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 |
| 177659801 | 392740 | 0 | None | None | None | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 400 | 6 | 2 | 8 | 3.4 | CSc1nnc(-c2ccc(CNC(=O)Nc3ccc([N+](=O)[O-])cc3)nc2C)o1 | 10.1016/j.ejmech.2024.116594 | ||
| CHEMBL5612607 | 392740 | 0 | None | None | None | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 400 | 6 | 2 | 8 | 3.4 | CSc1nnc(-c2ccc(CNC(=O)Nc3ccc([N+](=O)[O-])cc3)nc2C)o1 | 10.1016/j.ejmech.2024.116594 | ||
| 177659937 | 392743 | 0 | None | None | None | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 401 | 6 | 1 | 9 | 3.8 | CSc1nnc(-c2ccc(COC(=O)Nc3ccc([N+](=O)[O-])cc3)nc2C)o1 | 10.1016/j.ejmech.2024.116594 | ||
| CHEMBL5612623 | 392743 | 0 | None | None | None | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 401 | 6 | 1 | 9 | 3.8 | CSc1nnc(-c2ccc(COC(=O)Nc3ccc([N+](=O)[O-])cc3)nc2C)o1 | 10.1016/j.ejmech.2024.116594 | ||
| 177640900 | 465286 | 0 | None | None | None | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 222 | 2 | 1 | 6 | 1.7 | CSc1nnc(-c2ccc(N)nc2C)o1 | 10.1016/j.ejmech.2024.116594 | ||
| CHEMBL6070650 | 465286 | 0 | None | None | None | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 222 | 2 | 1 | 6 | 1.7 | CSc1nnc(-c2ccc(N)nc2C)o1 | 10.1016/j.ejmech.2024.116594 | ||
| 138491866 | 392835 | 5 | None | None | None | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 362 | 4 | 0 | 6 | 2.7 | Cc1nc(CN(C)c2cccc3cccnc23)cc(N2CCN(C)CC2)n1 | 10.1016/j.ejmech.2024.116594 | ||
| CHEMBL5613902 | 392835 | 5 | None | None | None | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 362 | 4 | 0 | 6 | 2.7 | Cc1nc(CN(C)c2cccc3cccnc23)cc(N2CCN(C)CC2)n1 | 10.1016/j.ejmech.2024.116594 | ||
| 11565518 | 180712 | 59 | None | None | None | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 290 | 6 | 2 | 4 | 3.7 | c1ccc(NCc2ccc(CNc3ccccn3)cc2)nc1 | 10.1016/j.ejmech.2024.116594 | ||
| CHEMBL237830 | 180712 | 59 | None | None | None | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 290 | 6 | 2 | 4 | 3.7 | c1ccc(NCc2ccc(CNc3ccccn3)cc2)nc1 | 10.1016/j.ejmech.2024.116594 | ||
| CHEMBL2372985 | 485921 | 0 | None | None | None | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 2051 | 46 | 31 | 27 | -7.9 | NCCCC[C@H]1NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=O)NC1=O | 10.1016/s0960-894x(01)00323-7 | ||
| CHEMBL2372997 | 485929 | 0 | None | None | None | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 2052 | 46 | 31 | 27 | -7.3 | NCCCC[C@H]1NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=O)NC1=O | 10.1016/s0960-894x(01)00323-7 | ||
| CHEMBL2372993 | 485925 | 0 | None | None | None | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 2022 | 46 | 30 | 27 | -7.2 | NCCCC[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C1=O | 10.1016/s0960-894x(01)00323-7 | ||
| 130431457 | 312983 | 0 | None | None | None | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 418 | 7 | 2 | 5 | 2.2 | O=C(NCc1ccc(CNS(=O)(=O)c2ccc(F)cc2F)cc1)c1cncnc1 | 10.1016/j.ejmech.2024.116594 | ||
| CHEMBL4074140 | 312983 | 0 | None | None | None | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 418 | 7 | 2 | 5 | 2.2 | O=C(NCc1ccc(CNS(=O)(=O)c2ccc(F)cc2F)cc1)c1cncnc1 | 10.1016/j.ejmech.2024.116594 | ||
| 177660197 | 392832 | 0 | None | None | None | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 251 | 5 | 1 | 6 | 1.8 | CSc1nnc(-c2cccnc2CCCO)o1 | 10.1016/j.ejmech.2024.116594 | ||
| CHEMBL5613857 | 392832 | 0 | None | None | None | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 251 | 5 | 1 | 6 | 1.8 | CSc1nnc(-c2cccnc2CCCO)o1 | 10.1016/j.ejmech.2024.116594 | ||
| 177660449 | 392872 | 0 | None | None | None | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 340 | 5 | 1 | 6 | 3.1 | CSc1nnc(-c2ccc(CNC(=O)c3ccccc3)nc2C)o1 | 10.1016/j.ejmech.2024.116594 | ||
| CHEMBL5614258 | 392872 | 0 | None | None | None | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 340 | 5 | 1 | 6 | 3.1 | CSc1nnc(-c2ccc(CNC(=O)c3ccccc3)nc2C)o1 | 10.1016/j.ejmech.2024.116594 | ||
| CHEMBL2373004 | 485936 | 0 | None | None | None | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 2051 | 46 | 31 | 27 | -7.9 | NCCCC[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCNC(N)=O)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=O)NC1=O | 10.1016/s0960-894x(01)00323-7 | ||
| 138491817 | 392803 | 7 | None | None | None | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 382 | 4 | 0 | 6 | 2.6 | Cc1nc(CN(C)C2=C(F)CCc3cccnc32)cc(N2CCN(C)CC2)n1 | 10.1016/j.ejmech.2024.116594 | ||
| CHEMBL5613412 | 392803 | 7 | None | None | None | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 382 | 4 | 0 | 6 | 2.6 | Cc1nc(CN(C)C2=C(F)CCc3cccnc32)cc(N2CCN(C)CC2)n1 | 10.1016/j.ejmech.2024.116594 | ||
| 130431461 | 313055 | 0 | None | None | None | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 438 | 7 | 2 | 6 | 2.5 | Cc1nnsc1C(=O)NCc1ccc(CNS(=O)(=O)c2ccc(F)c(F)c2)cc1 | 10.1016/j.ejmech.2024.116594 | ||
| CHEMBL4075191 | 313055 | 0 | None | None | None | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 438 | 7 | 2 | 6 | 2.5 | Cc1nnsc1C(=O)NCc1ccc(CNS(=O)(=O)c2ccc(F)c(F)c2)cc1 | 10.1016/j.ejmech.2024.116594 | ||
| CHEMBL2370125 | 485524 | 0 | None | None | None | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 1951 | 43 | 28 | 26 | -6.2 | C[C@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1016/s0960-894x(00)00535-7 | ||
| 44818869 | 392081 | 0 | None | None | None | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 712 | 12 | 11 | 7 | 0.6 | N=C(N)NCCC[C@H]1/C=C/[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1 | 10.1016/j.bmc.2024.117811 | ||
| CHEMBL5590248 | 392081 | 0 | None | None | None | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 712 | 12 | 11 | 7 | 0.6 | N=C(N)NCCC[C@H]1/C=C/[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1 | 10.1016/j.bmc.2024.117811 | ||
| CHEMBL2179708 | 485287 | 0 | None | None | None | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 735 | 10 | 10 | 8 | 0.5 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm300926y | ||
| CHEMBL2221068 | 485287 | 0 | None | None | None | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 735 | 10 | 10 | 8 | 0.5 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm300926y | ||
| CHEMBL2370130 | 485527 | 0 | None | None | None | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 2037 | 47 | 30 | 27 | -6.7 | NCCCC[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCNC(N)=O)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC1=O | 10.1016/s0960-894x(00)00535-7 | ||
| CHEMBL2370132 | 485528 | 0 | None | None | None | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 2037 | 47 | 30 | 27 | -6.7 | NCCCC[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC1=O | 10.1016/s0960-894x(00)00535-7 | ||
| CHEMBL2179708 | 485287 | 0 | None | None | None | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 735 | 10 | 10 | 8 | 0.5 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm300926y | ||
| CHEMBL2221068 | 485287 | 0 | None | None | None | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 735 | 10 | 10 | 8 | 0.5 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm300926y | ||
| CHEMBL2370133 | 485529 | 0 | None | None | None | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 1950 | 43 | 28 | 26 | -6.6 | C[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC1=O | 10.1016/s0960-894x(00)00535-7 | ||
| CHEMBL2370136 | 485532 | 0 | None | None | None | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 2065 | 47 | 31 | 27 | -7.8 | NCCCC[C@H]1NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C1=O | 10.1016/s0960-894x(00)00535-7 | ||
| CHEMBL2370140 | 485535 | 0 | None | None | None | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 1979 | 43 | 29 | 26 | -7.2 | C[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C1=O | 10.1016/s0960-894x(00)00535-7 | ||
| CHEMBL2370105 | 485518 | 0 | None | None | None | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 2010 | 47 | 31 | 27 | -7.6 | C[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1016/s0960-894x(00)00535-7 | ||
| CHEMBL2370139 | 485534 | 0 | None | None | None | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 1944 | 45 | 29 | 26 | -8.1 | C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC1=O | 10.1016/s0960-894x(00)00535-7 | ||
| 49776808 | 391905 | 0 | None | None | None | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 730 | 12 | 11 | 7 | 0.9 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)/C=C/1F | 10.1016/j.bmc.2024.117811 | ||
| CHEMBL5579714 | 391905 | 0 | None | None | None | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 730 | 12 | 11 | 7 | 0.9 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)/C=C/1F | 10.1016/j.bmc.2024.117811 | ||
| CHEMBL2370134 | 485530 | 0 | None | None | None | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 1951 | 43 | 28 | 26 | -6.2 | C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC1=O | 10.1016/s0960-894x(00)00535-7 | ||
| CHEMBL192685 | 484992 | 0 | None | None | None | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 644 | 8 | 9 | 7 | -0.3 | C[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/jm300926y | ||
| CHEMBL2180080 | 484992 | 0 | None | None | None | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 644 | 8 | 9 | 7 | -0.3 | C[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/jm300926y | ||
| CHEMBL191687 | 484982 | 0 | None | None | None | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 644 | 8 | 9 | 7 | -0.3 | C[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/jm300926y | ||
| CHEMBL2180081 | 484982 | 0 | None | None | None | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 644 | 8 | 9 | 7 | -0.3 | C[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/jm300926y | ||
| CHEMBL192685 | 484992 | 0 | None | None | None | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 644 | 8 | 9 | 7 | -0.3 | C[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/jm300926y | ||
| CHEMBL2180080 | 484992 | 0 | None | None | None | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 644 | 8 | 9 | 7 | -0.3 | C[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/jm300926y | ||
| 72736900 | 317740 | 0 | None | None | None | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 705 | 13 | 12 | 8 | -1.4 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](C/C=C/c2ccccc2)NC1=O | 10.1016/j.ejmech.2017.08.027 | ||
| CHEMBL4163529 | 317740 | 0 | None | None | None | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 705 | 13 | 12 | 8 | -1.4 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](C/C=C/c2ccccc2)NC1=O | 10.1016/j.ejmech.2017.08.027 | ||
| CHEMBL191687 | 484982 | 0 | None | None | None | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 644 | 8 | 9 | 7 | -0.3 | C[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/jm300926y | ||
| CHEMBL2180081 | 484982 | 0 | None | None | None | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 644 | 8 | 9 | 7 | -0.3 | C[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/jm300926y | ||
| 130431454 | 318078 | 0 | None | None | None | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 398 | 7 | 2 | 3 | 3.2 | O=C(NCc1ccc(CNS(=O)(=O)c2ccccc2)cc1)c1ccc(F)cc1 | 10.1016/j.ejmech.2024.116594 | ||
| CHEMBL4168957 | 318078 | 0 | None | None | None | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 398 | 7 | 2 | 3 | 3.2 | O=C(NCc1ccc(CNS(=O)(=O)c2ccccc2)cc1)c1ccc(F)cc1 | 10.1016/j.ejmech.2024.116594 | ||
| CHEMBL2372989 | 485923 | 0 | None | None | None | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 2051 | 46 | 31 | 27 | -7.9 | NCCCC[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=O)NC1=O | 10.1016/s0960-894x(01)00323-7 | ||
| CHEMBL2373002 | 485934 | 0 | None | None | None | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 2023 | 46 | 30 | 27 | -6.6 | NCCCC[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C1=O | 10.1016/s0960-894x(01)00323-7 | ||
| CHEMBL2370108 | 485520 | 0 | None | None | None | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 2037 | 47 | 30 | 27 | -6.7 | NCCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC1=O | 10.1016/s0960-894x(00)00535-7 | ||
| 177661176 | 392822 | 0 | None | None | None | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 392 | 3 | 0 | 6 | 3.1 | Cc1nc([C@H]2CCCN2[C@@H]2CCCc3cccnc32)cc(N2CCN(C)CC2)n1 | 10.1016/j.ejmech.2024.116594 | ||
| CHEMBL5613701 | 392822 | 0 | None | None | None | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 392 | 3 | 0 | 6 | 3.1 | Cc1nc([C@H]2CCCN2[C@@H]2CCCc3cccnc32)cc(N2CCN(C)CC2)n1 | 10.1016/j.ejmech.2024.116594 | ||
| CHEMBL2370126 | 485525 | 0 | None | None | None | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 1910 | 45 | 30 | 27 | -9.5 | C[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1016/s0960-894x(00)00535-7 | ||
| 72737246 | 317961 | 0 | None | None | None | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 725 | 10 | 10 | 7 | -0.6 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]2Cc3ccccc3CN2C(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1016/j.ejmech.2017.08.027 | ||
| CHEMBL4167050 | 317961 | 0 | None | None | None | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 725 | 10 | 10 | 7 | -0.6 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]2Cc3ccccc3CN2C(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1016/j.ejmech.2017.08.027 | ||
| CHEMBL2180084 | 485285 | 0 | None | None | None | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 741 | 8 | 11 | 8 | -1.0 | N=C(N)NCCC[C@@H]1NC(=O)C2(CCN(C(=N)N)CC2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm300926y | ||
| CHEMBL2220522 | 485285 | 0 | None | None | None | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 741 | 8 | 11 | 8 | -1.0 | N=C(N)NCCC[C@@H]1NC(=O)C2(CCN(C(=N)N)CC2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm300926y | ||
| CHEMBL2180084 | 485285 | 0 | None | None | None | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 741 | 8 | 11 | 8 | -1.0 | N=C(N)NCCC[C@@H]1NC(=O)C2(CCN(C(=N)N)CC2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm300926y | ||
| CHEMBL2220522 | 485285 | 0 | None | None | None | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 741 | 8 | 11 | 8 | -1.0 | N=C(N)NCCC[C@@H]1NC(=O)C2(CCN(C(=N)N)CC2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm300926y | ||
| CHEMBL2179712 | 485286 | 0 | None | None | None | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 730 | 12 | 11 | 8 | -0.9 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm300926y | ||
| CHEMBL2221016 | 485286 | 0 | None | None | None | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 730 | 12 | 11 | 8 | -0.9 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm300926y | ||
| CHEMBL2179712 | 485286 | 0 | None | None | None | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 730 | 12 | 11 | 8 | -0.9 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm300926y | ||
| CHEMBL2221016 | 485286 | 0 | None | None | None | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 730 | 12 | 11 | 8 | -0.9 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm300926y | ||
| 72736898 | 317528 | 0 | None | None | None | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 699 | 13 | 12 | 8 | -1.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](CCC2CCCCC2)NC1=O | 10.1016/j.ejmech.2017.08.027 | ||
| CHEMBL4159875 | 317528 | 0 | None | None | None | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 699 | 13 | 12 | 8 | -1.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](CCC2CCCCC2)NC1=O | 10.1016/j.ejmech.2017.08.027 | ||
| CHEMBL2372983 | 485920 | 0 | None | -18 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 2022 | 46 | 30 | 27 | -7.0 | NCCCC[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C1=O | 10.1016/s0960-894x(01)00323-7 | ||
| 16130395 | 8124 | 14 | None | None | None | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 2036 | 47 | 35 | 27 | -6.1 | NCCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@H](NC1=O)CCCCN)CCC2)Cc1ccc(cc1)O)CCCNC(=N)N)CCCNC(=O)N)C(=O)N[C@H](C(=O)O)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)N)CCCNC(=N)N)Cc1ccc2c(c1)cccc2 | 10.1016/s0960-894x(00)00535-7 | ||
| 853 | 8124 | 14 | None | None | None | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 2036 | 47 | 35 | 27 | -6.1 | NCCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@H](NC1=O)CCCCN)CCC2)Cc1ccc(cc1)O)CCCNC(=N)N)CCCNC(=O)N)C(=O)N[C@H](C(=O)O)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)N)CCCNC(=N)N)Cc1ccc2c(c1)cccc2 | 10.1016/s0960-894x(00)00535-7 | ||
| CHEMBL2370138 | 8124 | 14 | None | None | None | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 2036 | 47 | 35 | 27 | -6.1 | NCCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@H](NC1=O)CCCCN)CCC2)Cc1ccc(cc1)O)CCCNC(=N)N)CCCNC(=O)N)C(=O)N[C@H](C(=O)O)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)N)CCCNC(=N)N)Cc1ccc2c(c1)cccc2 | 10.1016/s0960-894x(00)00535-7 | ||
| 145963140 | 317691 | 0 | None | None | None | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 431 | 4 | 1 | 5 | 3.4 | CN(C[C@H]1Cc2c(cccc2N2CCN3CCC[C@@H]3C2)CN1)[C@H]1CCCc2cccnc21 | 10.1016/j.ejmech.2024.116594 | ||
| CHEMBL4162609 | 317691 | 0 | None | None | None | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 431 | 4 | 1 | 5 | 3.4 | CN(C[C@H]1Cc2c(cccc2N2CCN3CCC[C@@H]3C2)CN1)[C@H]1CCCc2cccnc21 | 10.1016/j.ejmech.2024.116594 | ||
| 2795811 | 62823 | 19 | None | None | None | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 275 | 2 | 0 | 5 | 3.2 | CSc1nnc(-c2ccc(C(F)(F)F)nc2C)o1 | 10.1016/j.ejmech.2024.116594 | ||
| CHEMBL1381819 | 62823 | 19 | None | None | None | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 275 | 2 | 0 | 5 | 3.2 | CSc1nnc(-c2ccc(C(F)(F)F)nc2C)o1 | 10.1016/j.ejmech.2024.116594 | ||
| 72736896 | 327845 | 0 | None | None | None | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 693 | 13 | 12 | 8 | -1.8 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](CCc2ccccc2)NC1=O | 10.1016/j.ejmech.2017.08.027 | ||
| CHEMBL4172495 | 327845 | 0 | None | None | None | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 693 | 13 | 12 | 8 | -1.8 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](CCc2ccccc2)NC1=O | 10.1016/j.ejmech.2017.08.027 | ||
| 177658282 | 392718 | 0 | None | None | None | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 390 | 4 | 2 | 4 | 3.7 | N[C@H]1CC[C@H](N(C[C@H]2Cc3ncccc3CN2)[C@H]2CCCc3ccccc32)CC1 | 10.1016/j.ejmech.2024.116594 | ||
| CHEMBL5612347 | 392718 | 0 | None | None | None | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 390 | 4 | 2 | 4 | 3.7 | N[C@H]1CC[C@H](N(C[C@H]2Cc3ncccc3CN2)[C@H]2CCCc3ccccc32)CC1 | 10.1016/j.ejmech.2024.116594 | ||
| CHEMBL2180079 | 485280 | 0 | None | None | None | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 658 | 8 | 9 | 7 | 0.1 | CC1(C)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/jm300926y | ||
| CHEMBL2220430 | 485280 | 0 | None | None | None | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 658 | 8 | 9 | 7 | 0.1 | CC1(C)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/jm300926y | ||
| CHEMBL2373005 | 485937 | 0 | None | None | None | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 2052 | 46 | 31 | 27 | -7.3 | NCCCC[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCNC(N)=O)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=O)NC1=O | 10.1016/s0960-894x(01)00323-7 | ||
| CHEMBL2370127 | 485526 | 0 | None | None | None | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 1944 | 45 | 29 | 26 | -8.1 | C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC1=O | 10.1016/s0960-894x(00)00535-7 | ||
| CHEMBL2180079 | 485280 | 0 | None | None | None | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 658 | 8 | 9 | 7 | 0.1 | CC1(C)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/jm300926y | ||
| CHEMBL2220430 | 485280 | 0 | None | None | None | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 658 | 8 | 9 | 7 | 0.1 | CC1(C)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/jm300926y | ||
