 | 11 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 7925952 | |||
| 2200 | 6369 | 35 | None | -6 | 11 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 9113359 | |||
| 328 | 6369 | 35 | None | -6 | 11 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 2043926 | |||
| 328 | 6369 | 35 | None | -6 | 11 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 7925952 | |||
| 328 | 6369 | 35 | None | -6 | 11 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 9113359 | |||
| 4848 | 6369 | 35 | None | -6 | 11 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 2043926 | |||
| 4848 | 6369 | 35 | None | -6 | 11 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 7925952 | |||
| 4848 | 6369 | 35 | None | -6 | 11 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 9113359 | |||
| CHEMBL9967 | 6369 | 35 | None | -6 | 11 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 2043926 | |||
| CHEMBL9967 | 6369 | 35 | None | -6 | 11 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 7925952 | |||
| CHEMBL9967 | 6369 | 35 | None | -6 | 11 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 9113359 | |||
| DB00670 | 6369 | 35 | None | -6 | 11 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 2043926 | |||
| DB00670 | 6369 | 35 | None | -6 | 11 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 7925952 | |||
| DB00670 | 6369 | 35 | None | -6 | 11 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 9113359 | |||
| 20980871 | 3021 | 0 | None | -22 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 295 | 3 | 0 | 2 | 4.7 | CN(CC/C=C/1\c2ccccc2SCc2c1cccc2)C | 8100134 | |||
| 5282426 | 3021 | 0 | None | -22 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 295 | 3 | 0 | 2 | 4.7 | CN(CC/C=C/1\c2ccccc2SCc2c1cccc2)C | 8100134 | |||
| 7549 | 3021 | 0 | None | -22 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 295 | 3 | 0 | 2 | 4.7 | CN(CC/C=C/1\c2ccccc2SCc2c1cccc2)C | 8100134 | |||
| CHEMBL108947 | 3021 | 0 | None | -22 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 295 | 3 | 0 | 2 | 4.7 | CN(CC/C=C/1\c2ccccc2SCc2c1cccc2)C | 8100134 | |||
| CHEMBL1492500 | 3021 | 0 | None | -22 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 295 | 3 | 0 | 2 | 4.7 | CN(CC/C=C/1\c2ccccc2SCc2c1cccc2)C | 8100134 | |||
| DB09167 | 3021 | 0 | None | -22 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 295 | 3 | 0 | 2 | 4.7 | CN(CC/C=C/1\c2ccccc2SCc2c1cccc2)C | 8100134 | |||
| 3652 | 8876 | 57 | None | -8 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10323594 | |||
| 3652 | 8876 | 57 | None | -8 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 16002459 | |||
| 3652 | 8876 | 57 | None | -8 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 36782010 | |||
| 3652 | 8876 | 57 | None | -8 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 9884068 | |||
| 57 | 8876 | 57 | None | -8 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10323594 | |||
| 57 | 8876 | 57 | None | -8 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 16002459 | |||
| 57 | 8876 | 57 | None | -8 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 36782010 | |||
| 57 | 8876 | 57 | None | -8 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 9884068 | |||
| 60809 | 8876 | 57 | None | -8 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10323594 | |||
| 60809 | 8876 | 57 | None | -8 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 16002459 | |||
| 60809 | 8876 | 57 | None | -8 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 36782010 | |||
| 60809 | 8876 | 57 | None | -8 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 9884068 | |||
| CHEMBL21536 | 8876 | 57 | None | -8 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10323594 | |||
| CHEMBL21536 | 8876 | 57 | None | -8 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 16002459 | |||
| CHEMBL21536 | 8876 | 57 | None | -8 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 36782010 | |||
| CHEMBL21536 | 8876 | 57 | None | -8 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 9884068 | |||
| DB15357 | 8876 | 57 | None | -8 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10323594 | |||
| DB15357 | 8876 | 57 | None | -8 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 16002459 | |||
| DB15357 | 8876 | 57 | None | -8 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 36782010 | |||
| DB15357 | 8876 | 57 | None | -8 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 9884068 | |||