| CHEMBL2180078 | 485279 | 0 | None | None | None | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 630 | 8 | 9 | 7 | -0.7 | N=C(N)NCCC[C@@H]1NC(=O)CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm300926y | ||
| CHEMBL2220429 | 485279 | 0 | None | None | None | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 630 | 8 | 9 | 7 | -0.7 | N=C(N)NCCC[C@@H]1NC(=O)CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm300926y | ||
| CHEMBL2180078 | 485279 | 0 | None | None | None | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 630 | 8 | 9 | 7 | -0.7 | N=C(N)NCCC[C@@H]1NC(=O)CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm300926y | ||
| CHEMBL2220429 | 485279 | 0 | None | None | None | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 630 | 8 | 9 | 7 | -0.7 | N=C(N)NCCC[C@@H]1NC(=O)CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm300926y | ||
| CHEMBL2373000 | 485932 | 0 | None | None | None | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 2024 | 46 | 30 | 27 | -6.2 | NCCCC[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCNC(N)=O)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C1=O | 10.1016/s0960-894x(01)00323-7 | ||
| CHEMBL2372994 | 485926 | 0 | None | None | None | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 2051 | 46 | 31 | 27 | -7.7 | NCCCC[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=O)NC1=O | 10.1016/s0960-894x(01)00323-7 | ||
| CHEMBL2370135 | 485531 | 0 | None | None | None | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 2065 | 47 | 31 | 27 | -7.8 | NCCCC[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCNC(N)=O)NC1=O | 10.1016/s0960-894x(00)00535-7 | ||
| CHEMBL2373001 | 485933 | 0 | None | None | None | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 2050 | 46 | 31 | 27 | -8.3 | NCCCC[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=O)NC1=O | 10.1016/s0960-894x(01)00323-7 | ||
| CHEMBL2373003 | 485935 | 0 | None | None | None | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 2023 | 46 | 30 | 27 | -6.8 | NCCCC[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCNC(N)=O)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C1=O | 10.1016/s0960-894x(01)00323-7 | ||
| CHEMBL3038228 | 486438 | 0 | None | None | None | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 1951 | 43 | 28 | 26 | -6.2 | C[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N1)C(=O)O | 10.1016/s0960-894x(00)00535-7 | ||
| CHEMBL3327368 | 484264 | 0 | None | None | None | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 623 | 10 | 11 | 7 | -2.4 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1016/j.bmc.2014.07.004 | ||
| CHEMBL3327368 | 484264 | 0 | None | None | None | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 623 | 10 | 11 | 7 | -2.4 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1016/j.bmc.2014.07.004 | ||
| CHEMBL2370109 | 485521 | 0 | None | None | None | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 2037 | 47 | 30 | 27 | -6.7 | NCCCC[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC1=O | 10.1016/s0960-894x(00)00535-7 | ||
| CHEMBL2180076 | 488626 | 28 | None | 12 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 729 | 12 | 12 | 8 | -1.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm300926y | ||
| CHEMBL436283 | 488626 | 28 | None | 12 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 729 | 12 | 12 | 8 | -1.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm300926y | ||
| CHEMBL2370106 | 485519 | 0 | None | None | None | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 1979 | 43 | 29 | 26 | -7.2 | C[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC1=O | 10.1016/s0960-894x(00)00535-7 | ||
| CHEMBL2180076 | 488626 | 28 | None | 12 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 729 | 12 | 12 | 8 | -1.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm300926y | ||
| CHEMBL436283 | 488626 | 28 | None | 12 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 729 | 12 | 12 | 8 | -1.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm300926y | ||
| 72737615 | 318174 | 0 | None | None | None | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 623 | 10 | 11 | 7 | -2.4 | N=C(N)NCCC[C@@H]1NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2017.08.027 | ||
| CHEMBL4170463 | 318174 | 0 | None | None | None | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 623 | 10 | 11 | 7 | -2.4 | N=C(N)NCCC[C@@H]1NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2017.08.027 | ||
| 11505556 | 317479 | 0 | None | None | None | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 637 | 10 | 11 | 7 | -2.0 | C[C@H]1NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2017.08.027 | ||
| CHEMBL4159140 | 317479 | 0 | None | None | None | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 637 | 10 | 11 | 7 | -2.0 | C[C@H]1NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2017.08.027 | ||
| CHEMBL2180077 | 488625 | 0 | None | None | None | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 729 | 12 | 12 | 8 | -1.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1016/j.bmc.2014.07.004 | ||
| CHEMBL436097 | 488625 | 0 | None | None | None | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 729 | 12 | 12 | 8 | -1.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1016/j.bmc.2014.07.004 | ||
| CHEMBL2180077 | 488625 | 0 | None | None | None | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 729 | 12 | 12 | 8 | -1.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1016/j.bmc.2014.07.004 | ||
| CHEMBL436097 | 488625 | 0 | None | None | None | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 729 | 12 | 12 | 8 | -1.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1016/j.bmc.2014.07.004 | ||
| CHEMBL2180082 | 485283 | 0 | None | None | None | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 698 | 8 | 9 | 7 | 1.0 | N=C(N)NCCC[C@@H]1NC(=O)C2(CCCCC2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm300926y | ||
| CHEMBL2220520 | 485283 | 0 | None | None | None | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 698 | 8 | 9 | 7 | 1.0 | N=C(N)NCCC[C@@H]1NC(=O)C2(CCCCC2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm300926y | ||
| 134816893 | 332286 | 0 | None | None | None | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 352 | 4 | 0 | 6 | 2.1 | CN1CCN(c2cc(CN(C)C3CCCc4cccnc43)ncn2)CC1 | 10.1016/j.ejmech.2024.116594 | ||
| CHEMBL4299893 | 332286 | 0 | None | None | None | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 352 | 4 | 0 | 6 | 2.1 | CN1CCN(c2cc(CN(C)C3CCCc4cccnc43)ncn2)CC1 | 10.1016/j.ejmech.2024.116594 | ||
| CHEMBL2180082 | 485283 | 0 | None | None | None | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 698 | 8 | 9 | 7 | 1.0 | N=C(N)NCCC[C@@H]1NC(=O)C2(CCCCC2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm300926y | ||
| CHEMBL2220520 | 485283 | 0 | None | None | None | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 698 | 8 | 9 | 7 | 1.0 | N=C(N)NCCC[C@@H]1NC(=O)C2(CCCCC2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm300926y | ||
| CHEMBL3038227 | 477828 | 0 | None | None | None | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 1951 | 43 | 28 | 26 | -6.2 | CC(N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1016/s0960-894x(00)00535-7 | ||
| CHEMBL2180083 | 485284 | 0 | None | None | None | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 699 | 8 | 10 | 8 | -0.6 | N=C(N)NCCC[C@@H]1NC(=O)C2(CCNCC2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm300926y | ||
| CHEMBL2220521 | 485284 | 0 | None | None | None | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 699 | 8 | 10 | 8 | -0.6 | N=C(N)NCCC[C@@H]1NC(=O)C2(CCNCC2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm300926y | ||
| 72737063 | 327930 | 0 | None | None | None | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 729 | 12 | 12 | 8 | -1.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2cccc3ccccc23)NC1=O | 10.1016/j.ejmech.2017.08.027 | ||
| CHEMBL4173917 | 327930 | 0 | None | None | None | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 729 | 12 | 12 | 8 | -1.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2cccc3ccccc23)NC1=O | 10.1016/j.ejmech.2017.08.027 | ||
| CHEMBL2180083 | 485284 | 0 | None | None | None | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 699 | 8 | 10 | 8 | -0.6 | N=C(N)NCCC[C@@H]1NC(=O)C2(CCNCC2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm300926y | ||
| CHEMBL2220521 | 485284 | 0 | None | None | None | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 699 | 8 | 10 | 8 | -0.6 | N=C(N)NCCC[C@@H]1NC(=O)C2(CCNCC2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm300926y | ||
| 118712250 | 233125 | 0 | None | None | None | Human | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 468 | 14 | 8 | 4 | 0.9 | N=C(N)NCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCc1ccc2ccccc2c1 | 10.1016/j.bmc.2014.07.004 | ||
| CHEMBL3327366 | 233125 | 0 | None | None | None | Human | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 468 | 14 | 8 | 4 | 0.9 | N=C(N)NCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCc1ccc2ccccc2c1 | 10.1016/j.bmc.2014.07.004 | ||
| 118712250 | 233125 | 0 | None | None | None | Human | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 468 | 14 | 8 | 4 | 0.9 | N=C(N)NCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCc1ccc2ccccc2c1 | 10.1016/j.bmc.2014.07.004 | ||
| CHEMBL3327366 | 233125 | 0 | None | None | None | Human | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 468 | 14 | 8 | 4 | 0.9 | N=C(N)NCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCc1ccc2ccccc2c1 | 10.1016/j.bmc.2014.07.004 | ||
| 145972431 | 328047 | 0 | None | None | None | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 361 | 5 | 1 | 5 | 2.7 | O=C(c1ccc(-n2cccn2)nc1)N1CCC(NCc2ccccc2)CC1 | 10.1016/j.ejmech.2018.05.013 | ||
| CHEMBL4176060 | 328047 | 0 | None | None | None | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 361 | 5 | 1 | 5 | 2.7 | O=C(c1ccc(-n2cccn2)nc1)N1CCC(NCc2ccccc2)CC1 | 10.1016/j.ejmech.2018.05.013 | ||
| 145950976 | 327486 | 0 | None | None | None | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 391 | 4 | 2 | 5 | 2.5 | CN(C[C@H]1Cc2c(cccc2N2CCNCC2)CN1)[C@H]1CCCc2cccnc21 | 10.1016/j.ejmech.2024.116594 | ||
| CHEMBL4172669 | 327486 | 0 | None | None | None | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 391 | 4 | 2 | 5 | 2.5 | CN(C[C@H]1Cc2c(cccc2N2CCNCC2)CN1)[C@H]1CCCc2cccnc21 | 10.1016/j.ejmech.2024.116594 | ||
| CHEMBL2372999 | 485931 | 0 | None | None | None | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 2023 | 46 | 30 | 27 | -6.8 | NCCCC[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCNC(N)=O)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C1=O | 10.1016/s0960-894x(01)00323-7 | ||
| CHEMBL2372995 | 485927 | 0 | None | None | None | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 2023 | 46 | 30 | 27 | -6.8 | NCCCC[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C1=O | 10.1016/s0960-894x(01)00323-7 | ||
| CHEMBL3327373 | 486793 | 0 | None | None | None | Human | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 566 | 10 | 10 | 6 | -1.5 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1016/j.bmc.2014.07.004 | ||
| CHEMBL3327373 | 486793 | 0 | None | None | None | Human | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 566 | 10 | 10 | 6 | -1.5 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1016/j.bmc.2014.07.004 | ||
| 134144488 | 297441 | 0 | None | None | None | Human | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 602 | 10 | 6 | 5 | 2.4 | N=C(N)NCCCC1CSC2CN(Cc3ccc4ccccc4c3Br)C(=O)[C@H](CCCNC(=N)N)N2C1=O | 10.1016/j.bmc.2016.11.036 | ||
| CHEMBL3956669 | 297441 | 0 | None | None | None | Human | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 602 | 10 | 6 | 5 | 2.4 | N=C(N)NCCCC1CSC2CN(Cc3ccc4ccccc4c3Br)C(=O)[C@H](CCCNC(=N)N)N2C1=O | 10.1016/j.bmc.2016.11.036 | ||
| 134144488 | 297441 | 0 | None | None | None | Human | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 602 | 10 | 6 | 5 | 2.4 | N=C(N)NCCCC1CSC2CN(Cc3ccc4ccccc4c3Br)C(=O)[C@H](CCCNC(=N)N)N2C1=O | 10.1016/j.bmc.2016.11.036 | ||
| CHEMBL3956669 | 297441 | 0 | None | None | None | Human | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 602 | 10 | 6 | 5 | 2.4 | N=C(N)NCCCC1CSC2CN(Cc3ccc4ccccc4c3Br)C(=O)[C@H](CCCNC(=N)N)N2C1=O | 10.1016/j.bmc.2016.11.036 | ||
| 118712261 | 233127 | 0 | None | None | None | Human | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 538 | 11 | 6 | 5 | 1.6 | N=C(N)NCCC[C@@H]1CS[C@@H]2CN(CCc3ccc4ccccc4c3)C(=O)[C@H](CCCNC(=N)N)N2C1=O | 10.1016/j.bmc.2014.07.004 | ||
| CHEMBL3327376 | 233127 | 0 | None | None | None | Human | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 538 | 11 | 6 | 5 | 1.6 | N=C(N)NCCC[C@@H]1CS[C@@H]2CN(CCc3ccc4ccccc4c3)C(=O)[C@H](CCCNC(=N)N)N2C1=O | 10.1016/j.bmc.2014.07.004 | ||
| 118712261 | 233127 | 0 | None | None | None | Human | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 538 | 11 | 6 | 5 | 1.6 | N=C(N)NCCC[C@@H]1CS[C@@H]2CN(CCc3ccc4ccccc4c3)C(=O)[C@H](CCCNC(=N)N)N2C1=O | 10.1016/j.bmc.2014.07.004 | ||
| CHEMBL3327376 | 233127 | 0 | None | None | None | Human | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 538 | 11 | 6 | 5 | 1.6 | N=C(N)NCCC[C@@H]1CS[C@@H]2CN(CCc3ccc4ccccc4c3)C(=O)[C@H](CCCNC(=N)N)N2C1=O | 10.1016/j.bmc.2014.07.004 | ||
| CHEMBL2180085 | 485281 | 0 | None | None | None | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 687 | 11 | 10 | 8 | -0.6 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCN)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm300926y | ||
| CHEMBL2220487 | 485281 | 0 | None | None | None | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 687 | 11 | 10 | 8 | -0.6 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCN)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm300926y | ||
| CHEMBL2180085 | 485281 | 0 | None | None | None | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 687 | 11 | 10 | 8 | -0.6 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCN)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm300926y | ||
| CHEMBL2220487 | 485281 | 0 | None | None | None | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 687 | 11 | 10 | 8 | -0.6 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCN)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm300926y | ||
| CHEMBL2179709 | 485288 | 0 | None | None | None | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 777 | 11 | 12 | 8 | 0.2 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc(NC(=N)N)cc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm300926y | ||
| CHEMBL2221069 | 485288 | 0 | None | None | None | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 777 | 11 | 12 | 8 | 0.2 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc(NC(=N)N)cc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm300926y | ||
| CHEMBL2180076 | 488626 | 28 | None | 12 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 729 | 12 | 12 | 8 | -1.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1016/j.bmc.2024.117811 | ||
| CHEMBL436283 | 488626 | 28 | None | 12 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 729 | 12 | 12 | 8 | -1.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1016/j.bmc.2024.117811 | ||
| CHEMBL2372986 | 485922 | 0 | None | None | None | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 2024 | 46 | 30 | 27 | -6.2 | NCCCC[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCNC(N)=O)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C1=O | 10.1016/s0960-894x(01)00323-7 | ||
| CHEMBL2179709 | 485288 | 0 | None | None | None | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 777 | 11 | 12 | 8 | 0.2 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc(NC(=N)N)cc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm300926y | ||
| CHEMBL2221069 | 485288 | 0 | None | None | None | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 777 | 11 | 12 | 8 | 0.2 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc(NC(=N)N)cc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm300926y | ||
| CHEMBL2372990 | 485924 | 0 | None | None | None | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 2052 | 46 | 31 | 27 | -7.3 | NCCCC[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=O)NC1=O | 10.1016/s0960-894x(01)00323-7 | ||
| CHEMBL2372998 | 485930 | 0 | None | None | None | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 2021 | 46 | 30 | 27 | -7.6 | NCCCC[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C1=O | 10.1016/s0960-894x(01)00323-7 | ||
| CHEMBL2180086 | 485282 | 0 | None | None | None | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 720 | 10 | 9 | 7 | 0.9 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm300926y | ||
| CHEMBL2220488 | 485282 | 0 | None | None | None | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 720 | 10 | 9 | 7 | 0.9 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm300926y | ||
| CHEMBL2180086 | 485282 | 0 | None | None | None | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 720 | 10 | 9 | 7 | 0.9 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm300926y | ||
| CHEMBL2220488 | 485282 | 0 | None | None | None | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 720 | 10 | 9 | 7 | 0.9 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm300926y | ||
| CHEMBL2180077 | 488625 | 0 | None | None | None | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 729 | 12 | 12 | 8 | -1.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm300926y | ||
| CHEMBL436097 | 488625 | 0 | None | None | None | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 729 | 12 | 12 | 8 | -1.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm300926y | ||
| CHEMBL2180077 | 488625 | 0 | None | None | None | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 729 | 12 | 12 | 8 | -1.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm300926y | ||
| CHEMBL436097 | 488625 | 0 | None | None | None | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 729 | 12 | 12 | 8 | -1.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm300926y | ||
| 118712260 | 233126 | 0 | None | None | None | Human | 4.1 | pEC50 | = | 4.1 | Functional | ChEMBL | 538 | 11 | 6 | 5 | 1.6 | N=C(N)NCCC[C@H]1C(=O)N(CCc2ccc3ccccc3c2)C[C@@H]2SC[C@H](CCCNC(=N)N)C(=O)N21 | 10.1016/j.bmc.2014.07.004 | ||
| CHEMBL3327375 | 233126 | 0 | None | None | None | Human | 4.1 | pEC50 | = | 4.1 | Functional | ChEMBL | 538 | 11 | 6 | 5 | 1.6 | N=C(N)NCCC[C@H]1C(=O)N(CCc2ccc3ccccc3c2)C[C@@H]2SC[C@H](CCCNC(=N)N)C(=O)N21 | 10.1016/j.bmc.2014.07.004 | ||
| CHEMBL2370104 | 485517 | 0 | None | None | None | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 2025 | 47 | 31 | 27 | -7.8 | NCCCC[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC1=O | 10.1016/s0960-894x(00)00535-7 | ||
| 138491872 | 355716 | 0 | None | None | None | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 366 | 4 | 0 | 6 | 2.4 | Cc1nc(CN(C)C2CCCc3cccnc32)cc(N2CCN(C)CC2)n1 | 10.1016/j.ejmech.2024.116594 | ||
| CHEMBL4778921 | 355716 | 0 | None | None | None | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 366 | 4 | 0 | 6 | 2.4 | Cc1nc(CN(C)C2CCCc3cccnc32)cc(N2CCN(C)CC2)n1 | 10.1016/j.ejmech.2024.116594 | ||
| CHEMBL2372996 | 485928 | 0 | None | None | None | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 2024 | 46 | 30 | 27 | -6.2 | NCCCC[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C1=O | 10.1016/s0960-894x(01)00323-7 | ||
| 118712260 | 233126 | 0 | None | None | None | Human | 4.1 | pEC50 | = | 4.1 | Functional | ChEMBL | 538 | 11 | 6 | 5 | 1.6 | N=C(N)NCCC[C@H]1C(=O)N(CCc2ccc3ccccc3c2)C[C@@H]2SC[C@H](CCCNC(=N)N)C(=O)N21 | 10.1016/j.bmc.2014.07.004 | ||
| CHEMBL3327375 | 233126 | 0 | None | None | None | Human | 4.1 | pEC50 | = | 4.1 | Functional | ChEMBL | 538 | 11 | 6 | 5 | 1.6 | N=C(N)NCCC[C@H]1C(=O)N(CCc2ccc3ccccc3c2)C[C@@H]2SC[C@H](CCCNC(=N)N)C(=O)N21 | 10.1016/j.bmc.2014.07.004 | ||