| 154059 | 7390 | 37 | None | -3 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 20590605 | |||
| 2457 | 7390 | 37 | None | -3 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 20590605 | |||
| 7483 | 7390 | 37 | None | -3 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 20590605 | |||
| CHEMBL1734 | 7390 | 37 | None | -3 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 20590605 | |||
| DB01591 | 7390 | 37 | None | -3 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 20590605 | |||
| 132947 | 8408 | 6 | None | -120 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | 7805774 | |||
| 361 | 8408 | 6 | None | -120 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | 7805774 | |||
| CHEMBL265256 | 8408 | 6 | None | -120 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | 7805774 | |||
| 180 | 829 | 44 | None | -6 | 32 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 8100134 | |||
| 200 | 829 | 44 | None | -6 | 32 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 8100134 | |||
| 2160 | 829 | 44 | None | -6 | 32 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 8100134 | |||
| CHEMBL629 | 829 | 44 | None | -6 | 32 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 8100134 | |||
| DB00321 | 829 | 44 | None | -6 | 32 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 8100134 | |||
| 2028 | 6066 | 59 | None | -5 | 10 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 20590605 | |||
| 2028 | 6066 | 59 | None | -5 | 10 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 22243489 | |||
| 359 | 6066 | 59 | None | -5 | 10 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 20590605 | |||
| 359 | 6066 | 59 | None | -5 | 10 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 22243489 | |||
| 4634 | 6066 | 59 | None | -5 | 10 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 20590605 | |||
| 4634 | 6066 | 59 | None | -5 | 10 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 22243489 | |||
| CHEMBL1231 | 6066 | 59 | None | -5 | 10 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 20590605 | |||
| CHEMBL1231 | 6066 | 59 | None | -5 | 10 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 22243489 | |||
| DB01062 | 6066 | 59 | None | -5 | 10 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 20590605 | |||
| DB01062 | 6066 | 59 | None | -5 | 10 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 22243489 | |||
| 321 | 2732 | 0 | None | -6 | 8 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 11303071 | |||
| 321 | 2732 | 0 | None | -6 | 8 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 20590605 | |||
| 321 | 2732 | 0 | None | -6 | 8 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 9671109 | |||
| 444031 | 2732 | 0 | None | -6 | 8 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 11303071 | |||
| 444031 | 2732 | 0 | None | -6 | 8 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 20590605 | |||
| 444031 | 2732 | 0 | None | -6 | 8 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 9671109 | |||
| 784 | 2732 | 0 | None | -6 | 8 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 11303071 | |||
| 784 | 2732 | 0 | None | -6 | 8 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 20590605 | |||
| 784 | 2732 | 0 | None | -6 | 8 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 9671109 | |||
| CHEMBL1346 | 2732 | 0 | None | -6 | 8 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 11303071 | |||
| CHEMBL1346 | 2732 | 0 | None | -6 | 8 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 20590605 | |||
| CHEMBL1346 | 2732 | 0 | None | -6 | 8 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 9671109 | |||
| DB00496 | 2732 | 0 | None | -6 | 8 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 11303071 | |||
| DB00496 | 2732 | 0 | None | -6 | 8 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 20590605 | |||
| DB00496 | 2732 | 0 | None | -6 | 8 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 9671109 | |||
| 129140 | 8544 | 0 | None | -1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 383 | 2 | 1 | 3 | 4.3 | CN1CCC(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1c(Cl)ccc2 | 2043926 | |||
| 129140 | 8544 | 0 | None | -1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 383 | 2 | 1 | 3 | 4.3 | CN1CCC(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1c(Cl)ccc2 | 9671109 | |||