| CHEMBL3327367 | 486792 | 0 | None | None | None | Human | 4.1 | pEC50 | = | 4.1 | Functional | ChEMBL | 568 | 16 | 10 | 6 | -1.1 | CC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O | 10.1016/j.bmc.2014.07.004 | ||
| CHEMBL3327367 | 486792 | 0 | None | None | None | Human | 4.1 | pEC50 | = | 4.1 | Functional | ChEMBL | 568 | 16 | 10 | 6 | -1.1 | CC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O | 10.1016/j.bmc.2014.07.004 | ||
| 24066 | 461890 | 61 | None | None | None | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 211 | 2 | 2 | 6 | -0.5 | Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1 | 10.1016/s0960-894x(01)00323-7 | ||
| CHEMBL853 | 461890 | 61 | None | None | None | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 211 | 2 | 2 | 6 | -0.5 | Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1 | 10.1016/s0960-894x(01)00323-7 | ||
| DB00943 | 461890 | 61 | None | None | None | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 211 | 2 | 2 | 6 | -0.5 | Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1 | 10.1016/s0960-894x(01)00323-7 | ||
| CHEMBL2370124 | 485523 | 0 | None | None | None | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 2037 | 47 | 30 | 27 | -6.7 | NCCCC[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCNC(N)=O)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC1=O | 10.1016/s0960-894x(00)00535-7 | ||
| CHEMBL2370137 | 485533 | 0 | None | None | None | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 1951 | 43 | 28 | 26 | -6.2 | C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC1=O | 10.1016/s0960-894x(00)00535-7 | ||
| 145958083 | 317815 | 0 | None | None | None | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 321 | 7 | 2 | 5 | 2.5 | O=C(NCCCNc1ccccc1)c1ccc(-n2cccn2)nc1 | 10.1016/j.ejmech.2018.05.013 | ||
| CHEMBL4164659 | 317815 | 0 | None | None | None | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 321 | 7 | 2 | 5 | 2.5 | O=C(NCCCNc1ccccc1)c1ccc(-n2cccn2)nc1 | 10.1016/j.ejmech.2018.05.013 | ||
| 11151928 | 352668 | 0 | None | -6 | 4 | Human | 9.0 | pED50 | = | 9 | Functional | ChEMBL | 338 | 11 | 2 | 2 | 4.3 | CCCCCCCCCCC(C)(C)C(=O)N[C@@H]1CCCCNC1=O | 10.1021/jm900133w | ||
| 11359715 | 352668 | 0 | None | -6 | 4 | Human | 9.0 | pED50 | = | 9 | Functional | ChEMBL | 338 | 11 | 2 | 2 | 4.3 | CCCCCCCCCCC(C)(C)C(=O)N[C@@H]1CCCCNC1=O | 10.1021/jm900133w | ||
| CHEMBL468720 | 352668 | 0 | None | -6 | 4 | Human | 9.0 | pED50 | = | 9 | Functional | ChEMBL | 338 | 11 | 2 | 2 | 4.3 | CCCCCCCCCCC(C)(C)C(=O)N[C@@H]1CCCCNC1=O | 10.1021/jm900133w | ||
| CHEMBL513863 | 352668 | 0 | None | -6 | 4 | Human | 9.0 | pED50 | = | 9 | Functional | ChEMBL | 338 | 11 | 2 | 2 | 4.3 | CCCCCCCCCCC(C)(C)C(=O)N[C@@H]1CCCCNC1=O | 10.1021/jm900133w | ||
| 138501621 | 354236 | 5 | None | None | None | Human | 10.7 | pIC50 | = | 10.7 | Functional | ChEMBL | 366 | 4 | 0 | 6 | 2.4 | Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2CCN(C)CC2)n1 | 10.1016/j.ejmech.2019.111914 | ||
| CHEMBL4751485 | 354236 | 5 | None | None | None | Human | 10.7 | pIC50 | = | 10.7 | Functional | ChEMBL | 366 | 4 | 0 | 6 | 2.4 | Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2CCN(C)CC2)n1 | 10.1016/j.ejmech.2019.111914 | ||
| 138501464 | 366823 | 5 | None | None | None | Human | 9.6 | pIC50 | = | 9.6 | Functional | ChEMBL | 366 | 4 | 0 | 6 | 2.6 | Cc1nc(CN2CCC[C@H]2c2ncccc2C)cc(N2CCN(C)CC2)n1 | 10.1016/j.ejmech.2020.112537 | ||
| CHEMBL4799439 | 366823 | 5 | None | None | None | Human | 9.6 | pIC50 | = | 9.6 | Functional | ChEMBL | 366 | 4 | 0 | 6 | 2.6 | Cc1nc(CN2CCC[C@H]2c2ncccc2C)cc(N2CCN(C)CC2)n1 | 10.1016/j.ejmech.2020.112537 | ||
| 138501432 | 366334 | 0 | None | None | None | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 380 | 4 | 0 | 6 | 3.0 | Cc1nc(CN2CCC[C@H]2c2ncccc2C)cc(N2CCCN(C)CC2)n1 | 10.1016/j.ejmech.2020.112537 | ||
| CHEMBL4792975 | 366334 | 0 | None | None | None | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 380 | 4 | 0 | 6 | 3.0 | Cc1nc(CN2CCC[C@H]2c2ncccc2C)cc(N2CCCN(C)CC2)n1 | 10.1016/j.ejmech.2020.112537 | ||
| 145975799 | 328584 | 0 | None | None | None | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 352 | 4 | 0 | 6 | 2.1 | CN1CCN(c2cc(CN(C)[C@H]3CCCc4cccnc43)ncn2)CC1 | 10.1016/j.ejmech.2018.02.042 | ||
| CHEMBL4203703 | 328584 | 0 | None | None | None | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 352 | 4 | 0 | 6 | 2.1 | CN1CCN(c2cc(CN(C)[C@H]3CCCc4cccnc43)ncn2)CC1 | 10.1016/j.ejmech.2018.02.042 | ||
| 49857283 | 136148 | 6 | None | None | None | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 472 | 10 | 3 | 9 | 3.0 | Fc1cnc(Cl)nc1NCc1ccc(CNc2ccnc(NCCN3CCOCC3)n2)cc1 | 10.1021/jm100786g | ||
| CHEMBL1802333 | 136148 | 6 | None | None | None | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 472 | 10 | 3 | 9 | 3.0 | Fc1cnc(Cl)nc1NCc1ccc(CNc2ccnc(NCCN3CCOCC3)n2)cc1 | 10.1021/jm100786g | ||
| 11718722 | 40540 | 12 | None | -1 | 4 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 420 | 5 | 1 | 7 | 2.5 | CN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)c(CO)n23)CC1 | 10.1128/aac.01293-09 | ||
| CHEMBL1242210 | 40540 | 12 | None | -1 | 4 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 420 | 5 | 1 | 7 | 2.5 | CN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)c(CO)n23)CC1 | 10.1128/aac.01293-09 | ||
| CHEMBL4163246 | 478043 | 0 | None | None | None | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 2157 | 49 | 35 | 27 | -5.1 | N=C(N)NCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c2ccc(F)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N1)C(N)=O | 10.1016/j.ejmech.2017.08.027 | ||
| 131801411 | 314193 | 1 | None | None | None | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 1009 | 18 | 15 | 13 | -1.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116669 | ||
| 177379330 | 314193 | 1 | None | None | None | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 1009 | 18 | 15 | 13 | -1.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116669 | ||
| 178323467 | 314193 | 1 | None | None | None | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 1009 | 18 | 15 | 13 | -1.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116669 | ||
| CHEMBL4089168 | 314193 | 1 | None | None | None | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 1009 | 18 | 15 | 13 | -1.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116669 | ||
| CHEMBL5612681 | 314193 | 1 | None | None | None | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 1009 | 18 | 15 | 13 | -1.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116669 | ||
| CHEMBL6175379 | 314193 | 1 | None | None | None | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 1009 | 18 | 15 | 13 | -1.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116669 | ||
| 76324529 | 213550 | 0 | None | None | None | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 455 | 10 | 2 | 5 | 4.4 | c1ccc(CNCCCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)nc1 | 10.1021/ml400183q | ||
| CHEMBL3091683 | 213550 | 0 | None | None | None | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 455 | 10 | 2 | 5 | 4.4 | c1ccc(CNCCCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)nc1 | 10.1021/ml400183q | ||
| 59176553 | 295151 | 0 | None | None | None | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 566 | 10 | 1 | 7 | 5.6 | c1cnc2c(c1)CCC[C@@H]2N(CCCN1CCNCC1)Cc1nccc2c3ccccc3n(CCC3CCOCC3)c12 | nan | ||
| CHEMBL3938042 | 295151 | 0 | None | None | None | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 566 | 10 | 1 | 7 | 5.6 | c1cnc2c(c1)CCC[C@@H]2N(CCCN1CCNCC1)Cc1nccc2c3ccccc3n(CCC3CCOCC3)c12 | nan | ||
| 44470245 | 297435 | 0 | None | None | None | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 513 | 9 | 1 | 7 | 5.5 | CC(C)(C)OC(=O)Cn1c2ccccc2c2ccnc(CN(CCCCN)[C@H]3CCCc4cccnc43)c21 | nan | ||
| CHEMBL3956608 | 297435 | 0 | None | None | None | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 513 | 9 | 1 | 7 | 5.5 | CC(C)(C)OC(=O)Cn1c2ccccc2c2ccnc(CN(CCCCN)[C@H]3CCCc4cccnc43)c21 | nan | ||
| 11718722 | 40540 | 12 | None | -1 | 4 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 420 | 5 | 1 | 7 | 2.5 | CN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)c(CO)n23)CC1 | 10.1128/aac.01293-09 | ||
| CHEMBL1242210 | 40540 | 12 | None | -1 | 4 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 420 | 5 | 1 | 7 | 2.5 | CN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)c(CO)n23)CC1 | 10.1128/aac.01293-09 | ||
| 25147749 | 4280 | 21 | None | -26 | 2 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 406 | 4 | 1 | 5 | 5.4 | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 | 10.1021/jm801065q | ||
| 2899 | 4280 | 21 | None | -26 | 2 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 406 | 4 | 1 | 5 | 5.4 | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 | 10.1021/jm801065q | ||
| CHEMBL460491 | 4280 | 21 | None | -26 | 2 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 406 | 4 | 1 | 5 | 5.4 | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 | 10.1021/jm801065q | ||
| 138501682 | 366808 | 0 | None | None | None | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 384 | 4 | 0 | 6 | 2.7 | Cc1nc(CN2CCC[C@H]2c2ncccc2C)c(F)c(N2CCN(C)CC2)n1 | 10.1016/j.ejmech.2020.112537 | ||
| CHEMBL4799191 | 366808 | 0 | None | None | None | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 384 | 4 | 0 | 6 | 2.7 | Cc1nc(CN2CCC[C@H]2c2ncccc2C)c(F)c(N2CCN(C)CC2)n1 | 10.1016/j.ejmech.2020.112537 | ||
| 53323182 | 119707 | 0 | None | None | None | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 388 | 6 | 2 | 6 | 3.5 | NCc1ncoc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 | 10.1016/j.bmcl.2010.11.023 | ||
| CHEMBL1644092 | 119707 | 0 | None | None | None | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 388 | 6 | 2 | 6 | 3.5 | NCc1ncoc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 | 10.1016/j.bmcl.2010.11.023 | ||
| 146970182 | 373183 | 2 | None | None | None | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 522 | 17 | 7 | 6 | 2.5 | N=C(N)NCCC[C@H](NCc1ccccn1)C(=O)NCc1ccc(CNCCCNC2CCCCC2)cc1 | 10.1016/j.ejmech.2022.114150 | ||
| CHEMBL5172755 | 373183 | 2 | None | None | None | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 522 | 17 | 7 | 6 | 2.5 | N=C(N)NCCC[C@H](NCc1ccccn1)C(=O)NCc1ccc(CNCCCNC2CCCCC2)cc1 | 10.1016/j.ejmech.2022.114150 | ||
| 138501436 | 355588 | 0 | None | None | None | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 391 | 4 | 0 | 7 | 2.4 | Cc1nc(CN2CCC[C@H]2c2ncccc2C)c(C#N)c(N2CCN(C)CC2)n1 | 10.1016/j.ejmech.2020.112537 | ||
| CHEMBL4777386 | 355588 | 0 | None | None | None | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 391 | 4 | 0 | 7 | 2.4 | Cc1nc(CN2CCC[C@H]2c2ncccc2C)c(C#N)c(N2CCN(C)CC2)n1 | 10.1016/j.ejmech.2020.112537 | ||
| 11565518 | 180712 | 59 | None | None | None | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 290 | 6 | 2 | 4 | 3.7 | c1ccc(NCc2ccc(CNc3ccccn3)cc2)nc1 | 10.1021/jm100786g | ||
| CHEMBL237830 | 180712 | 59 | None | None | None | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 290 | 6 | 2 | 4 | 3.7 | c1ccc(NCc2ccc(CNc3ccccn3)cc2)nc1 | 10.1021/jm100786g | ||
| 137655938 | 314839 | 0 | None | 64 | 2 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 362 | 6 | 2 | 4 | 3.0 | NC/C=C\CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 | 10.1021/acsmedchemlett.7b00406 | ||
| CHEMBL4096305 | 314839 | 0 | None | 64 | 2 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 362 | 6 | 2 | 4 | 3.0 | NC/C=C\CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 | 10.1021/acsmedchemlett.7b00406 | ||
| 21985038 | 119693 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 426 | 7 | 3 | 5 | 4.0 | NCc1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)c(CN)c1 | 10.1016/j.bmcl.2010.11.023 | ||
| CHEMBL1644073 | 119693 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 426 | 7 | 3 | 5 | 4.0 | NCc1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)c(CN)c1 | 10.1016/j.bmcl.2010.11.023 | ||
| 59176527 | 298655 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 413 | 7 | 1 | 5 | 4.7 | Cn1c2ccccc2c2ccnc(CN(CCCCN)C3CCCc4cccnc43)c21 | nan | ||
| CHEMBL3966991 | 298655 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 413 | 7 | 1 | 5 | 4.7 | Cn1c2ccccc2c2ccnc(CN(CCCCN)C3CCCc4cccnc43)c21 | nan | ||
| CHEMBL2372983 | 485920 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 2022 | 46 | 30 | 27 | -7.0 | NCCCC[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C1=O | 10.1016/s0960-894x(01)00323-7 | ||
| 146398849 | 368245 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 417 | 4 | 2 | 5 | 2.8 | CN(C[C@H]1Cc2c(cccc2N2C[C@@H]3CNC[C@@H]3C2)CN1)[C@H]1CCCc2cccnc21 | 10.1021/acsmedchemlett.1c00449 | ||
| CHEMBL4853570 | 368245 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 417 | 4 | 2 | 5 | 2.8 | CN(C[C@H]1Cc2c(cccc2N2C[C@@H]3CNC[C@@H]3C2)CN1)[C@H]1CCCc2cccnc21 | 10.1021/acsmedchemlett.1c00449 | ||
| 146398367 | 369799 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 419 | 5 | 1 | 5 | 3.2 | CN(C[C@H]1Cc2c(cccc2N2CC[C@@H](N(C)C)C2)CN1)[C@H]1CCCc2cccnc21 | 10.1021/acsmedchemlett.1c00449 | ||
| CHEMBL4877757 | 369799 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 419 | 5 | 1 | 5 | 3.2 | CN(C[C@H]1Cc2c(cccc2N2CC[C@@H](N(C)C)C2)CN1)[C@H]1CCCc2cccnc21 | 10.1021/acsmedchemlett.1c00449 | ||
| 146398374 | 368852 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 419 | 5 | 1 | 5 | 3.2 | CN(C)[C@H]1CCN(c2cccc3c2C[C@H](CN(C)[C@H]2CCCc4cccnc42)NC3)C1 | 10.1021/acsmedchemlett.1c00449 | ||
| CHEMBL4863276 | 368852 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 419 | 5 | 1 | 5 | 3.2 | CN(C)[C@H]1CCN(c2cccc3c2C[C@H](CN(C)[C@H]2CCCc4cccnc42)NC3)C1 | 10.1021/acsmedchemlett.1c00449 | ||
| 177658046 | 392713 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 960 | 19 | 16 | 12 | -4.1 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CNC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116669 | ||
| 177661154 | 392713 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 960 | 19 | 16 | 12 | -4.1 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CNC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116669 | ||
| CHEMBL5612305 | 392713 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 960 | 19 | 16 | 12 | -4.1 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CNC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116669 | ||
| CHEMBL5612901 | 392713 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 960 | 19 | 16 | 12 | -4.1 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CNC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116669 | ||
| 59176443 | 279883 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 399 | 7 | 2 | 4 | 4.7 | NCCCCN(Cc1cc2c(cn1)[nH]c1ccccc12)[C@H]1CCCc2cccnc21 | nan | ||
| CHEMBL3892436 | 279883 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 399 | 7 | 2 | 4 | 4.7 | NCCCCN(Cc1cc2c(cn1)[nH]c1ccccc12)[C@H]1CCCc2cccnc21 | nan | ||
| 145961199 | 317855 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 326 | 5 | 1 | 6 | 2.8 | CSc1nnc(-c2ccc(CNC(=O)c3ccccc3)nc2)o1 | 10.1016/j.ejmech.2017.08.027 | ||
| CHEMBL4165124 | 317855 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 326 | 5 | 1 | 6 | 2.8 | CSc1nnc(-c2ccc(CNC(=O)c3ccccc3)nc2)o1 | 10.1016/j.ejmech.2017.08.027 | ||
| 155523400 | 335295 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 342 | 6 | 1 | 2 | 4.7 | Cc1cccc(CNCC2CCN(Cc3ccccc3Cl)CC2)c1 | 10.1016/j.ejmech.2018.10.060 | ||
| CHEMBL4452433 | 335295 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 342 | 6 | 1 | 2 | 4.7 | Cc1cccc(CNCC2CCN(Cc3ccccc3Cl)CC2)c1 | 10.1016/j.ejmech.2018.10.060 | ||
| 56750906 | 241557 | 3 | None | 10 | 2 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 332 | 5 | 1 | 3 | 3.8 | c1ccc(Cc2cn[nH]c2C2CCN(Cc3ccncc3)CC2)cc1 | 10.1021/acsmedchemlett.5b00036 | ||
| CHEMBL3608763 | 241557 | 3 | None | 10 | 2 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 332 | 5 | 1 | 3 | 3.8 | c1ccc(Cc2cn[nH]c2C2CCN(Cc3ccncc3)CC2)cc1 | 10.1021/acsmedchemlett.5b00036 | ||
| 59176363 | 291441 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 399 | 6 | 1 | 5 | 4.4 | CN(Cc1nccc2c3ccccc3n(CCCN)c12)[C@H]1CCCc2cccnc21 | nan | ||
| CHEMBL3908514 | 291441 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 399 | 6 | 1 | 5 | 4.4 | CN(Cc1nccc2c3ccccc3n(CCCN)c12)[C@H]1CCCc2cccnc21 | nan | ||
| 172451431 | 388006 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 1457 | 46 | 23 | 19 | -3.7 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | ||
| 172461827 | 388006 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 1457 | 46 | 23 | 19 | -3.7 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | ||
| CHEMBL5408315 | 388006 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 1457 | 46 | 23 | 19 | -3.7 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | ||
| CHEMBL5431168 | 388006 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 1457 | 46 | 23 | 19 | -3.7 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | ||
| 172452641 | 388187 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 1443 | 45 | 23 | 19 | -4.1 | CC(C)C[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | ||
| 172467876 | 388187 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 1443 | 45 | 23 | 19 | -4.1 | CC(C)C[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | ||
| CHEMBL5411776 | 388187 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 1443 | 45 | 23 | 19 | -4.1 | CC(C)C[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | ||
| CHEMBL5434525 | 388187 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 1443 | 45 | 23 | 19 | -4.1 | CC(C)C[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | ||
| 11176403 | 4278 | 1 | None | 1 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 378 | 4 | 1 | 5 | 4.6 | C1CCC(CC1)N/C(=N/C1CCCCC1)/SCc1csc2=NCCn12 | 10.1021/jm801065q | ||
| 2900 | 4278 | 1 | None | 1 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 378 | 4 | 1 | 5 | 4.6 | C1CCC(CC1)N/C(=N/C1CCCCC1)/SCc1csc2=NCCn12 | 10.1021/jm801065q | ||
| CHEMBL452864 | 4278 | 1 | None | 1 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 378 | 4 | 1 | 5 | 4.6 | C1CCC(CC1)N/C(=N/C1CCCCC1)/SCc1csc2=NCCn12 | 10.1021/jm801065q | ||
| 145956817 | 317744 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 378 | 7 | 2 | 4 | 3.5 | Cc1cnc2c(c1)CCC[C@@H]2N(CCCCN)C[C@H]1Cc2ccccc2CN1 | 10.1021/acsmedchemlett.7b00381 | ||
| CHEMBL4163573 | 317744 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 378 | 7 | 2 | 4 | 3.5 | Cc1cnc2c(c1)CCC[C@@H]2N(CCCCN)C[C@H]1Cc2ccccc2CN1 | 10.1021/acsmedchemlett.7b00381 | ||
| 10126019 | 18479 | 18 | None | None | None | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 349 | 7 | 2 | 4 | 3.6 | NCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 | 10.1021/jm100073m | ||
| CHEMBL1088913 | 18479 | 18 | None | None | None | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 349 | 7 | 2 | 4 | 3.6 | NCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 | 10.1021/jm100073m | ||
| 21985074 | 119694 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 427 | 7 | 3 | 5 | 4.0 | NCc1cc(CO)ccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 | 10.1016/j.bmcl.2010.11.023 | ||
| CHEMBL1644074 | 119694 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 427 | 7 | 3 | 5 | 4.0 | NCc1cc(CO)ccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 | 10.1016/j.bmcl.2010.11.023 | ||
| 59176432 | 310322 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 443 | 9 | 2 | 6 | 4.2 | NCCCCN(Cc1nccc2c3ccccc3n(CCO)c12)[C@H]1CCCc2cccnc21 | nan | ||
| CHEMBL3986397 | 310322 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 443 | 9 | 2 | 6 | 4.2 | NCCCCN(Cc1nccc2c3ccccc3n(CCO)c12)[C@H]1CCCc2cccnc21 | nan | ||
| 146398910 | 369613 | 0 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 431 | 4 | 1 | 5 | 3.2 | CN(C[C@H]1Cc2c(cccc2N2C[C@@H]3CCN(C)[C@@H]3C2)CN1)[C@H]1CCCc2cccnc21 | 10.1021/acsmedchemlett.1c00449 | ||
| CHEMBL4875030 | 369613 | 0 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 431 | 4 | 1 | 5 | 3.2 | CN(C[C@H]1Cc2c(cccc2N2C[C@@H]3CCN(C)[C@@H]3C2)CN1)[C@H]1CCCc2cccnc21 | 10.1021/acsmedchemlett.1c00449 | ||
| 59176435 | 295071 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 539 | 10 | 3 | 7 | 4.1 | NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)NC3CCNCC3)c12)[C@H]1CCCc2cccnc21 | nan | ||
| CHEMBL3937507 | 295071 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 539 | 10 | 3 | 7 | 4.1 | NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)NC3CCNCC3)c12)[C@H]1CCCc2cccnc21 | nan | ||
| 71455186 | 174315 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 414 | 12 | 2 | 4 | 4.4 | C[C@H]1CCCCN1CCCNCc1ccc(CNCCCN2CCCC[C@@H]2C)cc1 | 10.1021/jm300862u | ||
| CHEMBL2219950 | 174315 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 414 | 12 | 2 | 4 | 4.4 | C[C@H]1CCCCN1CCCNCc1ccc(CNCCCN2CCCC[C@@H]2C)cc1 | 10.1021/jm300862u | ||
| 172447516 | 388265 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 1475 | 47 | 23 | 20 | -4.0 | CSCC[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | ||
| 172464691 | 388265 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 1475 | 47 | 23 | 20 | -4.0 | CSCC[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | ||
| 172467966 | 388265 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 1475 | 47 | 23 | 20 | -4.0 | CSCC[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | ||
| CHEMBL5413479 | 388265 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 1475 | 47 | 23 | 20 | -4.0 | CSCC[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | ||
| CHEMBL5432339 | 388265 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 1475 | 47 | 23 | 20 | -4.0 | CSCC[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | ||
| CHEMBL5436512 | 388265 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 1475 | 47 | 23 | 20 | -4.0 | CSCC[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | ||
| 53325442 | 121219 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 352 | 8 | 1 | 4 | 3.8 | CC(c1ccccn1)N(CCCCN)Cc1ncccc1C(F)(F)F | 10.1016/j.bmcl.2011.01.021 | ||
| CHEMBL1682988 | 121219 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 352 | 8 | 1 | 4 | 3.8 | CC(c1ccccn1)N(CCCCN)Cc1ncccc1C(F)(F)F | 10.1016/j.bmcl.2011.01.021 | ||
| 177658501 | 392737 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 973 | 20 | 15 | 11 | -2.1 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CNC(=O)[C@@H](CCC(C)C)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116669 | ||
| CHEMBL5612563 | 392737 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 973 | 20 | 15 | 11 | -2.1 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CNC(=O)[C@@H](CCC(C)C)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116669 | ||
| 59176375 | 291725 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 512 | 9 | 2 | 7 | 3.8 | O=C(O)Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc43)c21 | nan | ||
| CHEMBL3910841 | 291725 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 512 | 9 | 2 | 7 | 3.8 | O=C(O)Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc43)c21 | nan | ||
| 135314388 | 313284 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 412 | 6 | 2 | 4 | 4.1 | NCc1ccc(CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)cc1 | 10.1021/acs.jmedchem.7b01420 | ||
| CHEMBL4078260 | 313284 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 412 | 6 | 2 | 4 | 4.1 | NCc1ccc(CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)cc1 | 10.1021/acs.jmedchem.7b01420 | ||
| 145949156 | 318194 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 419 | 7 | 2 | 5 | 2.8 | c1ccc2c(c1)CN[C@H](CN(CCCN1CCNCC1)[C@H]1CCCc3cccnc31)C2 | 10.1021/acsmedchemlett.8b00030 | ||
| CHEMBL4170857 | 318194 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 419 | 7 | 2 | 5 | 2.8 | c1ccc2c(c1)CN[C@H](CN(CCCN1CCNCC1)[C@H]1CCCc3cccnc31)C2 | 10.1021/acsmedchemlett.8b00030 | ||
| 172440437 | 387517 | 0 | None | None | None | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 1517 | 48 | 23 | 20 | -3.8 | CSCC[C@@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | ||
| 172441538 | 387517 | 0 | None | None | None | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 1517 | 48 | 23 | 20 | -3.8 | CSCC[C@@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | ||
| CHEMBL5397712 | 387517 | 0 | None | None | None | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 1517 | 48 | 23 | 20 | -3.8 | CSCC[C@@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | ||
| CHEMBL5398141 | 387517 | 0 | None | None | None | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 1517 | 48 | 23 | 20 | -3.8 | CSCC[C@@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | ||
| 172455736 | 388488 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 1167 | 37 | 18 | 14 | -2.3 | CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(N)=O | 10.1021/acs.jmedchem.3c01128 | ||
| CHEMBL5417672 | 388488 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 1167 | 37 | 18 | 14 | -2.3 | CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(N)=O | 10.1021/acs.jmedchem.3c01128 | ||
| 59176619 | 309051 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 399 | 7 | 2 | 4 | 4.7 | NCCCCN(Cc1cc2c(cn1)[nH]c1ccccc12)[C@@H]1CCCc2cccnc21 | nan | ||
| CHEMBL4115277 | 309051 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 399 | 7 | 2 | 4 | 4.7 | NCCCCN(Cc1cc2c(cn1)[nH]c1ccccc12)[C@@H]1CCCc2cccnc21 | nan | ||
| 21985008 | 22559 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 397 | 6 | 2 | 4 | 4.5 | NCc1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)cc1 | 10.1021/jm100073m | ||
| CHEMBL1092324 | 22559 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 397 | 6 | 2 | 4 | 4.5 | NCc1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)cc1 | 10.1021/jm100073m | ||
| 172440437 | 387517 | 0 | None | None | None | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 1517 | 48 | 23 | 20 | -3.8 | CSCC[C@@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | ||
| 172441538 | 387517 | 0 | None | None | None | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 1517 | 48 | 23 | 20 | -3.8 | CSCC[C@@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | ||
| CHEMBL5397712 | 387517 | 0 | None | None | None | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 1517 | 48 | 23 | 20 | -3.8 | CSCC[C@@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | ||
| CHEMBL5398141 | 387517 | 0 | None | None | None | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 1517 | 48 | 23 | 20 | -3.8 | CSCC[C@@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | ||
| 135313965 | 318273 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 421 | 7 | 1 | 6 | 3.9 | c1cnc2c(c1)CCC[C@@H]2N(CCCN1CCNCC1)Cc1nc2ccccc2s1 | 10.1021/acsmedchemlett.8b00030 | ||
| CHEMBL4172234 | 318273 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 421 | 7 | 1 | 6 | 3.9 | c1cnc2c(c1)CCC[C@@H]2N(CCCN1CCNCC1)Cc1nc2ccccc2s1 | 10.1021/acsmedchemlett.8b00030 | ||
| 53325426 | 119705 | 0 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 387 | 6 | 2 | 5 | 4.1 | NCc1ccoc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 | 10.1016/j.bmcl.2010.11.023 | ||
| CHEMBL1644088 | 119705 | 0 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 387 | 6 | 2 | 5 | 4.1 | NCc1ccoc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 | 10.1016/j.bmcl.2010.11.023 | ||
| 59176381 | 294014 | 0 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 526 | 9 | 1 | 7 | 4.1 | NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCOCC3)c12)[C@H]1CCCc2cccnc21 | nan | ||
| CHEMBL3929073 | 294014 | 0 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 526 | 9 | 1 | 7 | 4.1 | NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCOCC3)c12)[C@H]1CCCc2cccnc21 | nan | ||
| 4410 | 6381 | 68 | None | -316 | 4 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/jm1012374 | ||
| 65015 | 6381 | 68 | None | -316 | 4 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/jm1012374 | ||
| 844 | 6381 | 68 | None | -316 | 4 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/jm1012374 | ||
| CHEMBL18442 | 6381 | 68 | None | -316 | 4 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/jm1012374 | ||
| DB06809 | 6381 | 68 | None | -316 | 4 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/jm1012374 | ||
| 483559 | 355444 | 35 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1021/jm1012374 | ||
| CHEMBL477121 | 355444 | 35 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1021/jm1012374 | ||
| CHEMBL2372993 | 485925 | 0 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 2022 | 46 | 30 | 27 | -7.2 | NCCCC[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C1=O | 10.1016/s0960-894x(01)00323-7 | ||
| 145953887 | 318056 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 386 | 6 | 2 | 8 | 3.1 | CSc1nnc(-c2ccc(CNC(=O)Nc3ccc([N+](=O)[O-])cc3)nc2)o1 | 10.1016/j.ejmech.2017.08.027 | ||
| CHEMBL4168547 | 318056 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 386 | 6 | 2 | 8 | 3.1 | CSc1nnc(-c2ccc(CNC(=O)Nc3ccc([N+](=O)[O-])cc3)nc2)o1 | 10.1016/j.ejmech.2017.08.027 | ||
| 59176391 | 291409 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 490 | 9 | 1 | 6 | 5.6 | NCCCCN(Cc1nccc2c3ccccc3n(Cc3ccncc3)c12)[C@H]1CCCc2cccnc21 | nan | ||
| CHEMBL3908253 | 291409 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 490 | 9 | 1 | 6 | 5.6 | NCCCCN(Cc1nccc2c3ccccc3n(Cc3ccncc3)c12)[C@H]1CCCc2cccnc21 | nan | ||
| 122192917 | 251948 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 317 | 7 | 3 | 5 | 1.1 | NCCCCN(C[C@@H]1CNCCN1)[C@H]1CCCc2cccnc21 | 10.1016/j.bmcl.2015.04.036 | ||
| CHEMBL3627789 | 251948 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 317 | 7 | 3 | 5 | 1.1 | NCCCCN(C[C@@H]1CNCCN1)[C@H]1CCCc2cccnc21 | 10.1016/j.bmcl.2015.04.036 | ||
| 172444607 | 387759 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 1479 | 48 | 23 | 21 | -4.5 | CC[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CO)C(=O)O | 10.1021/acs.jmedchem.3c01128 | ||
| 172463834 | 387759 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 1479 | 48 | 23 | 21 | -4.5 | CC[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CO)C(=O)O | 10.1021/acs.jmedchem.3c01128 | ||
| CHEMBL5403146 | 387759 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 1479 | 48 | 23 | 21 | -4.5 | CC[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CO)C(=O)O | 10.1021/acs.jmedchem.3c01128 | ||
| CHEMBL5433597 | 387759 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 1479 | 48 | 23 | 21 | -4.5 | CC[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CO)C(=O)O | 10.1021/acs.jmedchem.3c01128 | ||
| 59176500 | 290700 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 554 | 9 | 1 | 7 | 4.8 | C[C@H]1CN(C(=O)Cn2c3ccccc3c3ccnc(CN(CCCCN)[C@H]4CCCc5cccnc54)c32)C[C@@H](C)O1 | nan | ||
| CHEMBL3902352 | 290700 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 554 | 9 | 1 | 7 | 4.8 | C[C@H]1CN(C(=O)Cn2c3ccccc3c3ccnc(CN(CCCCN)[C@H]4CCCc5cccnc54)c32)C[C@@H](C)O1 | nan | ||
| 59176411 | 291455 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 580 | 9 | 1 | 7 | 5.1 | O=C(Cn1c2ccccc2c2ccnc(CN(CCCC3CCNCC3)[C@H]3CCCc4cccnc43)c21)N1CCOCC1 | nan | ||
| CHEMBL3908632 | 291455 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 580 | 9 | 1 | 7 | 5.1 | O=C(Cn1c2ccccc2c2ccnc(CN(CCCC3CCNCC3)[C@H]3CCCc4cccnc43)c21)N1CCOCC1 | nan | ||
| 145959844 | 317845 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 433 | 7 | 1 | 5 | 3.1 | CN1CCN(CCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 | 10.1021/acsmedchemlett.8b00030 | ||
| CHEMBL4165032 | 317845 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 433 | 7 | 1 | 5 | 3.1 | CN1CCN(CCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 | 10.1021/acsmedchemlett.8b00030 | ||
| 10146 | 2618 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 404 | 7 | 1 | 2 | 6.0 | Clc1ccccc1CN1CCC(CC1)CNCc1cccc(c1)c1ccccc1 | 10.1016/j.ejmech.2018.10.060 | ||
| 137321154 | 2618 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 404 | 7 | 1 | 2 | 6.0 | Clc1ccccc1CN1CCC(CC1)CNCc1cccc(c1)c1ccccc1 | 10.1016/j.ejmech.2018.10.060 | ||
| CHEMBL4596188 | 2618 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 404 | 7 | 1 | 2 | 6.0 | Clc1ccccc1CN1CCC(CC1)CNCc1cccc(c1)c1ccccc1 | 10.1016/j.ejmech.2018.10.060 | ||
| 21984997 | 119696 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 441 | 7 | 3 | 5 | 4.2 | NCc1cc(C(=O)O)ccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 | 10.1016/j.bmcl.2010.11.023 | ||
| CHEMBL1644076 | 119696 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 441 | 7 | 3 | 5 | 4.2 | NCc1cc(C(=O)O)ccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 | 10.1016/j.bmcl.2010.11.023 | ||
| 72535470 | 292950 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 539 | 10 | 3 | 7 | 4.1 | NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)NC3CCNCC3)c12)C1CCCc2cccnc21 | nan | ||
| CHEMBL3920438 | 292950 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 539 | 10 | 3 | 7 | 4.1 | NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)NC3CCNCC3)c12)C1CCCc2cccnc21 | nan | ||
| 59176401 | 293756 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 566 | 7 | 1 | 7 | 4.8 | N[C@H]1CC[C@@H](CN(Cc2nccc3c4ccccc4n(CC(=O)N4CCOCC4)c23)[C@H]2CCCc3cccnc32)CC1 | nan | ||
| CHEMBL3927015 | 293756 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 566 | 7 | 1 | 7 | 4.8 | N[C@H]1CC[C@@H](CN(Cc2nccc3c4ccccc4n(CC(=O)N4CCOCC4)c23)[C@H]2CCCc3cccnc32)CC1 | nan | ||
| 142416702 | 317615 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 356 | 8 | 2 | 4 | 2.8 | Cc1cc(F)cnc1CN(CCCCN)C[C@H]1Cc2ccccc2CN1 | 10.1021/acsmedchemlett.7b00381 | ||
| CHEMBL4161409 | 317615 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 356 | 8 | 2 | 4 | 2.8 | Cc1cc(F)cnc1CN(CCCCN)C[C@H]1Cc2ccccc2CN1 | 10.1021/acsmedchemlett.7b00381 | ||
| 53326308 | 121176 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 326 | 7 | 2 | 5 | 2.8 | NCCCCN(Cc1ncccc1O)C1CCCc2cccnc21 | 10.1016/j.bmcl.2011.01.021 | ||
| CHEMBL1682862 | 121176 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 326 | 7 | 2 | 5 | 2.8 | NCCCCN(Cc1ncccc1O)C1CCCc2cccnc21 | 10.1016/j.bmcl.2011.01.021 | ||
| 137641749 | 313943 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 362 | 6 | 2 | 4 | 3.0 | NC/C=C/CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 | 10.1021/acs.jmedchem.7b01420 | ||
| CHEMBL4086147 | 313943 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 362 | 6 | 2 | 4 | 3.0 | NC/C=C/CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 | 10.1021/acs.jmedchem.7b01420 | ||
| 25178144 | 350815 | 0 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 430 | 4 | 1 | 5 | 5.1 | C1=C(CS/C(=N\C2CCCCC2)NC2C3CC4CC(C3)CC2C4)N2CCN=C2S1 | 10.1021/jm801065q | ||
| CHEMBL461359 | 350815 | 0 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 430 | 4 | 1 | 5 | 5.1 | C1=C(CS/C(=N\C2CCCCC2)NC2C3CC4CC(C3)CC2C4)N2CCN=C2S1 | 10.1021/jm801065q | ||
| 10126019 | 18479 | 18 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 349 | 7 | 2 | 4 | 3.6 | NCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 | 10.1016/j.ejmech.2017.08.027 | ||
| CHEMBL1088913 | 18479 | 18 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 349 | 7 | 2 | 4 | 3.6 | NCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 | 10.1016/j.ejmech.2017.08.027 | ||
| 145956824 | 317757 | 0 | None | 1412 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 376 | 6 | 2 | 4 | 3.1 | NCC1CC1CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 | 10.1021/acsmedchemlett.7b00406 | ||
| CHEMBL4163770 | 317757 | 0 | None | 1412 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 376 | 6 | 2 | 4 | 3.1 | NCC1CC1CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 | 10.1021/acsmedchemlett.7b00406 | ||
| 138501429 | 356331 | 0 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 394 | 5 | 0 | 6 | 3.4 | Cc1nc(CN2CCC[C@H]2c2ncccc2C)cc(N2CCC(N(C)C)CC2)n1 | 10.1016/j.ejmech.2020.112537 | ||
| CHEMBL4787045 | 356331 | 0 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 394 | 5 | 0 | 6 | 3.4 | Cc1nc(CN2CCC[C@H]2c2ncccc2C)cc(N2CCC(N(C)C)CC2)n1 | 10.1016/j.ejmech.2020.112537 | ||
| 53326939 | 119709 | 0 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 389 | 5 | 2 | 5 | 4.6 | NCc1cscc1N(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 | 10.1016/j.bmcl.2010.11.023 | ||
| CHEMBL1644095 | 119709 | 0 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 389 | 5 | 2 | 5 | 4.6 | NCc1cscc1N(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 | 10.1016/j.bmcl.2010.11.023 | ||
| 44242668 | 290899 | 0 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 511 | 10 | 1 | 6 | 6.0 | NCCCCN(Cc1nccc2c3ccccc3n(CCC3CCOCC3)c12)[C@H]1CCCc2cccnc21 | nan | ||
| CHEMBL3903887 | 290899 | 0 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 511 | 10 | 1 | 6 | 6.0 | NCCCCN(Cc1nccc2c3ccccc3n(CCC3CCOCC3)c12)[C@H]1CCCc2cccnc21 | nan | ||
| 146399128 | 368487 | 0 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 433 | 5 | 1 | 5 | 3.6 | CN1CCC(N(C)c2cccc3c2C[C@H](CN(C)[C@H]2CCCc4cccnc42)NC3)CC1 | 10.1021/acsmedchemlett.1c00449 | ||
| CHEMBL4857452 | 368487 | 0 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 433 | 5 | 1 | 5 | 3.6 | CN1CCC(N(C)c2cccc3c2C[C@H](CN(C)[C@H]2CCCc4cccnc42)NC3)CC1 | 10.1021/acsmedchemlett.1c00449 | ||
| 145957553 | 317765 | 0 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 419 | 5 | 1 | 5 | 3.2 | CCN1CCN(c2cccc3c2C[C@H](CN(C)[C@H]2CCCc4cccnc42)NC3)CC1 | 10.1021/acs.jmedchem.8b00450 | ||
| CHEMBL4163874 | 317765 | 0 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 419 | 5 | 1 | 5 | 3.2 | CCN1CCN(c2cccc3c2C[C@H](CN(C)[C@H]2CCCc4cccnc42)NC3)CC1 | 10.1021/acs.jmedchem.8b00450 | ||
| 137641749 | 313943 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 362 | 6 | 2 | 4 | 3.0 | NC/C=C/CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 | 10.1021/acsmedchemlett.7b00406 | ||
| CHEMBL4086147 | 313943 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 362 | 6 | 2 | 4 | 3.0 | NC/C=C/CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 | 10.1021/acsmedchemlett.7b00406 | ||
| 122192918 | 251949 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 393 | 8 | 2 | 5 | 3.0 | NCCCCN(CC1CN(c2ccccc2)CCN1)[C@H]1CCCc2cccnc21 | 10.1016/j.bmcl.2015.04.036 | ||
| CHEMBL3627790 | 251949 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 393 | 8 | 2 | 5 | 3.0 | NCCCCN(CC1CN(c2ccccc2)CCN1)[C@H]1CCCc2cccnc21 | 10.1016/j.bmcl.2015.04.036 | ||
| 135314386 | 313682 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 503 | 9 | 2 | 5 | 5.4 | c1ccc2c(c1)CN[C@@H](CN(Cc1ccc(CNCc3ccncc3)cc1)[C@H]1CCCc3cccnc31)C2 | 10.1021/acs.jmedchem.7b01420 | ||
| CHEMBL4083122 | 313682 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 503 | 9 | 2 | 5 | 5.4 | c1ccc2c(c1)CN[C@@H](CN(Cc1ccc(CNCc3ccncc3)cc1)[C@H]1CCCc3cccnc31)C2 | 10.1021/acs.jmedchem.7b01420 | ||
| 70924203 | 309031 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 399 | 7 | 2 | 4 | 4.7 | NCCCCN(Cc1nccc2c1[nH]c1ccccc12)[C@@H]1CCCc2cccnc21 | nan | ||
| CHEMBL4114592 | 309031 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 399 | 7 | 2 | 4 | 4.7 | NCCCCN(Cc1nccc2c1[nH]c1ccccc12)[C@@H]1CCCc2cccnc21 | nan | ||
| 59176375 | 291725 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 512 | 9 | 2 | 7 | 3.8 | O=C(O)Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc43)c21 | nan | ||
| CHEMBL3910841 | 291725 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 512 | 9 | 2 | 7 | 3.8 | O=C(O)Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc43)c21 | nan | ||
| 10149770 | 22706 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 321 | 5 | 2 | 4 | 2.8 | NCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 | 10.1021/jm100073m | ||
| CHEMBL1093302 | 22706 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 321 | 5 | 2 | 4 | 2.8 | NCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 | 10.1021/jm100073m | ||
| 59176448 | 309532 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 655 | 11 | 1 | 8 | 5.0 | O=C1CN(CCCN(Cc2nccc3c4ccccc4n(CCCN4C(=O)c5ccccc5C4=O)c23)[C@H]2CCCc3cccnc32)CCN1 | nan | ||