| 8583 | 8544 | 0 | None | -1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 383 | 2 | 1 | 3 | 4.3 | CN1CCC(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1c(Cl)ccc2 | 2043926 | |||
| 8583 | 8544 | 0 | None | -1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 383 | 2 | 1 | 3 | 4.3 | CN1CCC(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1c(Cl)ccc2 | 9671109 | |||
| 2705 | 8363 | 46 | None | 1 | 11 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 20590605 | |||
| 2705 | 8363 | 46 | None | 1 | 11 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 9671109 | |||
| 360 | 8363 | 46 | None | 1 | 11 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 20590605 | |||
| 360 | 8363 | 46 | None | 1 | 11 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 9671109 | |||
| 443879 | 8363 | 46 | None | 1 | 11 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 20590605 | |||
| 443879 | 8363 | 46 | None | 1 | 11 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 9671109 | |||
| CHEMBL1382 | 8363 | 46 | None | 1 | 11 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 20590605 | |||
| CHEMBL1382 | 8363 | 46 | None | 1 | 11 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 9671109 | |||
| DB01036 | 8363 | 46 | None | 1 | 11 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 20590605 | |||
| DB01036 | 8363 | 46 | None | 1 | 11 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 9671109 | |||
| 3000322 | 7238 | 26 | None | -6 | 7 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 303 | 4 | 1 | 5 | 0.9 | OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C | 1346637 | |||
| 330 | 7238 | 26 | None | -6 | 7 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 303 | 4 | 1 | 5 | 0.9 | OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C | 1346637 | |||
| CHEMBL569713 | 7238 | 26 | None | -6 | 7 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 303 | 4 | 1 | 5 | 0.9 | OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C | 1346637 | |||
| DB00747 | 7238 | 26 | None | -6 | 7 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 303 | 4 | 1 | 5 | 0.9 | OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C | 1346637 | |||
| 1402 | 1082 | 53 | None | -1 | 16 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10374898 | |||
| 1402 | 1082 | 53 | None | -1 | 16 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 11303071 | |||
| 1402 | 1082 | 53 | None | -1 | 16 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 27085897 | |||
| 154417 | 1082 | 53 | None | -1 | 16 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10374898 | |||
| 154417 | 1082 | 53 | None | -1 | 16 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 11303071 | |||
| 154417 | 1082 | 53 | None | -1 | 16 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 27085897 | |||
| 174174 | 1082 | 53 | None | -1 | 16 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10374898 | |||
| 174174 | 1082 | 53 | None | -1 | 16 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 11303071 | |||
| 174174 | 1082 | 53 | None | -1 | 16 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 27085897 | |||
| 260 | 1082 | 53 | None | -1 | 16 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10374898 | |||
| 260 | 1082 | 53 | None | -1 | 16 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 11303071 | |||
| 260 | 1082 | 53 | None | -1 | 16 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 27085897 | |||
| 320 | 1082 | 53 | None | -1 | 16 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10374898 | |||
| 320 | 1082 | 53 | None | -1 | 16 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 11303071 | |||
| 320 | 1082 | 53 | None | -1 | 16 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 27085897 | |||
| CHEMBL1331216 | 1082 | 53 | None | -1 | 16 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10374898 | |||
| CHEMBL1331216 | 1082 | 53 | None | -1 | 16 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 11303071 | |||
| CHEMBL1331216 | 1082 | 53 | None | -1 | 16 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 27085897 | |||
| CHEMBL517712 | 1082 | 53 | None | -1 | 16 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10374898 | |||
| CHEMBL517712 | 1082 | 53 | None | -1 | 16 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 11303071 | |||
| CHEMBL517712 | 1082 | 53 | None | -1 | 16 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 27085897 | |||
| DB00424 | 1082 | 53 | None | -1 | 16 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10374898 | |||
| DB00424 | 1082 | 53 | None | -1 | 16 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 11303071 | |||
| DB00424 | 1082 | 53 | None | -1 | 16 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 27085897 | |||
| DB00572 | 1082 | 53 | None | -1 | 16 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10374898 | |||
| DB00572 | 1082 | 53 | None | -1 | 16 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 11303071 | |||
| DB00572 | 1082 | 53 | None | -1 | 16 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 27085897 | |||
| 325 | 4217 | 10 | None | -7 | 8 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 332 | 5 | 1 | 3 | 2.9 | OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C | 11303071 | |||
| 3746 | 4217 | 10 | None | -7 | 8 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 332 | 5 | 1 | 3 | 2.9 | OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C | 11303071 | |||
| 657308 | 4217 | 10 | None | -7 | 8 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 332 | 5 | 1 | 3 | 2.9 | OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C | 11303071 | |||
| CHEMBL1615433 | 4217 | 10 | None | -7 | 8 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 332 | 5 | 1 | 3 | 2.9 | OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C | 11303071 | |||
| DB00332 | 4217 | 10 | None | -7 | 8 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 332 | 5 | 1 | 3 | 2.9 | OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C | 11303071 | |||
| 1734 | 239 | 5 | None | 1 | 10 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 1994002 | |||
| 307 | 239 | 5 | None | 1 | 10 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 1994002 | |||
| CHEMBL168067 | 239 | 5 | None | 1 | 10 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 1994002 | |||
| 3494 | 3732 | 12 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 21036043 | |||
| 3494 | 3732 | 12 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 22854200 | |||
| 4302 | 3732 | 12 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 21036043 | |||
| 4302 | 3732 | 12 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 22854200 | |||
| 7459 | 3732 | 12 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 21036043 | |||
| 7459 | 3732 | 12 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 22854200 | |||
| 9933193 | 3732 | 12 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 21036043 | |||
| 9933193 | 3732 | 12 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 22854200 | |||
| CHEMBL1201335 | 3732 | 12 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 21036043 | |||
| CHEMBL1201335 | 3732 | 12 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 22854200 | |||
| DB00986 | 3732 | 12 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 21036043 | |||
| DB00986 | 3732 | 12 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 22854200 | |||
| 8586 | 619 | 0 | None | -2 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | 336 | 5 | 2 | 3 | 1.8 | CN(C(=O)C(c1ccccc1)(c1ccccc1)O)C[C@@H]1[C@H]2[C@@H]1CNC2 | 20590605 | |||
| 9862598 | 619 | 0 | None | -2 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | 336 | 5 | 2 | 3 | 1.8 | CN(C(=O)C(c1ccccc1)(c1ccccc1)O)C[C@@H]1[C@H]2[C@@H]1CNC2 | 20590605 | |||
| 11434515 | 536 | 9 | None | -1 | 5 | Human | 9.9 | pKi | = | 9.9 | Binding | Guide to Pharmacology | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 21036042 | |||
| 4484 | 536 | 9 | None | -1 | 5 | Human | 9.9 | pKi | = | 9.9 | Binding | Guide to Pharmacology | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 21036042 | |||
| 7449 | 536 | 9 | None | -1 | 5 | Human | 9.9 | pKi | = | 9.9 | Binding | Guide to Pharmacology | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 21036042 | |||
| CHEMBL1194325 | 536 | 9 | None | -1 | 5 | Human | 9.9 | pKi | = | 9.9 | Binding | Guide to Pharmacology | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 21036042 | |||
| DB08897 | 536 | 9 | None | -1 | 5 | Human | 9.9 | pKi | = | 9.9 | Binding | Guide to Pharmacology | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 21036042 | |||
| 11519070 | 8553 | 4 | None | -3 | 5 | Human | 9.9 | pKi | = | 9.9 | Binding | Guide to Pharmacology | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 23435542 | |||