| CHEMBL3978984 | 309532 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 655 | 11 | 1 | 8 | 5.0 | O=C1CN(CCCN(Cc2nccc3c4ccccc4n(CCCN4C(=O)c5ccccc5C4=O)c23)[C@H]2CCCc3cccnc32)CCN1 | nan | ||
| 172451431 | 388006 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 1457 | 46 | 23 | 19 | -3.7 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | ||
| 172461827 | 388006 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 1457 | 46 | 23 | 19 | -3.7 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | ||
| CHEMBL5408315 | 388006 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 1457 | 46 | 23 | 19 | -3.7 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | ||
| CHEMBL5431168 | 388006 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 1457 | 46 | 23 | 19 | -3.7 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | ||
| 59176417 | 293295 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 617 | 12 | 1 | 8 | 5.3 | O=C(Cn1c2ccccc2c2ccnc(CN(CCCCNCc3cccnc3)[C@H]3CCCc4cccnc43)c21)N1CCOCC1 | nan | ||
| CHEMBL3923061 | 293295 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 617 | 12 | 1 | 8 | 5.3 | O=C(Cn1c2ccccc2c2ccnc(CN(CCCCNCc3cccnc3)[C@H]3CCCc4cccnc43)c21)N1CCOCC1 | nan | ||
| 59176387 | 279715 | 0 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 508 | 9 | 1 | 6 | 5.2 | c1cnc2c(c1)CCC[C@@H]2N(CCCN1CCNCC1)Cc1nccc2c3ccccc3n(CC3CC3)c12 | nan | ||
| CHEMBL3891093 | 279715 | 0 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 508 | 9 | 1 | 6 | 5.2 | c1cnc2c(c1)CCC[C@@H]2N(CCCN1CCNCC1)Cc1nccc2c3ccccc3n(CC3CC3)c12 | nan | ||
| 145956312 | 318181 | 0 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 433 | 4 | 1 | 5 | 3.6 | C[C@H]1CN(c2cccc3c2C[C@H](CN(C)[C@H]2CCCc4cccnc42)NC3)C[C@@H](C)N1C | 10.1021/acs.jmedchem.8b00450 | ||
| CHEMBL4170542 | 318181 | 0 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 433 | 4 | 1 | 5 | 3.6 | C[C@H]1CN(c2cccc3c2C[C@H](CN(C)[C@H]2CCCc4cccnc42)NC3)C[C@@H](C)N1C | 10.1021/acs.jmedchem.8b00450 | ||
| 145953040 | 318098 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 405 | 5 | 2 | 5 | 2.9 | CCN(C[C@H]1Cc2c(cccc2N2CCNCC2)CN1)[C@H]1CCCc2cccnc21 | 10.1021/acs.jmedchem.8b00450 | ||
| CHEMBL4169280 | 318098 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 405 | 5 | 2 | 5 | 2.9 | CCN(C[C@H]1Cc2c(cccc2N2CCNCC2)CN1)[C@H]1CCCc2cccnc21 | 10.1021/acs.jmedchem.8b00450 | ||
| 72546066 | 213560 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 406 | 8 | 1 | 4 | 4.3 | CC(C)N1Cc2ccccc2C[C@@H]1CN(CCCCN)[C@H]1CCCc2cccnc21 | 10.1021/ml400183q | ||
| CHEMBL3091694 | 213560 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 406 | 8 | 1 | 4 | 4.3 | CC(C)N1Cc2ccccc2C[C@@H]1CN(CCCCN)[C@H]1CCCc2cccnc21 | 10.1021/ml400183q | ||
| 9887073 | 22035 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 397 | 6 | 2 | 4 | 4.5 | NCc1cccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)c1 | 10.1021/jm100073m | ||
| CHEMBL1088867 | 22035 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 397 | 6 | 2 | 4 | 4.5 | NCc1cccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)c1 | 10.1021/jm100073m | ||
| 59176474 | 291593 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 385 | 5 | 1 | 5 | 4.1 | CN(Cc1nccc2c3ccccc3n(CCN)c12)[C@H]1CCCc2cccnc21 | nan | ||
| CHEMBL3909728 | 291593 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 385 | 5 | 1 | 5 | 4.1 | CN(Cc1nccc2c3ccccc3n(CCN)c12)[C@H]1CCCc2cccnc21 | nan | ||
| 44242663 | 295239 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 399 | 7 | 2 | 4 | 4.7 | NCCCCN(Cc1nccc2c1[nH]c1ccccc12)C1CCCc2cccnc21 | nan | ||
| CHEMBL3938805 | 295239 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 399 | 7 | 2 | 4 | 4.7 | NCCCCN(Cc1nccc2c1[nH]c1ccccc12)C1CCCc2cccnc21 | nan | ||
| 135313899 | 314131 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 530 | 8 | 2 | 4 | 6.3 | FC1(F)CCC(NCc2ccc(CN(C[C@H]3Cc4ccccc4CN3)[C@H]3CCCc4cccnc43)cc2)CC1 | 10.1021/acs.jmedchem.7b01420 | ||
| CHEMBL4088588 | 314131 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 530 | 8 | 2 | 4 | 6.3 | FC1(F)CCC(NCc2ccc(CN(C[C@H]3Cc4ccccc4CN3)[C@H]3CCCc4cccnc43)cc2)CC1 | 10.1021/acs.jmedchem.7b01420 | ||
| 70924224 | 294355 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 413 | 7 | 2 | 4 | 4.3 | NC(=O)CCCN(Cc1nccc2c1[nH]c1ccccc12)[C@H]1CCCc2cccnc21 | nan | ||
| CHEMBL3931671 | 294355 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 413 | 7 | 2 | 4 | 4.3 | NC(=O)CCCN(Cc1nccc2c1[nH]c1ccccc12)[C@H]1CCCc2cccnc21 | nan | ||
| 145973345 | 327499 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 403 | 4 | 2 | 5 | 2.7 | CN(C[C@H]1Cc2c(cccc2N2C[C@@H]3C[C@H]2CN3)CN1)[C@H]1CCCc2cccnc21 | 10.1021/acs.jmedchem.8b00450 | ||
| CHEMBL4175596 | 327499 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 403 | 4 | 2 | 5 | 2.7 | CN(C[C@H]1Cc2c(cccc2N2C[C@@H]3C[C@H]2CN3)CN1)[C@H]1CCCc2cccnc21 | 10.1021/acs.jmedchem.8b00450 | ||
| 21985015 | 119698 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 440 | 7 | 3 | 5 | 3.6 | NCc1cc(C(N)=O)ccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 | 10.1016/j.bmcl.2010.11.023 | ||
| CHEMBL1644078 | 119698 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 440 | 7 | 3 | 5 | 3.6 | NCc1cc(C(N)=O)ccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 | 10.1016/j.bmcl.2010.11.023 | ||
| 59176504 | 290876 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 525 | 11 | 2 | 7 | 4.5 | NCCCCN(Cc1nccc2c3ccccc3n(CCCN3CCNCC3)c12)[C@H]1CCCc2cccnc21 | nan | ||
| CHEMBL3903672 | 290876 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 525 | 11 | 2 | 7 | 4.5 | NCCCCN(Cc1nccc2c3ccccc3n(CCCN3CCNCC3)c12)[C@H]1CCCc2cccnc21 | nan | ||
| 59176542 | 297669 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 485 | 10 | 1 | 7 | 4.8 | CCOC(=O)Cn1c2ccccc2c2ccnc(CN(CCCCN)[C@H]3CCCc4cccnc43)c21 | nan | ||
| CHEMBL3958465 | 297669 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 485 | 10 | 1 | 7 | 4.8 | CCOC(=O)Cn1c2ccccc2c2ccnc(CN(CCCCN)[C@H]3CCCc4cccnc43)c21 | nan | ||
| 137638242 | 312772 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 455 | 10 | 2 | 5 | 4.4 | c1cncc(CNCCCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)c1 | 10.1021/acs.jmedchem.7b01420 | ||
| CHEMBL4071612 | 312772 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 455 | 10 | 2 | 5 | 4.4 | c1cncc(CNCCCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)c1 | 10.1021/acs.jmedchem.7b01420 | ||
| 133081963 | 2270 | 0 | None | -1 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 446 | 8 | 2 | 5 | 3.8 | O1CCC(CC1)NC/C=C/CN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/acs.jmedchem.7b01420 | ||
| 9883 | 2270 | 0 | None | -1 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 446 | 8 | 2 | 5 | 3.8 | O1CCC(CC1)NC/C=C/CN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/acs.jmedchem.7b01420 | ||
| CHEMBL4075205 | 2270 | 0 | None | -1 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 446 | 8 | 2 | 5 | 3.8 | O1CCC(CC1)NC/C=C/CN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/acs.jmedchem.7b01420 | ||
| 145959814 | 317824 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 404 | 6 | 2 | 4 | 3.9 | c1ccc2c(c1)CN[C@@H](CN(CCC1CCNCC1)[C@H]1CCCc3cccnc31)C2 | 10.1021/acsmedchemlett.8b00030 | ||
| CHEMBL4164702 | 317824 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 404 | 6 | 2 | 4 | 3.9 | c1ccc2c(c1)CN[C@@H](CN(CCC1CCNCC1)[C@H]1CCCc3cccnc31)C2 | 10.1021/acsmedchemlett.8b00030 | ||
| 59176639 | 298327 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 544 | 9 | 1 | 6 | 5.8 | c1ccc(Cn2c3ccccc3c3ccnc(CN(CCCN4CCNCC4)[C@H]4CCCc5cccnc54)c32)cc1 | nan | ||
| CHEMBL3964188 | 298327 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 544 | 9 | 1 | 6 | 5.8 | c1ccc(Cn2c3ccccc3c3ccnc(CN(CCCN4CCNCC4)[C@H]4CCCc5cccnc54)c32)cc1 | nan | ||
| 145974080 | 328070 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 435 | 7 | 2 | 6 | 2.5 | COCCN(C[C@H]1Cc2c(cccc2N2CCNCC2)CN1)[C@H]1CCCc2cccnc21 | 10.1021/acs.jmedchem.8b00450 | ||
| CHEMBL4176403 | 328070 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 435 | 7 | 2 | 6 | 2.5 | COCCN(C[C@H]1Cc2c(cccc2N2CCNCC2)CN1)[C@H]1CCCc2cccnc21 | 10.1021/acs.jmedchem.8b00450 | ||
| 4410 | 6381 | 68 | None | -316 | 4 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/acs.jmedchem.3c01128 | ||
| 65015 | 6381 | 68 | None | -316 | 4 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/acs.jmedchem.3c01128 | ||
| 844 | 6381 | 68 | None | -316 | 4 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/acs.jmedchem.3c01128 | ||
| CHEMBL18442 | 6381 | 68 | None | -316 | 4 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/acs.jmedchem.3c01128 | ||
| DB06809 | 6381 | 68 | None | -316 | 4 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/acs.jmedchem.3c01128 | ||
| 137646125 | 313833 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 460 | 10 | 2 | 4 | 5.4 | c1ccc2c(c1)CN[C@@H](CN(CCCCNCC1CCCCC1)[C@H]1CCCc3cccnc31)C2 | 10.1021/acs.jmedchem.7b01420 | ||
| CHEMBL4084652 | 313833 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 460 | 10 | 2 | 4 | 5.4 | c1ccc2c(c1)CN[C@@H](CN(CCCCNCC1CCCCC1)[C@H]1CCCc3cccnc31)C2 | 10.1021/acs.jmedchem.7b01420 | ||
| 145949343 | 327491 | 0 | None | 371 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 404 | 6 | 2 | 4 | 3.9 | c1ccc2c(c1)CN[C@@H](CN(CC[C@H]1CCCNC1)[C@H]1CCCc3cccnc31)C2 | 10.1021/acsmedchemlett.8b00030 | ||
| CHEMBL4174290 | 327491 | 0 | None | 371 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 404 | 6 | 2 | 4 | 3.9 | c1ccc2c(c1)CN[C@@H](CN(CC[C@H]1CCCNC1)[C@H]1CCCc3cccnc31)C2 | 10.1021/acsmedchemlett.8b00030 | ||
| 59176504 | 290876 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 525 | 11 | 2 | 7 | 4.5 | NCCCCN(Cc1nccc2c3ccccc3n(CCCN3CCNCC3)c12)[C@H]1CCCc2cccnc21 | nan | ||
| CHEMBL3903672 | 290876 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 525 | 11 | 2 | 7 | 4.5 | NCCCCN(Cc1nccc2c3ccccc3n(CCCN3CCNCC3)c12)[C@H]1CCCc2cccnc21 | nan | ||
| 135314048 | 328091 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 405 | 4 | 2 | 5 | 2.8 | Cc1cnc2c(c1)CCC[C@@H]2N(C)C[C@H]1Cc2c(cccc2N2CCNCC2)CN1 | 10.1021/acs.jmedchem.8b00450 | ||
| CHEMBL4176701 | 328091 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 405 | 4 | 2 | 5 | 2.8 | Cc1cnc2c(c1)CCC[C@@H]2N(C)C[C@H]1Cc2c(cccc2N2CCNCC2)CN1 | 10.1021/acs.jmedchem.8b00450 | ||
| 145950510 | 318243 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 433 | 5 | 1 | 5 | 3.6 | CC(C)N1CCN(c2cccc3c2C[C@H](CN(C)[C@H]2CCCc4cccnc42)NC3)CC1 | 10.1021/acs.jmedchem.8b00450 | ||
| CHEMBL4171755 | 318243 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 433 | 5 | 1 | 5 | 3.6 | CC(C)N1CCN(c2cccc3c2C[C@H](CN(C)[C@H]2CCCc4cccnc42)NC3)CC1 | 10.1021/acs.jmedchem.8b00450 | ||
| 10172242 | 22182 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 347 | 6 | 2 | 4 | 3.4 | NC/C=C/CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 | 10.1021/jm100073m | ||
| CHEMBL1089845 | 22182 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 347 | 6 | 2 | 4 | 3.4 | NC/C=C/CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 | 10.1021/jm100073m | ||
| 21985119 | 119703 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 398 | 6 | 2 | 5 | 3.9 | NCc1ccncc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 | 10.1016/j.bmcl.2010.11.023 | ||
| CHEMBL1644083 | 119703 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 398 | 6 | 2 | 5 | 3.9 | NCc1ccncc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 | 10.1016/j.bmcl.2010.11.023 | ||
| 145958528 | 317750 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 404 | 6 | 2 | 4 | 3.9 | c1ccc2c(c1)CN[C@@H](CN(CC[C@@H]1CCCNC1)[C@H]1CCCc3cccnc31)C2 | 10.1021/acsmedchemlett.8b00030 | ||
| CHEMBL4163611 | 317750 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 404 | 6 | 2 | 4 | 3.9 | c1ccc2c(c1)CN[C@@H](CN(CC[C@@H]1CCCNC1)[C@H]1CCCc3cccnc31)C2 | 10.1021/acsmedchemlett.8b00030 | ||
| 53326307 | 121175 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 354 | 9 | 1 | 5 | 3.2 | COCc1cccc(CN(CCCCN)C2CCCc3cccnc32)n1 | 10.1016/j.bmcl.2011.01.021 | ||
| CHEMBL1682861 | 121175 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 354 | 9 | 1 | 5 | 3.2 | COCc1cccc(CN(CCCCN)C2CCCc3cccnc32)n1 | 10.1016/j.bmcl.2011.01.021 | ||
| 135313955 | 317898 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 364 | 9 | 2 | 4 | 3.2 | NCCCCN(Cc1ncccc1C1CC1)C[C@H]1Cc2ccccc2CN1 | 10.1021/acsmedchemlett.7b00381 | ||
| CHEMBL4165906 | 317898 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 364 | 9 | 2 | 4 | 3.2 | NCCCCN(Cc1ncccc1C1CC1)C[C@H]1Cc2ccccc2CN1 | 10.1021/acsmedchemlett.7b00381 | ||
| 59176526 | 290556 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 543 | 8 | 0 | 6 | 6.2 | CCN(Cc1nccc2c3ccccc3n(CCCN3C(=O)c4ccccc4C3=O)c12)[C@H]1CCCc2cccnc21 | nan | ||
| CHEMBL3901111 | 290556 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 543 | 8 | 0 | 6 | 6.2 | CCN(Cc1nccc2c3ccccc3n(CCCN3C(=O)c4ccccc4C3=O)c12)[C@H]1CCCc2cccnc21 | nan | ||
| 44242735 | 295906 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 467 | 8 | 3 | 6 | 4.3 | c1cnc2c(c1)CCCC2N(CCCCNC1=NCCN1)Cc1nccc2c1[nH]c1ccccc12 | nan | ||
| CHEMBL3944213 | 295906 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 467 | 8 | 3 | 6 | 4.3 | c1cnc2c(c1)CCCC2N(CCCCNC1=NCCN1)Cc1nccc2c1[nH]c1ccccc12 | nan | ||
| 146398749 | 367923 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 405 | 5 | 3 | 5 | 3.3 | CN(C[C@@H]1Cc2c(cccc2NC2CCNCC2)CN1)[C@H]1CCCc2cccnc21 | 10.1021/acsmedchemlett.1c00449 | ||
| CHEMBL4849088 | 367923 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 405 | 5 | 3 | 5 | 3.3 | CN(C[C@@H]1Cc2c(cccc2NC2CCNCC2)CN1)[C@H]1CCCc2cccnc21 | 10.1021/acsmedchemlett.1c00449 | ||
| 137654290 | 314667 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 510 | 9 | 2 | 4 | 6.1 | CC(C)(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21)CNC1CCC(F)(F)CC1 | 10.1021/acs.jmedchem.7b01420 | ||
| CHEMBL4094400 | 314667 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 510 | 9 | 2 | 4 | 6.1 | CC(C)(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21)CNC1CCC(F)(F)CC1 | 10.1021/acs.jmedchem.7b01420 | ||
| 137658901 | 315278 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 496 | 10 | 2 | 4 | 5.7 | FC1(F)CCC(CNCCCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 | 10.1021/acs.jmedchem.7b01420 | ||
| CHEMBL4101106 | 315278 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 496 | 10 | 2 | 4 | 5.7 | FC1(F)CCC(CNCCCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 | 10.1021/acs.jmedchem.7b01420 | ||
| 70924220 | 290608 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 427 | 9 | 2 | 4 | 5.4 | CCNCCCCN(Cc1nccc2c1[nH]c1ccccc12)C1CCCc2cccnc21 | nan | ||
| CHEMBL3901600 | 290608 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 427 | 9 | 2 | 4 | 5.4 | CCNCCCCN(Cc1nccc2c1[nH]c1ccccc12)C1CCCc2cccnc21 | nan | ||
| 145952721 | 317962 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 419 | 7 | 2 | 5 | 2.8 | c1ccc2c(c1)CN[C@@H](CN(CCCN1CCNCC1)[C@H]1CCCc3cccnc31)C2 | 10.1021/acsmedchemlett.8b00030 | ||
| CHEMBL4167058 | 317962 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 419 | 7 | 2 | 5 | 2.8 | c1ccc2c(c1)CN[C@@H](CN(CCCN1CCNCC1)[C@H]1CCCc3cccnc31)C2 | 10.1021/acsmedchemlett.8b00030 | ||
| 145949486 | 327864 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 415 | 7 | 1 | 5 | 3.8 | c1cnc2c(c1)CCC[C@@H]2N(CCCN1CCNCC1)Cc1cc2ccccc2cn1 | 10.1021/acsmedchemlett.8b00030 | ||
| CHEMBL4172802 | 327864 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 415 | 7 | 1 | 5 | 3.8 | c1cnc2c(c1)CCC[C@@H]2N(CCCN1CCNCC1)Cc1cc2ccccc2cn1 | 10.1021/acsmedchemlett.8b00030 | ||
| 137639251 | 312697 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 510 | 10 | 2 | 6 | 3.7 | O=S1(=O)CCC(CNCCCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 | 10.1021/acs.jmedchem.7b01420 | ||
| CHEMBL4070843 | 312697 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 510 | 10 | 2 | 6 | 3.7 | O=S1(=O)CCC(CNCCCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 | 10.1021/acs.jmedchem.7b01420 | ||
| 59176416 | 299320 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 456 | 9 | 2 | 6 | 3.7 | NCCCCN(Cc1nccc2c3ccccc3n(CC(N)=O)c12)[C@H]1CCCc2cccnc21 | nan | ||
| CHEMBL3972873 | 299320 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 456 | 9 | 2 | 6 | 3.7 | NCCCCN(Cc1nccc2c3ccccc3n(CC(N)=O)c12)[C@H]1CCCc2cccnc21 | nan | ||
| 145954878 | 318142 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 468 | 5 | 1 | 6 | 3.8 | CN(C[C@H]1Cc2c(cccc2N2CCN(c3ccccn3)CC2)CN1)[C@H]1CCCc2cccnc21 | 10.1021/acs.jmedchem.8b00450 | ||
| CHEMBL4169875 | 318142 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 468 | 5 | 1 | 6 | 3.8 | CN(C[C@H]1Cc2c(cccc2N2CCN(c3ccccn3)CC2)CN1)[C@H]1CCCc2cccnc21 | 10.1021/acs.jmedchem.8b00450 | ||
| 142416740 | 328124 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 419 | 4 | 0 | 5 | 3.2 | CN1CCN(c2cccc3c2C[C@H](CN(C)[C@H]2CCCc4cccnc42)N(C)C3)CC1 | 10.1021/acs.jmedchem.8b00450 | ||
| CHEMBL4177338 | 328124 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 419 | 4 | 0 | 5 | 3.2 | CN1CCN(c2cccc3c2C[C@H](CN(C)[C@H]2CCCc4cccnc42)N(C)C3)CC1 | 10.1021/acs.jmedchem.8b00450 | ||
| 145952601 | 327497 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 420 | 7 | 2 | 6 | 2.2 | c1cnc2c(c1)CN[C@@H](CN(CCCN1CCNCC1)[C@H]1CCCc3cccnc31)C2 | 10.1021/acsmedchemlett.8b00030 | ||
| CHEMBL4175350 | 327497 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 420 | 7 | 2 | 6 | 2.2 | c1cnc2c(c1)CN[C@@H](CN(CCCN1CCNCC1)[C@H]1CCCc3cccnc31)C2 | 10.1021/acsmedchemlett.8b00030 | ||
| 135314132 | 317542 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 352 | 8 | 2 | 4 | 3.2 | Cc1ccc([C@H](C)N(CCCCN)C[C@H]2Cc3ccccc3CN2)nc1 | 10.1021/acsmedchemlett.7b00381 | ||
| CHEMBL4160208 | 317542 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 352 | 8 | 2 | 4 | 3.2 | Cc1ccc([C@H](C)N(CCCCN)C[C@H]2Cc3ccccc3CN2)nc1 | 10.1021/acsmedchemlett.7b00381 | ||
| 177659087 | 392800 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 1003 | 19 | 16 | 12 | -2.9 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CCCCNC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116669 | ||
| CHEMBL5613373 | 392800 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 1003 | 19 | 16 | 12 | -2.9 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CCCCNC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116669 | ||
| 172455998 | 388767 | 0 | None | None | None | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 1499 | 47 | 23 | 19 | -3.5 | CC[C@@H](C)[C@@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | ||
| CHEMBL5423900 | 388767 | 0 | None | None | None | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 1499 | 47 | 23 | 19 | -3.5 | CC[C@@H](C)[C@@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | ||
| 70924231 | 295539 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 441 | 8 | 2 | 4 | 4.9 | CC(=O)NCCCCN(Cc1nccc2c1[nH]c1ccccc12)C1CCCc2cccnc21 | nan | ||
| CHEMBL3941363 | 295539 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 441 | 8 | 2 | 4 | 4.9 | CC(=O)NCCCCN(Cc1nccc2c1[nH]c1ccccc12)C1CCCc2cccnc21 | nan | ||
| 25178140 | 350702 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 364 | 4 | 1 | 5 | 4.2 | C1=C(CS/C(=N\C2CCCCC2)NC2CCCC2)N2CCN=C2S1 | 10.1021/jm801065q | ||
| CHEMBL460299 | 350702 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 364 | 4 | 1 | 5 | 4.2 | C1=C(CS/C(=N\C2CCCCC2)NC2CCCC2)N2CCN=C2S1 | 10.1021/jm801065q | ||
| 59176597 | 294697 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 545 | 9 | 1 | 7 | 5.2 | c1ccc(Cn2c3ccccc3c3ccnc(CN(CCCN4CCNCC4)[C@H]4CCCc5cccnc54)c32)nc1 | nan | ||
| CHEMBL3934356 | 294697 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 545 | 9 | 1 | 7 | 5.2 | c1ccc(Cn2c3ccccc3c3ccnc(CN(CCCN4CCNCC4)[C@H]4CCCc5cccnc54)c32)nc1 | nan | ||
| 4410 | 6381 | 68 | None | -316 | 4 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2018.02.042 | ||
| 65015 | 6381 | 68 | None | -316 | 4 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2018.02.042 | ||
| 844 | 6381 | 68 | None | -316 | 4 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2018.02.042 | ||