| 4816 | 8553 | 4 | None | -3 | 5 | Human | 9.9 | pKi | = | 9.9 | Binding | Guide to Pharmacology | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 23435542 | |||
| 7354 | 8553 | 4 | None | -3 | 5 | Human | 9.9 | pKi | = | 9.9 | Binding | Guide to Pharmacology | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 23435542 | |||
| CHEMBL1187833 | 8553 | 4 | None | -3 | 5 | Human | 9.9 | pKi | = | 9.9 | Binding | Guide to Pharmacology | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 23435542 | |||
| DB09076 | 8553 | 4 | None | -3 | 5 | Human | 9.9 | pKi | = | 9.9 | Binding | Guide to Pharmacology | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 23435542 | |||
| 314 | 5490 | 0 | None | -1122018 | 5 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | None | None | None | None | 10799315 | |||||
| Q8QGR0 | 5490 | 0 | None | -1122018 | 5 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | None | None | None | None | 10799315 | |||||
| 313 | 5488 | 0 | None | -407 | 6 | Human | 6.0 | pKi | > | 6 | Binding | Guide to Pharmacology | None | None | None | None | 7925952 | |||||
| P81031 | 5488 | 0 | None | -407 | 6 | Human | 6.0 | pKi | > | 6 | Binding | Guide to Pharmacology | None | None | None | None | 7925952 | |||||
| 2865 | 8961 | 54 | None | -10 | 33 | Human | 8.2 | pKi | None | 8.2 | 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 | 8.2 | pKi | None | 8.2 | 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 | 8.2 | pKi | None | 8.2 | 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 | 8.2 | pKi | None | 8.2 | 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 | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
| 3220 | 509462 | 0 | None | -1 | 8 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 311 | 5 | 0 | 3 | 3.8 | COC1=CC=C(OC[C@H]2CN(C)CC[C@@H]2C2=CC=CC=C2)C=C1 | None | |||
| 11954293 | 212936 | 14 | None | -4 | 28 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
| 3036780 | 212936 | 14 | None | -4 | 28 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
| 4115 | 212936 | 14 | None | -4 | 28 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
| 9903970 | 212936 | 14 | None | -4 | 28 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
| CHEMBL3187365 | 212936 | 14 | None | -4 | 28 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
| CHEMBL504548 | 212936 | 14 | None | -4 | 28 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
| DB06216 | 212936 | 14 | None | -4 | 28 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
| 3535 | 176350 | 66 | None | 28 | 3 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 610 | 6 | 10 | 16 | -1.7 | C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O | None | |||
| 5280805 | 176350 | 66 | None | 28 | 3 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 610 | 6 | 10 | 16 | -1.7 | C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O | None | |||
| CHEMBL226335 | 176350 | 66 | None | 28 | 3 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 610 | 6 | 10 | 16 | -1.7 | C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O | None | |||
| DB01698 | 176350 | 66 | None | 28 | 3 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 610 | 6 | 10 | 16 | -1.7 | C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O | None | |||
| 11976 | 1897 | 43 | None | -1 | 14 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | None | |||
| 623 | 1897 | 43 | None | -1 | 14 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | None | |||
| 667466 | 1897 | 43 | None | -1 | 14 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | None | |||
| 667467 | 1897 | 43 | None | -1 | 14 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | None | |||
| CHEMBL908 | 1897 | 43 | None | -1 | 14 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | None | |||
| DB01239 | 1897 | 43 | None | -1 | 14 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | None | |||
| 1707 | 469523 | 59 | None | -1 | 7 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 322 | 2 | 0 | 3 | 4.6 | c1ccc2c(c1)Sc1ccccc1N2CC1CN2CCC1CC2 | None | |||
| 4066 | 469523 | 59 | None | -1 | 7 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 322 | 2 | 0 | 3 | 4.6 | c1ccc2c(c1)Sc1ccccc1N2CC1CN2CCC1CC2 | None | |||
| CHEMBL73451 | 469523 | 59 | None | -1 | 7 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 322 | 2 | 0 | 3 | 4.6 | c1ccc2c(c1)Sc1ccccc1N2CC1CN2CCC1CC2 | None | |||
| DB01071 | 469523 | 59 | None | -1 | 7 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 322 | 2 | 0 | 3 | 4.6 | c1ccc2c(c1)Sc1ccccc1N2CC1CN2CCC1CC2 | None | |||
| 290 | 5025 | 4 | None | -3 | 7 | Human | 4.9 | pKi | None | 4.9 | Binding | Guide to Pharmacology | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 7620715 | |||
| 4022 | 5025 | 4 | None | -3 | 7 | Human | 4.9 | pKi | None | 4.9 | Binding | Guide to Pharmacology | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 7620715 | |||
| 5926 | 5025 | 4 | None | -3 | 7 | Human | 4.9 | pKi | None | 4.9 | Binding | Guide to Pharmacology | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 7620715 | |||
| CHEMBL40554 | 5025 | 4 | None | -3 | 7 | Human | 4.9 | pKi | None | 4.9 | Binding | Guide to Pharmacology | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 7620715 | |||
| CHEMBL74300 | 5025 | 4 | None | -3 | 7 | Human | 4.9 | pKi | None | 4.9 | Binding | Guide to Pharmacology | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 7620715 | |||
| 22991950 | 4744 | 0 | None | -6 | 6 | Human | 5.2 | pKi | None | 5.2 | Binding | Guide to Pharmacology | 448 | 7 | 2 | 2 | 5.9 | OC(C[N+](C)(C)C)CCCC(C1CCC2C1(C)CCC1C2CCC2C1(C)CCC(C2)O)C | 12235229 | |||
| 326 | 4744 | 0 | None | -6 | 6 | Human | 5.2 | pKi | None | 5.2 | Binding | Guide to Pharmacology | 448 | 7 | 2 | 2 | 5.9 | OC(C[N+](C)(C)C)CCCC(C1CCC2C1(C)CCC1C2CCC2C1(C)CCC(C2)O)C | 12235229 | |||
| 301 | 5148 | 16 | None | -3 | 5 | Human | 5.4 | pKi | None | 5.4 | Binding | Guide to Pharmacology | 154 | 2 | 0 | 3 | 0.9 | CO/N=C/C1=CCCN(C1)C | 10323594 | |||
| 9571002 | 5148 | 16 | None | -3 | 5 | Human | 5.4 | pKi | None | 5.4 | Binding | Guide to Pharmacology | 154 | 2 | 0 | 3 | 0.9 | CO/N=C/C1=CCCN(C1)C | 10323594 | |||
| CHEMBL151938 | 5148 | 16 | None | -3 | 5 | Human | 5.4 | pKi | None | 5.4 | Binding | Guide to Pharmacology | 154 | 2 | 0 | 3 | 0.9 | CO/N=C/C1=CCCN(C1)C | 10323594 | |||
| 107867 | 6054 | 42 | None | -46 | 10 | Rat | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 1325587 | |||
| 309 | 6054 | 42 | None | -46 | 10 | Rat | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 1325587 | |||
| CHEMBL17045 | 6054 | 42 | None | -46 | 10 | Rat | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 1325587 | |||
| 308 | 4213 | 15 | None | -50 | 6 | Human | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | 349 | 6 | 1 | 2 | 4.2 | Fc1ccc(cc1)[Si](C1CCCCC1)(CCCN1CCCCC1)O | 8759038 | |||
| 3603 | 4213 | 15 | None | -50 | 6 | Human | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | 349 | 6 | 1 | 2 | 4.2 | Fc1ccc(cc1)[Si](C1CCCCC1)(CCCN1CCCCC1)O | 8759038 | |||
| CHEMBL1256682 | 4213 | 15 | None | -50 | 6 | Human | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | 349 | 6 | 1 | 2 | 4.2 | Fc1ccc(cc1)[Si](C1CCCCC1)(CCCN1CCCCC1)O | 8759038 | |||
| 310 | 3933 | 0 | None | -7 | 9 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | 2704370 | |||
| 310 | 3933 | 0 | None | -7 | 9 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | 8759038 | |||
| 3602 | 3933 | 0 | None | -7 | 9 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | 2704370 | |||
| 3602 | 3933 | 0 | None | -7 | 9 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | 8759038 | |||
| 3603 | 3933 | 0 | None | -7 | 9 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | 2704370 | |||
| 3603 | 3933 | 0 | None | -7 | 9 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | 8759038 | |||
| 124226 | 3931 | 0 | None | -7 | 5 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 315 | 6 | 1 | 2 | 4.7 | OC(c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | 2704370 | |||
| 322 | 3931 | 0 | None | -7 | 5 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 315 | 6 | 1 | 2 | 4.7 | OC(c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | 2704370 | |||
| 2200 | 6369 | 35 | None | -12 | 11 | Rat | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 1325587 | |||
| 328 | 6369 | 35 | None | -12 | 11 | Rat | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 1325587 | |||
| 4848 | 6369 | 35 | None | -12 | 11 | Rat | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 1325587 | |||
| CHEMBL9967 | 6369 | 35 | None | -12 | 11 | Rat | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 1325587 | |||
| DB00670 | 6369 | 35 | None | -12 | 11 | Rat | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 1325587 | |||
| 306 | 7028 | 17 | None | 2 | 5 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10323594 | |||