| CHEMBL18442 | 6381 | 68 | None | -316 | 4 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2018.02.042 | ||
| DB06809 | 6381 | 68 | None | -316 | 4 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2018.02.042 | ||
| 53322384 | 121168 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 324 | 7 | 1 | 4 | 3.4 | Cc1cccnc1CN(CCCCN)C1CCCc2cccnc21 | 10.1016/j.bmcl.2011.01.021 | ||
| CHEMBL1682854 | 121168 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 324 | 7 | 1 | 4 | 3.4 | Cc1cccnc1CN(CCCCN)C1CCCc2cccnc21 | 10.1016/j.bmcl.2011.01.021 | ||
| 53322799 | 121220 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 340 | 8 | 1 | 4 | 4.1 | CC(c1ccccn1)N(CCCCN)Cc1ncccc1C(C)(C)C | 10.1016/j.bmcl.2011.01.021 | ||
| CHEMBL1682989 | 121220 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 340 | 8 | 1 | 4 | 4.1 | CC(c1ccccn1)N(CCCCN)Cc1ncccc1C(C)(C)C | 10.1016/j.bmcl.2011.01.021 | ||
| 122192923 | 251955 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 451 | 9 | 2 | 6 | 3.1 | NCCCCN(C[C@H]1CN(C(=O)OCc2ccccc2)CCN1)[C@H]1CCCc2cccnc21 | 10.1016/j.bmcl.2015.04.036 | ||
| CHEMBL3627799 | 251955 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 451 | 9 | 2 | 6 | 3.1 | NCCCCN(C[C@H]1CN(C(=O)OCc2ccccc2)CCN1)[C@H]1CCCc2cccnc21 | 10.1016/j.bmcl.2015.04.036 | ||
| 70923321 | 279964 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 454 | 7 | 2 | 5 | 4.3 | c1cnc2c(c1)CCCC2N(CCCN1CCNCC1)Cc1nccc2c1[nH]c1ccccc12 | nan | ||
| CHEMBL3893005 | 279964 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 454 | 7 | 2 | 5 | 4.3 | c1cnc2c(c1)CCCC2N(CCCN1CCNCC1)Cc1nccc2c1[nH]c1ccccc12 | nan | ||
| 59176416 | 299320 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 456 | 9 | 2 | 6 | 3.7 | NCCCCN(Cc1nccc2c3ccccc3n(CC(N)=O)c12)[C@H]1CCCc2cccnc21 | nan | ||
| CHEMBL3972873 | 299320 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 456 | 9 | 2 | 6 | 3.7 | NCCCCN(Cc1nccc2c3ccccc3n(CC(N)=O)c12)[C@H]1CCCc2cccnc21 | nan | ||
| 146398747 | 369576 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 405 | 5 | 3 | 5 | 3.3 | CN(C[C@H]1Cc2c(cccc2NC2CCNCC2)CN1)[C@H]1CCCc2cccnc21 | 10.1021/acsmedchemlett.1c00449 | ||
| CHEMBL4874526 | 369576 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 405 | 5 | 3 | 5 | 3.3 | CN(C[C@H]1Cc2c(cccc2NC2CCNCC2)CN1)[C@H]1CCCc2cccnc21 | 10.1021/acsmedchemlett.1c00449 | ||
| 146398328 | 368786 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 431 | 4 | 1 | 5 | 3.2 | CN(C[C@H]1Cc2c(cccc2N2C[C@H]3CCN(C)[C@H]3C2)CN1)[C@H]1CCCc2cccnc21 | 10.1021/acsmedchemlett.1c00449 | ||
| CHEMBL4862362 | 368786 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 431 | 4 | 1 | 5 | 3.2 | CN(C[C@H]1Cc2c(cccc2N2C[C@H]3CCN(C)[C@H]3C2)CN1)[C@H]1CCCc2cccnc21 | 10.1021/acsmedchemlett.1c00449 | ||
| 76309931 | 213553 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 435 | 8 | 2 | 4 | 3.5 | CN(C)C(=O)NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 | 10.1021/ml400183q | ||
| CHEMBL3091686 | 213553 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 435 | 8 | 2 | 4 | 3.5 | CN(C)C(=O)NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 | 10.1021/ml400183q | ||
| 142416884 | 317645 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 390 | 4 | 2 | 4 | 3.7 | N[C@H]1CC[C@@H](N(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 | 10.1021/acsmedchemlett.7b00406 | ||
| CHEMBL4161850 | 317645 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 390 | 4 | 2 | 4 | 3.7 | N[C@H]1CC[C@@H](N(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 | 10.1021/acsmedchemlett.7b00406 | ||
| 142416914 | 318111 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 394 | 6 | 2 | 4 | 3.7 | C/C(CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21)=C(/F)CN | 10.1021/acsmedchemlett.7b00406 | ||
| CHEMBL4169450 | 318111 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 394 | 6 | 2 | 4 | 3.7 | C/C(CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21)=C(/F)CN | 10.1021/acsmedchemlett.7b00406 | ||
| 70924214 | 296858 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 454 | 5 | 2 | 5 | 3.4 | O=C(CN(Cc1nccc2c1[nH]c1ccccc12)[C@H]1CCCc2cccnc21)N1CCNCC1 | nan | ||
| CHEMBL3951883 | 296858 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 454 | 5 | 2 | 5 | 3.4 | O=C(CN(Cc1nccc2c1[nH]c1ccccc12)[C@H]1CCCc2cccnc21)N1CCNCC1 | nan | ||
| 25177630 | 121222 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 298 | 8 | 1 | 4 | 3.1 | Cc1cccc(CN(CCCCN)C(C)c2ccccn2)n1 | 10.1016/j.bmcl.2011.01.021 | ||
| CHEMBL1682991 | 121222 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 298 | 8 | 1 | 4 | 3.1 | Cc1cccc(CN(CCCCN)C(C)c2ccccn2)n1 | 10.1016/j.bmcl.2011.01.021 | ||
| 135314469 | 311725 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 510 | 9 | 2 | 5 | 5.2 | c1ccc2c(c1)CN[C@@H](CN(Cc1ccc(CNCC3CCOCC3)cc1)[C@H]1CCCc3cccnc31)C2 | 10.1021/acs.jmedchem.7b01420 | ||
| CHEMBL4059622 | 311725 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 510 | 9 | 2 | 5 | 5.2 | c1ccc2c(c1)CN[C@@H](CN(Cc1ccc(CNCC3CCOCC3)cc1)[C@H]1CCCc3cccnc31)C2 | 10.1021/acs.jmedchem.7b01420 | ||
| 135313764 | 318288 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 358 | 8 | 2 | 4 | 3.0 | NCCCCN(Cc1ncccc1Cl)C[C@H]1Cc2ccccc2CN1 | 10.1021/acsmedchemlett.7b00381 | ||
| CHEMBL4172443 | 318288 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 358 | 8 | 2 | 4 | 3.0 | NCCCCN(Cc1ncccc1Cl)C[C@H]1Cc2ccccc2CN1 | 10.1021/acsmedchemlett.7b00381 | ||
| 177658046 | 392713 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 960 | 19 | 16 | 12 | -4.1 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CNC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116669 | ||
| 177661154 | 392713 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 960 | 19 | 16 | 12 | -4.1 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CNC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116669 | ||
| CHEMBL5612305 | 392713 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 960 | 19 | 16 | 12 | -4.1 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CNC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116669 | ||
| CHEMBL5612901 | 392713 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 960 | 19 | 16 | 12 | -4.1 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CNC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116669 | ||
| 57345320 | 8342 | 12 | None | 34 | 7 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/ml400183q | ||
| 9882 | 8342 | 12 | None | 34 | 7 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/ml400183q | ||
| CHEMBL3091687 | 8342 | 12 | None | 34 | 7 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/ml400183q | ||
| 53321039 | 121173 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 338 | 7 | 1 | 4 | 3.7 | Cc1cnc(CN(CCCCN)C2CCCc3cccnc32)c(C)c1 | 10.1016/j.bmcl.2011.01.021 | ||
| CHEMBL1682859 | 121173 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 338 | 7 | 1 | 4 | 3.7 | Cc1cnc(CN(CCCCN)C2CCCc3cccnc32)c(C)c1 | 10.1016/j.bmcl.2011.01.021 | ||
| CHEMBL2372985 | 485921 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 2051 | 46 | 31 | 27 | -7.9 | NCCCC[C@H]1NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=O)NC1=O | 10.1016/s0960-894x(01)00323-7 | ||
| 163408878 | 386672 | 6 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 414 | 14 | 4 | 4 | 4.5 | c1cc(CNCCCNC2CCCCC2)ccc1CNCCCNC1CCCCC1 | 10.1016/j.ejmech.2024.116594 | ||
| CHEMBL5283078 | 386672 | 6 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 414 | 14 | 4 | 4 | 4.5 | c1cc(CNCCCNC2CCCCC2)ccc1CNCCCNC1CCCCC1 | 10.1016/j.ejmech.2024.116594 | ||
| 10286987 | 22555 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 363 | 8 | 2 | 4 | 3.8 | CNCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 | 10.1021/jm100073m | ||
| CHEMBL1092302 | 22555 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 363 | 8 | 2 | 4 | 3.8 | CNCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 | 10.1021/jm100073m | ||
| 57345321 | 251951 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 407 | 9 | 2 | 5 | 3.0 | NCCCCN(C[C@@H]1CN(Cc2ccccc2)CCN1)[C@H]1CCCc2cccnc21 | 10.1016/j.bmcl.2015.04.036 | ||
| CHEMBL3627792 | 251951 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 407 | 9 | 2 | 5 | 3.0 | NCCCCN(C[C@@H]1CN(Cc2ccccc2)CCN1)[C@H]1CCCc2cccnc21 | 10.1016/j.bmcl.2015.04.036 | ||
| 145951410 | 327879 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 387 | 6 | 1 | 9 | 3.5 | CSc1nnc(-c2ccc(COC(=O)Nc3ccc([N+](=O)[O-])cc3)nc2)o1 | 10.1016/j.ejmech.2017.08.027 | ||
| CHEMBL4173028 | 327879 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 387 | 6 | 1 | 9 | 3.5 | CSc1nnc(-c2ccc(COC(=O)Nc3ccc([N+](=O)[O-])cc3)nc2)o1 | 10.1016/j.ejmech.2017.08.027 | ||
| 145948147 | 332511 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 236 | 3 | 1 | 6 | 1.6 | CSc1nnc(-c2ccc(CN)nc2C)o1 | 10.1016/j.ejmech.2017.08.027 | ||
| CHEMBL4302859 | 332511 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 236 | 3 | 1 | 6 | 1.6 | CSc1nnc(-c2ccc(CN)nc2C)o1 | 10.1016/j.ejmech.2017.08.027 | ||
| 70924193 | 298732 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 538 | 7 | 1 | 5 | 5.6 | CC(C)(C)C(=O)N1CCN(CCCN(Cc2nccc3c2[nH]c2ccccc23)C2CCCc3cccnc32)CC1 | nan | ||
| CHEMBL3967679 | 298732 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 538 | 7 | 1 | 5 | 5.6 | CC(C)(C)C(=O)N1CCN(CCCN(Cc2nccc3c2[nH]c2ccccc23)C2CCCc3cccnc32)CC1 | nan | ||
| 145949907 | 327872 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 421 | 6 | 3 | 6 | 1.9 | OCCN(C[C@H]1Cc2c(cccc2N2CCNCC2)CN1)[C@H]1CCCc2cccnc21 | 10.1021/acs.jmedchem.8b00450 | ||
| CHEMBL4172898 | 327872 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 421 | 6 | 3 | 6 | 1.9 | OCCN(C[C@H]1Cc2c(cccc2N2CCNCC2)CN1)[C@H]1CCCc2cccnc21 | 10.1021/acs.jmedchem.8b00450 | ||
| 70924201 | 297028 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 468 | 8 | 2 | 5 | 4.7 | c1cnc2c(c1)CCCC2N(CCCCN1CCNCC1)Cc1nccc2c1[nH]c1ccccc12 | nan | ||
| CHEMBL3953260 | 297028 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 468 | 8 | 2 | 5 | 4.7 | c1cnc2c(c1)CCCC2N(CCCCN1CCNCC1)Cc1nccc2c1[nH]c1ccccc12 | nan | ||
| 44241788 | 297650 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 359 | 8 | 2 | 4 | 3.9 | NCCCCN(Cc1ccccn1)Cc1nccc2c1[nH]c1ccccc12 | nan | ||
| CHEMBL3958373 | 297650 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 359 | 8 | 2 | 4 | 3.9 | NCCCCN(Cc1ccccn1)Cc1nccc2c1[nH]c1ccccc12 | nan | ||
| 155539331 | 346965 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 328 | 6 | 1 | 2 | 4.3 | Clc1ccccc1CN1CCC(CNCc2ccccc2)CC1 | 10.1016/j.ejmech.2018.10.060 | ||
| CHEMBL4514484 | 346965 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 328 | 6 | 1 | 2 | 4.3 | Clc1ccccc1CN1CCC(CNCc2ccccc2)CC1 | 10.1016/j.ejmech.2018.10.060 | ||
| 57343753 | 251952 | 0 | None | None | None | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 421 | 8 | 2 | 5 | 2.6 | NCCCCN(C[C@H]1CN(C(=O)c2ccccc2)CCN1)[C@H]1CCCc2cccnc21 | 10.1016/j.bmcl.2015.04.036 | ||
| CHEMBL3627793 | 251952 | 0 | None | None | None | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 421 | 8 | 2 | 5 | 2.6 | NCCCCN(C[C@H]1CN(C(=O)c2ccccc2)CCN1)[C@H]1CCCc2cccnc21 | 10.1016/j.bmcl.2015.04.036 | ||
| 122192964 | 251957 | 0 | None | None | None | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 457 | 9 | 2 | 6 | 2.2 | NCCCCN(C[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1)[C@H]1CCCc2cccnc21 | 10.1016/j.bmcl.2015.04.036 | ||
| CHEMBL3627858 | 251957 | 0 | None | None | None | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 457 | 9 | 2 | 6 | 2.2 | NCCCCN(C[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1)[C@H]1CCCc2cccnc21 | 10.1016/j.bmcl.2015.04.036 | ||
| 122192968 | 251961 | 0 | None | None | None | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 491 | 9 | 2 | 6 | 2.8 | NCCCCN(C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)CCN1)[C@H]1CCCc2cccnc21 | 10.1016/j.bmcl.2015.04.036 | ||
| CHEMBL3627862 | 251961 | 0 | None | None | None | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 491 | 9 | 2 | 6 | 2.8 | NCCCCN(C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)CCN1)[C@H]1CCCc2cccnc21 | 10.1016/j.bmcl.2015.04.036 | ||
| 25178353 | 373973 | 0 | None | None | None | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 434 | 4 | 1 | 5 | 6.1 | CC1(C)CN2C(CS/C(=N\C3CCCCCC3)NC3CCCCCC3)=CSC2=N1 | 10.1021/jm801065q | ||
| CHEMBL518501 | 373973 | 0 | None | None | None | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 434 | 4 | 1 | 5 | 6.1 | CC1(C)CN2C(CS/C(=N\C3CCCCCC3)NC3CCCCCC3)=CSC2=N1 | 10.1021/jm801065q | ||
| 11718722 | 40540 | 12 | None | 1 | 4 | Mouse | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 420 | 5 | 1 | 7 | 2.5 | CN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)c(CO)n23)CC1 | 10.1128/aac.01293-09 | ||
| CHEMBL1242210 | 40540 | 12 | None | 1 | 4 | Mouse | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 420 | 5 | 1 | 7 | 2.5 | CN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)c(CO)n23)CC1 | 10.1128/aac.01293-09 | ||
| 134816893 | 332286 | 0 | None | None | None | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 352 | 4 | 0 | 6 | 2.1 | CN1CCN(c2cc(CN(C)C3CCCc4cccnc43)ncn2)CC1 | 10.1016/j.ejmech.2018.02.042 | ||
| CHEMBL4299893 | 332286 | 0 | None | None | None | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 352 | 4 | 0 | 6 | 2.1 | CN1CCN(c2cc(CN(C)C3CCCc4cccnc43)ncn2)CC1 | 10.1016/j.ejmech.2018.02.042 | ||
| 11718722 | 40540 | 12 | None | -1 | 4 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 420 | 5 | 1 | 7 | 2.5 | CN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)c(CO)n23)CC1 | 10.1128/aac.01293-09 | ||
| CHEMBL1242210 | 40540 | 12 | None | -1 | 4 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 420 | 5 | 1 | 7 | 2.5 | CN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)c(CO)n23)CC1 | 10.1128/aac.01293-09 | ||
| 138501462 | 356098 | 0 | None | None | None | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 352 | 4 | 0 | 6 | 2.3 | Cc1nc(CN2CCC[C@H]2c2ccccn2)cc(N2CCN(C)CC2)n1 | 10.1016/j.ejmech.2020.112537 | ||
| CHEMBL4783831 | 356098 | 0 | None | None | None | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 352 | 4 | 0 | 6 | 2.3 | Cc1nc(CN2CCC[C@H]2c2ccccn2)cc(N2CCN(C)CC2)n1 | 10.1016/j.ejmech.2020.112537 | ||
| 138501427 | 366067 | 0 | None | None | None | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 396 | 7 | 1 | 7 | 2.6 | Cc1nc(CN2CCC[C@H]2c2ncccc2C)cc(NCCN2CCOCC2)n1 | 10.1016/j.ejmech.2020.112537 | ||
| CHEMBL4789233 | 366067 | 0 | None | None | None | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 396 | 7 | 1 | 7 | 2.6 | Cc1nc(CN2CCC[C@H]2c2ncccc2C)cc(NCCN2CCOCC2)n1 | 10.1016/j.ejmech.2020.112537 | ||
| 145951236 | 327488 | 0 | None | None | None | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 431 | 4 | 1 | 5 | 3.4 | CN(C[C@H]1Cc2c(cccc2N2CCN3CCC[C@H]3C2)CN1)[C@H]1CCCc2cccnc21 | 10.1021/acs.jmedchem.8b00450 | ||
| CHEMBL4173977 | 327488 | 0 | None | None | None | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 431 | 4 | 1 | 5 | 3.4 | CN(C[C@H]1Cc2c(cccc2N2CCN3CCC[C@H]3C2)CN1)[C@H]1CCCc2cccnc21 | 10.1021/acs.jmedchem.8b00450 | ||
| 25177631 | 121223 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 312 | 8 | 1 | 4 | 3.4 | Cc1cnc(CN(CCCCN)C(C)c2ccccn2)c(C)c1 | 10.1016/j.bmcl.2011.01.021 | ||
| CHEMBL1682992 | 121223 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 312 | 8 | 1 | 4 | 3.4 | Cc1cnc(CN(CCCCN)C(C)c2ccccn2)c(C)c1 | 10.1016/j.bmcl.2011.01.021 | ||
| 59176569 | 290867 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 457 | 10 | 1 | 6 | 4.8 | COCCn1c2ccccc2c2ccnc(CN(CCCCN)[C@H]3CCCc4cccnc43)c21 | nan | ||
| CHEMBL3903597 | 290867 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 457 | 10 | 1 | 6 | 4.8 | COCCn1c2ccccc2c2ccnc(CN(CCCCN)[C@H]3CCCc4cccnc43)c21 | nan | ||
| 59176436 | 296691 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 539 | 11 | 2 | 7 | 4.0 | NCCCCN(Cc1nccc2c3ccccc3n(CCCN3CCNCC3=O)c12)[C@H]1CCCc2cccnc21 | nan | ||
| CHEMBL3950388 | 296691 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 539 | 11 | 2 | 7 | 4.0 | NCCCCN(Cc1nccc2c3ccccc3n(CCCN3CCNCC3=O)c12)[C@H]1CCCc2cccnc21 | nan | ||
| 137637838 | 312016 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 454 | 10 | 2 | 4 | 5.0 | c1ccc(CNCCCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)cc1 | 10.1021/acs.jmedchem.7b01420 | ||
| CHEMBL4062981 | 312016 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 454 | 10 | 2 | 4 | 5.0 | c1ccc(CNCCCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)cc1 | 10.1021/acs.jmedchem.7b01420 | ||
| 145960247 | 317734 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 403 | 4 | 2 | 5 | 2.7 | CN(C[C@H]1Cc2c(cccc2N2C[C@H]3C[C@@H]2CN3)CN1)[C@H]1CCCc2cccnc21 | 10.1021/acs.jmedchem.8b00450 | ||
| CHEMBL4163467 | 317734 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 403 | 4 | 2 | 5 | 2.7 | CN(C[C@H]1Cc2c(cccc2N2C[C@H]3C[C@@H]2CN3)CN1)[C@H]1CCCc2cccnc21 | 10.1021/acs.jmedchem.8b00450 | ||
| 71590315 | 328913 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 380 | 4 | 3 | 3 | 4.0 | FC(F)(F)c1ccc(NC(=S)NCCc2ccc3c(n2)NCCC3)cc1 | 10.1016/j.ejmech.2018.02.043 | ||
| CHEMBL4207733 | 328913 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 380 | 4 | 3 | 3 | 4.0 | FC(F)(F)c1ccc(NC(=S)NCCc2ccc3c(n2)NCCC3)cc1 | 10.1016/j.ejmech.2018.02.043 | ||
| 177660981 | 392873 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 974 | 19 | 16 | 12 | -3.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CCNC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116669 | ||
| CHEMBL5614292 | 392873 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 974 | 19 | 16 | 12 | -3.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CCNC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116669 | ||
| 70924240 | 292162 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 468 | 7 | 1 | 5 | 4.6 | CN1CCN(CCCN(Cc2nccc3c2[nH]c2ccccc23)[C@H]2CCCc3cccnc32)CC1 | nan | ||
| CHEMBL3914182 | 292162 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 468 | 7 | 1 | 5 | 4.6 | CN1CCN(CCCN(Cc2nccc3c2[nH]c2ccccc23)[C@H]2CCCc3cccnc32)CC1 | nan | ||
| 135313758 | 327870 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 338 | 8 | 2 | 4 | 2.6 | Cc1cccnc1CN(CCCCN)C[C@H]1Cc2ccccc2CN1 | 10.1021/acsmedchemlett.7b00381 | ||
| CHEMBL4172866 | 327870 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 338 | 8 | 2 | 4 | 2.6 | Cc1cccnc1CN(CCCCN)C[C@H]1Cc2ccccc2CN1 | 10.1021/acsmedchemlett.7b00381 | ||
| 21985109 | 119695 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 441 | 8 | 2 | 5 | 4.6 | COCc1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)c(CN)c1 | 10.1016/j.bmcl.2010.11.023 | ||
| CHEMBL1644075 | 119695 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 441 | 8 | 2 | 5 | 4.6 | COCc1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)c(CN)c1 | 10.1016/j.bmcl.2010.11.023 | ||
| 53321859 | 119706 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 387 | 6 | 2 | 5 | 4.1 | NCc1occc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 | 10.1016/j.bmcl.2010.11.023 | ||
| CHEMBL1644089 | 119706 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 387 | 6 | 2 | 5 | 4.1 | NCc1occc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 | 10.1016/j.bmcl.2010.11.023 | ||
| 53323183 | 119708 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 398 | 6 | 2 | 5 | 3.9 | NCc1ncccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 | 10.1016/j.bmcl.2010.11.023 | ||
| CHEMBL1644094 | 119708 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 398 | 6 | 2 | 5 | 3.9 | NCc1ncccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 | 10.1016/j.bmcl.2010.11.023 | ||
| 59176357 | 294809 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 456 | 10 | 2 | 6 | 4.6 | NCCCCN(Cc1nccc2c3ccccc3n(CCCN)c12)[C@H]1CCCc2cccnc21 | nan | ||
| CHEMBL3935318 | 294809 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 456 | 10 | 2 | 6 | 4.6 | NCCCCN(Cc1nccc2c3ccccc3n(CCCN)c12)[C@H]1CCCc2cccnc21 | nan | ||
| 59176456 | 298080 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 540 | 10 | 2 | 7 | 4.5 | NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)NC3CCOCC3)c12)[C@H]1CCCc2cccnc21 | nan | ||