| 3536 | 7028 | 17 | None | 2 | 5 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10323594 | |||
| 9577995 | 7028 | 17 | None | 2 | 5 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10323594 | |||
| CHEMBL134641 | 7028 | 17 | None | 2 | 5 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10323594 | |||
| 310 | 3933 | 0 | None | -2 | 9 | Rat | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | 1325587 | |||
| 3602 | 3933 | 0 | None | -2 | 9 | Rat | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | 1325587 | |||
| 3603 | 3933 | 0 | None | -2 | 9 | Rat | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | 1325587 | |||
| 10426487 | 5794 | 8 | None | 2 | 5 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 325 | 3 | 0 | 5 | 2.8 | C1CN2CCC1C(C2)c1nsnc1OCC#Cc1ccccc1 | 11504829 | |||
| 291 | 5794 | 8 | None | 2 | 5 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 325 | 3 | 0 | 5 | 2.8 | C1CN2CCC1C(C2)c1nsnc1OCC#Cc1ccccc1 | 11504829 | |||
| CHEMBL99521 | 5794 | 8 | None | 2 | 5 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 325 | 3 | 0 | 5 | 2.8 | C1CN2CCC1C(C2)c1nsnc1OCC#Cc1ccccc1 | 11504829 | |||
| 293 | 5798 | 0 | None | -2 | 5 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 572 | 6 | 0 | 10 | 3.9 | C1CN2CCC1C(C2)c1nsnc1OCC#Cc1cccc(c1)C#CCOc1nsnc1C1CN2CCC1CC2 | 11504829 | |||
| 9985526 | 5798 | 0 | None | -2 | 5 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 572 | 6 | 0 | 10 | 3.9 | C1CN2CCC1C(C2)c1nsnc1OCC#Cc1cccc(c1)C#CCOc1nsnc1C1CN2CCC1CC2 | 11504829 | |||
| 11757797 | 5796 | 0 | None | -63 | 5 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 572 | 6 | 0 | 10 | 3.9 | C1CN2CCC1C(C2)c1nsnc1OCC#Cc1ccc(cc1)C#CCOc1nsnc1C1CN2CCC1CC2 | 11504829 | |||
| 292 | 5796 | 0 | None | -63 | 5 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 572 | 6 | 0 | 10 | 3.9 | C1CN2CCC1C(C2)c1nsnc1OCC#Cc1ccc(cc1)C#CCOc1nsnc1C1CN2CCC1CC2 | 11504829 | |||
| 1371 | 3935 | 8 | None | -1 | 5 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 317 | 4 | 1 | 2 | 2.8 | C[N+]1(C)CCN(CC1)CC(c1ccccc1)(C1CCCCC1)O | 2704370 | |||
| 24199 | 3935 | 8 | None | -1 | 5 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 317 | 4 | 1 | 2 | 2.8 | C[N+]1(C)CCN(CC1)CC(c1ccccc1)(C1CCCCC1)O | 2704370 | |||
| 323 | 3935 | 8 | None | -1 | 5 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 317 | 4 | 1 | 2 | 2.8 | C[N+]1(C)CCN(CC1)CC(c1ccccc1)(C1CCCCC1)O | 2704370 | |||
| CHEMBL1201325 | 3935 | 8 | None | -1 | 5 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 317 | 4 | 1 | 2 | 2.8 | C[N+]1(C)CCN(CC1)CC(c1ccccc1)(C1CCCCC1)O | 2704370 | |||
| DB06787 | 3935 | 8 | None | -1 | 5 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 317 | 4 | 1 | 2 | 2.8 | C[N+]1(C)CCN(CC1)CC(c1ccccc1)(C1CCCCC1)O | 2704370 | |||
| 130169 | 7328 | 0 | None | -1 | 5 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 333 | 4 | 1 | 2 | 2.1 | C[N+]1(C)CCN(CC1)C[Si](c1ccccc1)(C1CCCCC1)O | 2704370 | |||
| 331 | 7328 | 0 | None | -1 | 5 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 333 | 4 | 1 | 2 | 2.1 | C[N+]1(C)CCN(CC1)C[Si](c1ccccc1)(C1CCCCC1)O | 2704370 | |||
| 1734 | 239 | 5 | None | -2 | 10 | Rat | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 1325587 | |||
| 307 | 239 | 5 | None | -2 | 10 | Rat | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 1325587 | |||
| CHEMBL168067 | 239 | 5 | None | -2 | 10 | Rat | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 1325587 | |||
| 1402 | 1082 | 53 | None | -1 | 16 | Rat | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 1325587 | |||
| 154417 | 1082 | 53 | None | -1 | 16 | Rat | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 1325587 | |||
| 174174 | 1082 | 53 | None | -1 | 16 | Rat | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 1325587 | |||
| 260 | 1082 | 53 | None | -1 | 16 | Rat | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 1325587 | |||
| 320 | 1082 | 53 | None | -1 | 16 | Rat | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 1325587 | |||
| CHEMBL1331216 | 1082 | 53 | None | -1 | 16 | Rat | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 1325587 | |||
| CHEMBL517712 | 1082 | 53 | None | -1 | 16 | Rat | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 1325587 | |||
| DB00424 | 1082 | 53 | None | -1 | 16 | Rat | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 1325587 | |||
| DB00572 | 1082 | 53 | None | -1 | 16 | Rat | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 1325587 | |||