| CHEMBL3961860 | 298080 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 540 | 10 | 2 | 7 | 4.5 | NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)NC3CCOCC3)c12)[C@H]1CCCc2cccnc21 | nan | ||
| 135314108 | 317630 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 379 | 5 | 2 | 5 | 2.3 | Cc1cnc(CN(C)C[C@H]2Cc3c(cccc3N3CCNCC3)CN2)c(C)c1 | 10.1021/acs.jmedchem.8b00450 | ||
| CHEMBL4161589 | 317630 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 379 | 5 | 2 | 5 | 2.3 | Cc1cnc(CN(C)C[C@H]2Cc3c(cccc3N3CCNCC3)CN2)c(C)c1 | 10.1021/acs.jmedchem.8b00450 | ||
| 145959135 | 317552 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 405 | 7 | 3 | 4 | 2.7 | NC(=O)NC/C=C\CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 | 10.1021/acsmedchemlett.7b00406 | ||
| CHEMBL4160401 | 317552 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 405 | 7 | 3 | 4 | 2.7 | NC(=O)NC/C=C\CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 | 10.1021/acsmedchemlett.7b00406 | ||
| 122192969 | 251962 | 0 | None | None | None | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 436 | 8 | 3 | 5 | 3.0 | NCCCCN(C[C@H]1CN(C(=O)Nc2ccccc2)CCN1)[C@H]1CCCc2cccnc21 | 10.1016/j.bmcl.2015.04.036 | ||
| CHEMBL3627863 | 251962 | 0 | None | None | None | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 436 | 8 | 3 | 5 | 3.0 | NCCCCN(C[C@H]1CN(C(=O)Nc2ccccc2)CCN1)[C@H]1CCCc2cccnc21 | 10.1016/j.bmcl.2015.04.036 | ||
| 135314256 | 318087 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 342 | 8 | 2 | 4 | 2.5 | NCCCCN(Cc1ncccc1F)C[C@H]1Cc2ccccc2CN1 | 10.1021/acsmedchemlett.7b00381 | ||
| CHEMBL4169064 | 318087 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 342 | 8 | 2 | 4 | 2.5 | NCCCCN(Cc1ncccc1F)C[C@H]1Cc2ccccc2CN1 | 10.1021/acsmedchemlett.7b00381 | ||
| 59176517 | 289811 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 540 | 9 | 2 | 7 | 4.2 | NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCC(O)CC3)c12)[C@H]1CCCc2cccnc21 | nan | ||
| CHEMBL3952929 | 289811 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 540 | 9 | 2 | 7 | 4.2 | NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCC(O)CC3)c12)[C@H]1CCCc2cccnc21 | nan | ||
| 59176401 | 293838 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 566 | 7 | 1 | 7 | 4.8 | N[C@H]1CC[C@H](CN(Cc2nccc3c4ccccc4n(CC(=O)N4CCOCC4)c23)[C@H]2CCCc3cccnc32)CC1 | nan | ||
| CHEMBL3927684 | 293838 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 566 | 7 | 1 | 7 | 4.8 | N[C@H]1CC[C@H](CN(Cc2nccc3c4ccccc4n(CC(=O)N4CCOCC4)c23)[C@H]2CCCc3cccnc32)CC1 | nan | ||
| 59176576 | 292666 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 529 | 7 | 0 | 6 | 5.8 | CN(Cc1nccc2c3ccccc3n(CCCN3C(=O)c4ccccc4C3=O)c12)[C@H]1CCCc2cccnc21 | nan | ||
| CHEMBL3918137 | 292666 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 529 | 7 | 0 | 6 | 5.8 | CN(Cc1nccc2c3ccccc3n(CCCN3C(=O)c4ccccc4C3=O)c12)[C@H]1CCCc2cccnc21 | nan | ||
| 21984993 | 119690 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 415 | 6 | 2 | 4 | 4.6 | NCc1cc(F)ccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 | 10.1016/j.bmcl.2010.11.023 | ||
| CHEMBL1644070 | 119690 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 415 | 6 | 2 | 4 | 4.6 | NCc1cc(F)ccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 | 10.1016/j.bmcl.2010.11.023 | ||
| 59176365 | 298111 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 457 | 9 | 2 | 6 | 4.3 | NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)O)c12)[C@H]1CCCc2cccnc21 | nan | ||
| CHEMBL3962108 | 298111 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 457 | 9 | 2 | 6 | 4.3 | NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)O)c12)[C@H]1CCCc2cccnc21 | nan | ||
| 59176638 | 308625 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 413 | 7 | 1 | 5 | 4.7 | Cn1c2ccccc2c2ccnc(CN(CCCCN)[C@H]3CCCc4cccnc43)c21 | nan | ||
| CHEMBL3977215 | 308625 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 413 | 7 | 1 | 5 | 4.7 | Cn1c2ccccc2c2ccnc(CN(CCCCN)[C@H]3CCCc4cccnc43)c21 | nan | ||
| 137652982 | 314496 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 455 | 10 | 2 | 5 | 4.4 | c1ccc2c(c1)CN[C@@H](CN(CCCCNCc1ccncc1)[C@H]1CCCc3cccnc31)C2 | 10.1021/acs.jmedchem.7b01420 | ||
| CHEMBL4092405 | 314496 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 455 | 10 | 2 | 5 | 4.4 | c1ccc2c(c1)CN[C@@H](CN(CCCCNCc1ccncc1)[C@H]1CCCc3cccnc31)C2 | 10.1021/acs.jmedchem.7b01420 | ||
| CHEMBL2372994 | 485926 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 2051 | 46 | 31 | 27 | -7.7 | NCCCC[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=O)NC1=O | 10.1016/s0960-894x(01)00323-7 | ||
| 44563689 | 372931 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 388 | 5 | 1 | 5 | 4.0 | c1ccc(CN/C(=N/C2CCCCC2)SCC2CSC3=NCCN32)cc1 | 10.1021/jm801065q | ||
| CHEMBL516480 | 372931 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 388 | 5 | 1 | 5 | 4.0 | c1ccc(CN/C(=N/C2CCCCC2)SCC2CSC3=NCCN32)cc1 | 10.1021/jm801065q | ||
| 177379332 | 392702 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 1018 | 23 | 18 | 14 | -4.6 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CNC(=O)[C@@H](CCCCNC(N)N)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116669 | ||
| CHEMBL5612187 | 392702 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 1018 | 23 | 18 | 14 | -4.6 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CNC(=O)[C@@H](CCCCNC(N)N)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116669 | ||
| 25177628 | 121217 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 298 | 8 | 1 | 4 | 3.1 | Cc1cccnc1CN(CCCCN)C(C)c1ccccn1 | 10.1016/j.bmcl.2011.01.021 | ||
| CHEMBL1682986 | 121217 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 298 | 8 | 1 | 4 | 3.1 | Cc1cccnc1CN(CCCCN)C(C)c1ccccn1 | 10.1016/j.bmcl.2011.01.021 | ||
| 122192965 | 251958 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 457 | 9 | 2 | 6 | 2.2 | NCCCCN(C[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1)[C@H]1CCCc2cccnc21 | 10.1016/j.bmcl.2015.04.036 | ||
| CHEMBL3627859 | 251958 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 457 | 9 | 2 | 6 | 2.2 | NCCCCN(C[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1)[C@H]1CCCc2cccnc21 | 10.1016/j.bmcl.2015.04.036 | ||
| 145953177 | 317983 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 431 | 5 | 1 | 5 | 3.4 | CN(C[C@H]1Cc2c(cccc2N2CCN(C3CC3)CC2)CN1)[C@H]1CCCc2cccnc21 | 10.1021/acs.jmedchem.8b00450 | ||
| CHEMBL4167324 | 317983 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 431 | 5 | 1 | 5 | 3.4 | CN(C[C@H]1Cc2c(cccc2N2CCN(C3CC3)CC2)CN1)[C@H]1CCCc2cccnc21 | 10.1021/acs.jmedchem.8b00450 | ||
| CHEMBL2373001 | 485933 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 2050 | 46 | 31 | 27 | -8.3 | NCCCC[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=O)NC1=O | 10.1016/s0960-894x(01)00323-7 | ||
| 145954567 | 317997 | 0 | None | 100 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 416 | 6 | 2 | 4 | 4.3 | NCC1=C(CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CCCC1 | 10.1021/acsmedchemlett.7b00406 | ||
| CHEMBL4167521 | 317997 | 0 | None | 100 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 416 | 6 | 2 | 4 | 4.3 | NCC1=C(CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CCCC1 | 10.1021/acsmedchemlett.7b00406 | ||
| 135313931 | 328002 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 324 | 8 | 2 | 4 | 2.3 | NCCCCN(Cc1ccccn1)C[C@H]1Cc2ccccc2CN1 | 10.1021/acsmedchemlett.7b00381 | ||
| CHEMBL4175319 | 328002 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 324 | 8 | 2 | 4 | 2.3 | NCCCCN(Cc1ccccn1)C[C@H]1Cc2ccccc2CN1 | 10.1021/acsmedchemlett.7b00381 | ||
| 57345322 | 251950 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 407 | 9 | 2 | 5 | 3.0 | NCCCCN(C[C@H]1CN(Cc2ccccc2)CCN1)[C@H]1CCCc2cccnc21 | 10.1016/j.bmcl.2015.04.036 | ||
| CHEMBL3627791 | 251950 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 407 | 9 | 2 | 5 | 3.0 | NCCCCN(C[C@H]1CN(Cc2ccccc2)CCN1)[C@H]1CCCc2cccnc21 | 10.1016/j.bmcl.2015.04.036 | ||
| 146970182 | 373183 | 2 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 522 | 17 | 7 | 6 | 2.5 | N=C(N)NCCC[C@H](NCc1ccccn1)C(=O)NCc1ccc(CNCCCNC2CCCCC2)cc1 | 10.1016/j.ejmech.2022.114150 | ||
| CHEMBL5172755 | 373183 | 2 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 522 | 17 | 7 | 6 | 2.5 | N=C(N)NCCC[C@H](NCc1ccccn1)C(=O)NCc1ccc(CNCCCNC2CCCCC2)cc1 | 10.1016/j.ejmech.2022.114150 | ||
| 135313960 | 317820 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 352 | 8 | 2 | 4 | 3.2 | Cc1cccnc1[C@H](C)N(CCCCN)C[C@H]1Cc2ccccc2CN1 | 10.1021/acsmedchemlett.7b00381 | ||
| CHEMBL4164685 | 317820 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 352 | 8 | 2 | 4 | 3.2 | Cc1cccnc1[C@H](C)N(CCCCN)C[C@H]1Cc2ccccc2CN1 | 10.1021/acsmedchemlett.7b00381 | ||
| 70965023 | 291247 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 567 | 10 | 1 | 8 | 4.1 | c1cnc2c(c1)CCCC2N(CCCN1CCNCC1)Cc1nccc2c3ccccc3n(CCN3CCOCC3)c12 | nan | ||
| CHEMBL3906863 | 291247 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 567 | 10 | 1 | 8 | 4.1 | c1cnc2c(c1)CCCC2N(CCCN1CCNCC1)Cc1nccc2c3ccccc3n(CCN3CCOCC3)c12 | nan | ||
| 59176516 | 308645 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 567 | 10 | 1 | 8 | 4.1 | c1cnc2c(c1)CCC[C@@H]2N(CCCN1CCNCC1)Cc1nccc2c3ccccc3n(CCN3CCOCC3)c12 | nan | ||
| CHEMBL3980819 | 308645 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 567 | 10 | 1 | 8 | 4.1 | c1cnc2c(c1)CCC[C@@H]2N(CCCN1CCNCC1)Cc1nccc2c3ccccc3n(CCN3CCOCC3)c12 | nan | ||
| 135314141 | 312647 | 0 | None | -4 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 460 | 9 | 2 | 5 | 4.0 | C(=C/CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21)\CNCC1CCOCC1 | 10.1021/acs.jmedchem.7b01420 | ||
| CHEMBL4070320 | 312647 | 0 | None | -4 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 460 | 9 | 2 | 5 | 4.0 | C(=C/CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21)\CNCC1CCOCC1 | 10.1021/acs.jmedchem.7b01420 | ||
| 137647838 | 313481 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 392 | 7 | 2 | 4 | 4.0 | CC(C)(N)CCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 | 10.1021/acs.jmedchem.7b01420 | ||
| CHEMBL4080718 | 313481 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 392 | 7 | 2 | 4 | 4.0 | CC(C)(N)CCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 | 10.1021/acs.jmedchem.7b01420 | ||
| 177659123 | 392852 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 973 | 20 | 16 | 12 | -4.3 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CNC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116669 | ||
| CHEMBL5614016 | 392852 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 973 | 20 | 16 | 12 | -4.3 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CNC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116669 | ||
| 53324117 | 119710 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 373 | 5 | 2 | 5 | 4.1 | NCc1cocc1N(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 | 10.1016/j.bmcl.2010.11.023 | ||
| CHEMBL1644096 | 119710 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 373 | 5 | 2 | 5 | 4.1 | NCc1cocc1N(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 | 10.1016/j.bmcl.2010.11.023 | ||
| 135313730 | 318220 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 431 | 3 | 1 | 5 | 3.2 | CN1CCN(c2cccc3c2C[C@H](CN2CCC[C@H]4CCc5cccnc5[C@H]42)NC3)CC1 | 10.1021/acs.jmedchem.8b00450 | ||
| CHEMBL4171365 | 318220 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 431 | 3 | 1 | 5 | 3.2 | CN1CCN(c2cccc3c2C[C@H](CN2CCC[C@H]4CCc5cccnc5[C@H]42)NC3)CC1 | 10.1021/acs.jmedchem.8b00450 | ||
| 122192916 | 251947 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 317 | 7 | 3 | 5 | 1.1 | NCCCCN(C[C@H]1CNCCN1)[C@H]1CCCc2cccnc21 | 10.1016/j.bmcl.2015.04.036 | ||
| CHEMBL3627788 | 251947 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 317 | 7 | 3 | 5 | 1.1 | NCCCCN(C[C@H]1CNCCN1)[C@H]1CCCc2cccnc21 | 10.1016/j.bmcl.2015.04.036 | ||
| 172470899 | 389487 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 1475 | 47 | 23 | 20 | -4.0 | CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](N)CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | ||
| CHEMBL5440654 | 389487 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 1475 | 47 | 23 | 20 | -4.0 | CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](N)CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | ||
| 59176485 | 298508 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 595 | 10 | 2 | 8 | 4.1 | O=C(Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc43)c21)NC1CCOCC1 | nan | ||
| CHEMBL3965617 | 298508 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 595 | 10 | 2 | 8 | 4.1 | O=C(Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc43)c21)NC1CCOCC1 | nan | ||
| 11718722 | 40540 | 12 | None | -1 | 4 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 420 | 5 | 1 | 7 | 2.5 | CN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)c(CO)n23)CC1 | 10.1128/aac.01293-09 | ||
| CHEMBL1242210 | 40540 | 12 | None | -1 | 4 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 420 | 5 | 1 | 7 | 2.5 | CN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)c(CO)n23)CC1 | 10.1128/aac.01293-09 | ||
| 145955884 | 317894 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 431 | 6 | 2 | 5 | 3.3 | c1cnc2c(c1)CCC[C@@H]2N(CC1CC1)C[C@H]1Cc2c(cccc2N2CCNCC2)CN1 | 10.1021/acs.jmedchem.8b00450 | ||
| CHEMBL4165854 | 317894 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 431 | 6 | 2 | 5 | 3.3 | c1cnc2c(c1)CCC[C@@H]2N(CC1CC1)C[C@H]1Cc2c(cccc2N2CCNCC2)CN1 | 10.1021/acs.jmedchem.8b00450 | ||
| 135313980 | 317598 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 342 | 8 | 2 | 4 | 2.5 | NCCCCN(Cc1ccc(F)cn1)C[C@H]1Cc2ccccc2CN1 | 10.1021/acsmedchemlett.7b00381 | ||
| CHEMBL4161140 | 317598 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 342 | 8 | 2 | 4 | 2.5 | NCCCCN(Cc1ccc(F)cn1)C[C@H]1Cc2ccccc2CN1 | 10.1021/acsmedchemlett.7b00381 | ||
| 4410 | 6381 | 68 | None | -316 | 4 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/jm300862u | ||
| 65015 | 6381 | 68 | None | -316 | 4 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/jm300862u | ||
| 844 | 6381 | 68 | None | -316 | 4 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/jm300862u | ||
| CHEMBL18442 | 6381 | 68 | None | -316 | 4 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/jm300862u | ||
| DB06809 | 6381 | 68 | None | -316 | 4 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/jm300862u | ||
| 145955694 | 317989 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 420 | 7 | 2 | 6 | 2.2 | c1cnc2c(c1)CN[C@H](CN(CCCN1CCNCC1)[C@H]1CCCc3cccnc31)C2 | 10.1021/acsmedchemlett.8b00030 | ||
| CHEMBL4167467 | 317989 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 420 | 7 | 2 | 6 | 2.2 | c1cnc2c(c1)CN[C@H](CN(CCCN1CCNCC1)[C@H]1CCCc3cccnc31)C2 | 10.1021/acsmedchemlett.8b00030 | ||
| 53321040 | 121177 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 325 | 7 | 2 | 5 | 2.7 | NCCCCN(Cc1ncccc1N)C1CCCc2cccnc21 | 10.1016/j.bmcl.2011.01.021 | ||
| CHEMBL1682863 | 121177 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 325 | 7 | 2 | 5 | 2.7 | NCCCCN(Cc1ncccc1N)C1CCCc2cccnc21 | 10.1016/j.bmcl.2011.01.021 | ||
| 4410 | 6381 | 68 | None | -316 | 4 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.bmc.2009.01.014 | ||
| 65015 | 6381 | 68 | None | -316 | 4 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.bmc.2009.01.014 | ||
| 844 | 6381 | 68 | None | -316 | 4 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.bmc.2009.01.014 | ||
| CHEMBL18442 | 6381 | 68 | None | -316 | 4 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.bmc.2009.01.014 | ||
| DB06809 | 6381 | 68 | None | -316 | 4 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.bmc.2009.01.014 | ||
| 59176475 | 280096 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 524 | 9 | 1 | 6 | 5.2 | NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCCCC3)c12)[C@H]1CCCc2cccnc21 | nan | ||
| CHEMBL3894168 | 280096 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 524 | 9 | 1 | 6 | 5.2 | NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCCCC3)c12)[C@H]1CCCc2cccnc21 | nan | ||
| 145960175 | 317626 | 0 | None | 27 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 394 | 6 | 2 | 4 | 3.7 | C/C(CN)=C(\F)CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 | 10.1021/acsmedchemlett.7b00406 | ||
| CHEMBL4161528 | 317626 | 0 | None | 27 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 394 | 6 | 2 | 4 | 3.7 | C/C(CN)=C(\F)CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 | 10.1021/acsmedchemlett.7b00406 | ||
| 145958296 | 317777 | 0 | None | 38 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 376 | 6 | 2 | 4 | 3.4 | C/C(=C/CN)CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 | 10.1021/acsmedchemlett.7b00406 | ||
| CHEMBL4164075 | 317777 | 0 | None | 38 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 376 | 6 | 2 | 4 | 3.4 | C/C(=C/CN)CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 | 10.1021/acsmedchemlett.7b00406 | ||
| 21984983 | 22670 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 397 | 6 | 2 | 4 | 4.5 | NCc1ccccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 | 10.1016/j.bmcl.2010.11.023 | ||
| CHEMBL1093008 | 22670 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 397 | 6 | 2 | 4 | 4.5 | NCc1ccccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 | 10.1016/j.bmcl.2010.11.023 | ||
| 142416967 | 318236 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 404 | 5 | 2 | 4 | 4.0 | N[C@H]1CC[C@H](CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 | 10.1021/acsmedchemlett.7b00406 | ||
| CHEMBL4171643 | 318236 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 404 | 5 | 2 | 4 | 4.0 | N[C@H]1CC[C@H](CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 | 10.1021/acsmedchemlett.7b00406 | ||
| 59176563 | 292948 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 442 | 5 | 1 | 6 | 5.1 | CC(C)(C)OC(=O)Cn1c2ccccc2c2ccnc(CN[C@H]3CCCc4cccnc43)c21 | nan | ||
| CHEMBL3920427 | 292948 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 442 | 5 | 1 | 6 | 5.1 | CC(C)(C)OC(=O)Cn1c2ccccc2c2ccnc(CN[C@H]3CCCc4cccnc43)c21 | nan | ||
| 59176610 | 280195 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 617 | 12 | 1 | 8 | 5.3 | O=C(Cn1c2ccccc2c2ccnc(CN(CCCCNCc3ccncc3)[C@H]3CCCc4cccnc43)c21)N1CCOCC1 | nan | ||
| CHEMBL3895085 | 280195 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 617 | 12 | 1 | 8 | 5.3 | O=C(Cn1c2ccccc2c2ccnc(CN(CCCCNCc3ccncc3)[C@H]3CCCc4cccnc43)c21)N1CCOCC1 | nan | ||
| 135313715 | 312855 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 503 | 9 | 2 | 5 | 5.4 | c1ccc(CNCc2ccc(CN(C[C@H]3Cc4ccccc4CN3)[C@H]3CCCc4cccnc43)cc2)nc1 | 10.1021/acs.jmedchem.7b01420 | ||
| CHEMBL4072645 | 312855 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 503 | 9 | 2 | 5 | 5.4 | c1ccc(CNCc2ccc(CN(C[C@H]3Cc4ccccc4CN3)[C@H]3CCCc4cccnc43)cc2)nc1 | 10.1021/acs.jmedchem.7b01420 | ||
| 137643317 | 314290 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 448 | 9 | 2 | 5 | 4.0 | c1ccc2c(c1)CN[C@@H](CN(CCCCNC1CCOCC1)[C@H]1CCCc3cccnc31)C2 | 10.1021/acs.jmedchem.7b01420 | ||
| CHEMBL4090235 | 314290 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 448 | 9 | 2 | 5 | 4.0 | c1ccc2c(c1)CN[C@@H](CN(CCCCNC1CCOCC1)[C@H]1CCCc3cccnc31)C2 | 10.1021/acs.jmedchem.7b01420 | ||
| 145954818 | 318047 | 6 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 405 | 4 | 1 | 5 | 2.9 | CN1CCN(c2cccc3c2C[C@H](CN(C)[C@H]2CCCc4cccnc42)NC3)CC1 | 10.1021/acs.jmedchem.8b00450 | ||
| CHEMBL4168391 | 318047 | 6 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 405 | 4 | 1 | 5 | 2.9 | CN1CCN(c2cccc3c2C[C@H](CN(C)[C@H]2CCCc4cccnc42)NC3)CC1 | 10.1021/acs.jmedchem.8b00450 | ||
| 155519969 | 334918 | 0 | None | -2 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 492 | 8 | 1 | 6 | 6.8 | CCCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)c1nc2cc(Cl)cc(Cl)c2o1 | 10.1016/j.bmc.2019.115091 | ||
| CHEMBL4447627 | 334918 | 0 | None | -2 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 492 | 8 | 1 | 6 | 6.8 | CCCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)c1nc2cc(Cl)cc(Cl)c2o1 | 10.1016/j.bmc.2019.115091 | ||
| 135313976 | 318054 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 338 | 8 | 2 | 4 | 2.6 | Cc1cccc(CN(CCCCN)C[C@H]2Cc3ccccc3CN2)n1 | 10.1021/acsmedchemlett.7b00381 | ||
| CHEMBL4168512 | 318054 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 338 | 8 | 2 | 4 | 2.6 | Cc1cccc(CN(CCCCN)C[C@H]2Cc3ccccc3CN2)n1 | 10.1021/acsmedchemlett.7b00381 | ||
| 135313773 | 313096 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 412 | 6 | 2 | 4 | 4.1 | NCc1cccc(CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)c1 | 10.1021/acs.jmedchem.7b01420 | ||
| CHEMBL4075694 | 313096 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 412 | 6 | 2 | 4 | 4.1 | NCc1cccc(CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)c1 | 10.1021/acs.jmedchem.7b01420 | ||
| 57345320 | 8342 | 12 | None | 34 | 7 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/ml400183q | ||
| 9882 | 8342 | 12 | None | 34 | 7 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/ml400183q | ||
| CHEMBL3091687 | 8342 | 12 | None | 34 | 7 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/ml400183q | ||
| 76331766 | 213552 | 0 | None | None | None | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 407 | 8 | 3 | 4 | 2.9 | NC(=O)NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 | 10.1021/ml400183q | ||
| CHEMBL3091685 | 213552 | 0 | None | None | None | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 407 | 8 | 3 | 4 | 2.9 | NC(=O)NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 | 10.1021/ml400183q | ||
| 25178136 | 372110 | 0 | None | None | None | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 406 | 4 | 1 | 5 | 5.4 | C1=C(CS/C(=N\C2CCCCCC2)NC2CCCCCC2)N2CCN=C2S1 | 10.1021/jm801065q | ||
| CHEMBL508054 | 372110 | 0 | None | None | None | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 406 | 4 | 1 | 5 | 5.4 | C1=C(CS/C(=N\C2CCCCCC2)NC2CCCCCC2)N2CCN=C2S1 | 10.1021/jm801065q | ||
| 4410 | 6381 | 68 | None | -316 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2022.114150 | ||
| 65015 | 6381 | 68 | None | -316 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2022.114150 | ||
| 844 | 6381 | 68 | None | -316 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2022.114150 | ||
| CHEMBL18442 | 6381 | 68 | None | -316 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2022.114150 | ||
| DB06809 | 6381 | 68 | None | -316 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2022.114150 | ||
| 11718722 | 40540 | 12 | None | -1 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 420 | 5 | 1 | 7 | 2.5 | CN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)c(CO)n23)CC1 | 10.1128/aac.01293-09 | ||
| CHEMBL1242210 | 40540 | 12 | None | -1 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 420 | 5 | 1 | 7 | 2.5 | CN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)c(CO)n23)CC1 | 10.1128/aac.01293-09 | ||
| 145963140 | 317691 | 0 | None | None | None | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 431 | 4 | 1 | 5 | 3.4 | CN(C[C@H]1Cc2c(cccc2N2CCN3CCC[C@@H]3C2)CN1)[C@H]1CCCc2cccnc21 | 10.1021/acs.jmedchem.8b00450 | ||
| CHEMBL4162609 | 317691 | 0 | None | None | None | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 431 | 4 | 1 | 5 | 3.4 | CN(C[C@H]1Cc2c(cccc2N2CCN3CCC[C@@H]3C2)CN1)[C@H]1CCCc2cccnc21 | 10.1021/acs.jmedchem.8b00450 | ||
| 137635041 | 311948 | 0 | None | None | None | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 482 | 9 | 2 | 4 | 5.4 | FC1(F)CCC(NCCCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 | 10.1021/acs.jmedchem.7b01420 | ||
| CHEMBL4062223 | 311948 | 0 | None | None | None | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 482 | 9 | 2 | 4 | 5.4 | FC1(F)CCC(NCCCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 | 10.1021/acs.jmedchem.7b01420 | ||
| 70924213 | 290302 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 399 | 7 | 2 | 4 | 4.7 | NCCCCN(Cc1nccc2c1[nH]c1ccccc12)[C@H]1CCCc2cccnc21 | nan | ||
| CHEMBL3898910 | 290302 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 399 | 7 | 2 | 4 | 4.7 | NCCCCN(Cc1nccc2c1[nH]c1ccccc12)[C@H]1CCCc2cccnc21 | nan | ||
| 59176413 | 290385 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 525 | 10 | 2 | 7 | 3.6 | NCCCn1c2ccccc2c2ccnc(CN(CCCN3CCNC(=O)C3)[C@H]3CCCc4cccnc43)c21 | nan | ||
| CHEMBL3899664 | 290385 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 525 | 10 | 2 | 7 | 3.6 | NCCCn1c2ccccc2c2ccnc(CN(CCCN3CCNC(=O)C3)[C@H]3CCCc4cccnc43)c21 | nan | ||
| 59176465 | 290714 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 539 | 9 | 1 | 7 | 4.0 | CN1CCN(C(=O)Cn2c3ccccc3c3ccnc(CN(CCCCN)[C@H]4CCCc5cccnc54)c32)CC1 | nan | ||
| CHEMBL3902493 | 290714 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 539 | 9 | 1 | 7 | 4.0 | CN1CCN(C(=O)Cn2c3ccccc3c3ccnc(CN(CCCCN)[C@H]4CCCc5cccnc54)c32)CC1 | nan | ||
| 145952723 | 317971 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 469 | 5 | 1 | 7 | 3.2 | CN(C[C@H]1Cc2c(cccc2N2CCN(c3ncccn3)CC2)CN1)[C@H]1CCCc2cccnc21 | 10.1021/acs.jmedchem.8b00450 | ||
| CHEMBL4167145 | 317971 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 469 | 5 | 1 | 7 | 3.2 | CN(C[C@H]1Cc2c(cccc2N2CCN(c3ncccn3)CC2)CN1)[C@H]1CCCc2cccnc21 | 10.1021/acs.jmedchem.8b00450 | ||
| 11947758 | 915 | 28 | None | -75857 | 4 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H](NC(=O)C21CCN(CC2)Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O)[C@@H](C1CCCCC1)O | 10.1016/j.bmc.2011.05.022 | ||
| 3001322 | 915 | 28 | None | -75857 | 4 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H](NC(=O)C21CCN(CC2)Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O)[C@@H](C1CCCCC1)O | 10.1016/j.bmc.2011.05.022 | ||
| 805 | 915 | 28 | None | -75857 | 4 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H](NC(=O)C21CCN(CC2)Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O)[C@@H](C1CCCCC1)O | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1255794 | 915 | 28 | None | -75857 | 4 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H](NC(=O)C21CCN(CC2)Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O)[C@@H](C1CCCCC1)O | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1739499 | 915 | 28 | None | -75857 | 4 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H](NC(=O)C21CCN(CC2)Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O)[C@@H](C1CCCCC1)O | 10.1016/j.bmc.2011.05.022 | ||
| DB06497 | 915 | 28 | None | -75857 | 4 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H](NC(=O)C21CCN(CC2)Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O)[C@@H](C1CCCCC1)O | 10.1016/j.bmc.2011.05.022 | ||
| 25178142 | 373672 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 430 | 4 | 1 | 5 | 5.2 | C1=C(CS/C(=N\C2CCCCC2)NC23CC4CC(CC(C4)C2)C3)N2CCN=C2S1 | 10.1021/jm801065q | ||
| CHEMBL518041 | 373672 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 430 | 4 | 1 | 5 | 5.2 | C1=C(CS/C(=N\C2CCCCC2)NC23CC4CC(CC(C4)C2)C3)N2CCN=C2S1 | 10.1021/jm801065q | ||
| 178321000 | 467124 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 998 | 18 | 15 | 14 | -3.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1Cc2cnnn2CC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116911 | ||
| CHEMBL6169200 | 467124 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 998 | 18 | 15 | 14 | -3.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1Cc2cnnn2CC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116911 | ||
| 59176389 | 292473 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 490 | 9 | 1 | 6 | 5.6 | NCCCCN(Cc1nccc2c3ccccc3n(Cc3ccccn3)c12)[C@H]1CCCc2cccnc21 | nan | ||
| CHEMBL3916633 | 292473 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 490 | 9 | 1 | 6 | 5.6 | NCCCCN(Cc1nccc2c3ccccc3n(Cc3ccccn3)c12)[C@H]1CCCc2cccnc21 | nan | ||
| 145957239 | 317656 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 391 | 4 | 2 | 5 | 2.5 | CN(C[C@@H]1Cc2c(cccc2N2CCNCC2)CN1)[C@H]1CCCc2cccnc21 | 10.1021/acs.jmedchem.8b00450 | ||
| CHEMBL4162011 | 317656 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 391 | 4 | 2 | 5 | 2.5 | CN(C[C@@H]1Cc2c(cccc2N2CCNCC2)CN1)[C@H]1CCCc2cccnc21 | 10.1021/acs.jmedchem.8b00450 | ||
| 145953325 | 317909 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 405 | 4 | 1 | 5 | 2.9 | CN(C[C@H]1Cc2c(cccc2N2CCNCC2)CN1C)[C@H]1CCCc2cccnc21 | 10.1021/acs.jmedchem.8b00450 | ||
| CHEMBL4166059 | 317909 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 405 | 4 | 1 | 5 | 2.9 | CN(C[C@H]1Cc2c(cccc2N2CCNCC2)CN1C)[C@H]1CCCc2cccnc21 | 10.1021/acs.jmedchem.8b00450 | ||
| 145971507 | 328112 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 419 | 6 | 2 | 5 | 3.3 | CCCN(C[C@H]1Cc2c(cccc2N2CCNCC2)CN1)[C@H]1CCCc2cccnc21 | 10.1021/acs.jmedchem.8b00450 | ||
| CHEMBL4177130 | 328112 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 419 | 6 | 2 | 5 | 3.3 | CCCN(C[C@H]1Cc2c(cccc2N2CCNCC2)CN1)[C@H]1CCCc2cccnc21 | 10.1021/acs.jmedchem.8b00450 | ||
| 25147749 | 4280 | 21 | None | -26 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 406 | 4 | 1 | 5 | 5.4 | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 | 10.1021/acsmedchemlett.0c00444 | ||
| 2899 | 4280 | 21 | None | -26 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 406 | 4 | 1 | 5 | 5.4 | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 | 10.1021/acsmedchemlett.0c00444 | ||
| CHEMBL460491 | 4280 | 21 | None | -26 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 406 | 4 | 1 | 5 | 5.4 | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 | 10.1021/acsmedchemlett.0c00444 | ||
| 46204212 | 22608 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 363 | 6 | 2 | 4 | 3.1 | NCCCC(=O)N(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 | 10.1021/jm100073m | ||
| CHEMBL1092629 | 22608 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 363 | 6 | 2 | 4 | 3.1 | NCCCC(=O)N(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 | 10.1021/jm100073m | ||
| 44242331 | 298814 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 390 | 8 | 1 | 6 | 3.5 | Cn1c(CN(CCCCN)C2CCCc3cccnc32)nnc1-c1ccccc1 | nan | ||
| CHEMBL3968349 | 298814 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 390 | 8 | 1 | 6 | 3.5 | Cn1c(CN(CCCCN)C2CCCc3cccnc32)nnc1-c1ccccc1 | nan | ||
| 135314218 | 327860 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 356 | 8 | 2 | 4 | 2.8 | Cc1cnc(CN(CCCCN)C[C@H]2Cc3ccccc3CN2)c(F)c1 | 10.1021/acsmedchemlett.7b00381 | ||
| CHEMBL4172727 | 327860 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 356 | 8 | 2 | 4 | 2.8 | Cc1cnc(CN(CCCCN)C[C@H]2Cc3ccccc3CN2)c(F)c1 | 10.1021/acsmedchemlett.7b00381 | ||
| 25147749 | 4280 | 21 | None | -26 | 2 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 406 | 4 | 1 | 5 | 5.4 | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 | 10.1039/c9md00433e | ||
| 2899 | 4280 | 21 | None | -26 | 2 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 406 | 4 | 1 | 5 | 5.4 | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 | 10.1039/c9md00433e | ||
| CHEMBL460491 | 4280 | 21 | None | -26 | 2 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 406 | 4 | 1 | 5 | 5.4 | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 | 10.1039/c9md00433e | ||
| 59176593 | 290083 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 515 | 6 | 0 | 6 | 5.4 | CN(Cc1nccc2c3ccccc3n(CCN3C(=O)c4ccccc4C3=O)c12)[C@H]1CCCc2cccnc21 | nan | ||
| CHEMBL3897144 | 290083 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 515 | 6 | 0 | 6 | 5.4 | CN(Cc1nccc2c3ccccc3n(CCN3C(=O)c4ccccc4C3=O)c12)[C@H]1CCCc2cccnc21 | nan | ||
| 145971189 | 328025 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 447 | 8 | 1 | 5 | 3.5 | CCN1CCN(CCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 | 10.1021/acsmedchemlett.8b00030 | ||
| CHEMBL4175653 | 328025 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 447 | 8 | 1 | 5 | 3.5 | CCN1CCN(CCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 | 10.1021/acsmedchemlett.8b00030 | ||
| 146398479 | 367782 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 405 | 4 | 2 | 5 | 3.0 | CN(C[C@H]1Cc2c(cccc2N2CCC(N)CC2)CN1)[C@H]1CCCc2cccnc21 | 10.1021/acsmedchemlett.1c00449 | ||
| CHEMBL4846946 | 367782 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 405 | 4 | 2 | 5 | 3.0 | CN(C[C@H]1Cc2c(cccc2N2CCC(N)CC2)CN1)[C@H]1CCCc2cccnc21 | 10.1021/acsmedchemlett.1c00449 | ||
| 145960079 | 317841 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 419 | 4 | 2 | 5 | 3.3 | CN(C[C@H]1Cc2c(cccc2N2CCNC(C)(C)C2)CN1)[C@H]1CCCc2cccnc21 | 10.1021/acs.jmedchem.8b00450 | ||
| CHEMBL4164970 | 317841 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 419 | 4 | 2 | 5 | 3.3 | CN(C[C@H]1Cc2c(cccc2N2CCNC(C)(C)C2)CN1)[C@H]1CCCc2cccnc21 | 10.1021/acs.jmedchem.8b00450 | ||
| 162652106 | 354180 | 0 | None | -123 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 1090 | 24 | 7 | 15 | 5.0 | CC1(C)CN2C(CS/C(=N\[C@H]3CC[C@H](CNC(=O)COCC(=O)NCCCCCCNC(=O)COCC(=O)N[C@@H]4CC[C@@]5(O)[C@H]6Cc7ccc(O)c8c7[C@@]5(CCN6CC5CC5)[C@H]4O8)CC3)NC3CCCCC3)=CSC2=N1 | 10.1039/c9md00433e | ||
| CHEMBL4750948 | 354180 | 0 | None | -123 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 1090 | 24 | 7 | 15 | 5.0 | CC1(C)CN2C(CS/C(=N\[C@H]3CC[C@H](CNC(=O)COCC(=O)NCCCCCCNC(=O)COCC(=O)N[C@@H]4CC[C@@]5(O)[C@H]6Cc7ccc(O)c8c7[C@@]5(CCN6CC5CC5)[C@H]4O8)CC3)NC3CCCCC3)=CSC2=N1 | 10.1039/c9md00433e | ||
| 135313757 | 328069 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 374 | 8 | 2 | 4 | 3.5 | NCCCCN(Cc1cc2ccccc2cn1)C[C@H]1Cc2ccccc2CN1 | 10.1021/acsmedchemlett.7b00381 | ||
| CHEMBL4176370 | 328069 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 374 | 8 | 2 | 4 | 3.5 | NCCCCN(Cc1cc2ccccc2cn1)C[C@H]1Cc2ccccc2CN1 | 10.1021/acsmedchemlett.7b00381 | ||
| 59176471 | 298315 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 454 | 7 | 2 | 5 | 4.3 | c1cnc2c(c1)CCC[C@@H]2N(CCCN1CCNCC1)Cc1cc2c(cn1)[nH]c1ccccc12 | nan | ||
| CHEMBL3964095 | 298315 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 454 | 7 | 2 | 5 | 4.3 | c1cnc2c(c1)CCC[C@@H]2N(CCCN1CCNCC1)Cc1cc2c(cn1)[nH]c1ccccc12 | nan | ||
| 59176496 | 296134 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 413 | 7 | 1 | 5 | 4.8 | CN(Cc1nccc2c3ccccc3n(CCCCN)c12)[C@H]1CCCc2cccnc21 | nan | ||
| CHEMBL3946029 | 296134 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 413 | 7 | 1 | 5 | 4.8 | CN(Cc1nccc2c3ccccc3n(CCCCN)c12)[C@H]1CCCc2cccnc21 | nan | ||
| 142416884 | 327496 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 390 | 4 | 2 | 4 | 3.7 | N[C@H]1CC[C@H](N(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 | 10.1021/acsmedchemlett.7b00406 | ||
| CHEMBL4175088 | 327496 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 390 | 4 | 2 | 4 | 3.7 | N[C@H]1CC[C@H](N(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 | 10.1021/acsmedchemlett.7b00406 | ||
| 145955917 | 317975 | 0 | None | 29 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 418 | 6 | 2 | 4 | 4.2 | NC[C@H]1CC[C@H](CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 | 10.1021/acsmedchemlett.7b00406 | ||
| CHEMBL4167221 | 317975 | 0 | None | 29 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 418 | 6 | 2 | 4 | 4.2 | NC[C@H]1CC[C@H](CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 | 10.1021/acsmedchemlett.7b00406 | ||
| 177659109 | 392829 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 993 | 19 | 15 | 11 | -2.3 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116669 | ||
| CHEMBL5613781 | 392829 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 993 | 19 | 15 | 11 | -2.3 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116669 | ||
| 53321037 | 121170 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 324 | 7 | 1 | 4 | 3.4 | Cc1ccc(CN(CCCCN)C2CCCc3cccnc32)nc1 | 10.1016/j.bmcl.2011.01.021 | ||
| CHEMBL1682856 | 121170 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 324 | 7 | 1 | 4 | 3.4 | Cc1ccc(CN(CCCCN)C2CCCc3cccnc32)nc1 | 10.1016/j.bmcl.2011.01.021 | ||
| 122192922 | 251954 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 411 | 8 | 2 | 6 | 2.2 | NCCCCN(C[C@@H]1CN(C(=O)c2ccco2)CCN1)[C@H]1CCCc2cccnc21 | 10.1016/j.bmcl.2015.04.036 | ||
| CHEMBL3627798 | 251954 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 411 | 8 | 2 | 6 | 2.2 | NCCCCN(C[C@@H]1CN(C(=O)c2ccco2)CCN1)[C@H]1CCCc2cccnc21 | 10.1016/j.bmcl.2015.04.036 | ||
| 146398482 | 369748 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 433 | 5 | 1 | 5 | 3.6 | CN(C)C1CCN(c2cccc3c2C[C@H](CN(C)[C@H]2CCCc4cccnc42)NC3)CC1 | 10.1021/acsmedchemlett.1c00449 | ||
| CHEMBL4876951 | 369748 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 433 | 5 | 1 | 5 | 3.6 | CN(C)C1CCN(c2cccc3c2C[C@H](CN(C)[C@H]2CCCc4cccnc42)NC3)CC1 | 10.1021/acsmedchemlett.1c00449 | ||
| 72546061 | 213555 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 455 | 9 | 1 | 5 | 4.5 | NCCCCN(C[C@H]1Cc2ccccc2CN1Cc1cccnc1)[C@H]1CCCc2cccnc21 | 10.1021/ml400183q | ||
| CHEMBL3091689 | 213555 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 455 | 9 | 1 | 5 | 4.5 | NCCCCN(C[C@H]1Cc2ccccc2CN1Cc1cccnc1)[C@H]1CCCc2cccnc21 | 10.1021/ml400183q | ||
| 71451639 | 163604 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 414 | 12 | 2 | 4 | 4.4 | C[C@@H]1CCCCN1CCCNCc1ccc(CNCCCN2CCCC[C@H]2C)cc1 | 10.1021/jm300862u | ||
| CHEMBL2170298 | 163604 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 414 | 12 | 2 | 4 | 4.4 | C[C@@H]1CCCCN1CCCNCc1ccc(CNCCCN2CCCC[C@H]2C)cc1 | 10.1021/jm300862u | ||
| 155569501 | 350157 | 0 | None | -1 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 450 | 7 | 1 | 6 | 5.9 | c1ccc(-c2nnn[nH]2)c(-c2ccc(CN(CC3CCCC3)c3nc4ccccc4o3)cc2)c1 | 10.1016/j.bmc.2019.115091 | ||
| CHEMBL4593522 | 350157 | 0 | None | -1 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 450 | 7 | 1 | 6 | 5.9 | c1ccc(-c2nnn[nH]2)c(-c2ccc(CN(CC3CCCC3)c3nc4ccccc4o3)cc2)c1 | 10.1016/j.bmc.2019.115091 | ||
| 70924216 | 296239 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 425 | 5 | 2 | 4 | 5.0 | c1cnc2c(c1)CCC[C@@H]2N(Cc1nccc2c1[nH]c1ccccc12)CC1CCCNC1 | nan | ||
| CHEMBL3946745 | 296239 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 425 | 5 | 2 | 4 | 5.0 | c1cnc2c(c1)CCC[C@@H]2N(Cc1nccc2c1[nH]c1ccccc12)CC1CCCNC1 | nan | ||
| 137633531 | 312203 | 0 | None | -1 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 476 | 9 | 2 | 5 | 4.7 | CC(C)(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21)CNC1CCOCC1 | 10.1021/acs.jmedchem.7b01420 | ||
| CHEMBL4065224 | 312203 | 0 | None | -1 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 476 | 9 | 2 | 5 | 4.7 | CC(C)(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21)CNC1CCOCC1 | 10.1021/acs.jmedchem.7b01420 | ||
| 137651429 | 313187 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 461 | 10 | 3 | 5 | 3.8 | c1ccc2c(c1)CN[C@@H](CN(CCCCNCC1CCNCC1)[C@H]1CCCc3cccnc31)C2 | 10.1021/acs.jmedchem.7b01420 | ||
| CHEMBL4076841 | 313187 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 461 | 10 | 3 | 5 | 3.8 | c1ccc2c(c1)CN[C@@H](CN(CCCCNCC1CCNCC1)[C@H]1CCCc3cccnc31)C2 | 10.1021/acs.jmedchem.7b01420 | ||
| 145949949 | 327923 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 419 | 5 | 2 | 5 | 3.3 | CC(C)N(C[C@H]1Cc2c(cccc2N2CCNCC2)CN1)[C@H]1CCCc2cccnc21 | 10.1021/acs.jmedchem.8b00450 | ||
| CHEMBL4173777 | 327923 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 419 | 5 | 2 | 5 | 3.3 | CC(C)N(C[C@H]1Cc2c(cccc2N2CCNCC2)CN1)[C@H]1CCCc2cccnc21 | 10.1021/acs.jmedchem.8b00450 | ||
| 172470899 | 389487 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 1475 | 47 | 23 | 20 | -4.0 | CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](N)CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | ||
| CHEMBL5440654 | 389487 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 1475 | 47 | 23 | 20 | -4.0 | CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](N)CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | ||
| 59176557 | 293605 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 568 | 9 | 1 | 8 | 5.1 | CC(C)(C)OC(=O)Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc43)c21 | nan | ||
| CHEMBL3925646 | 293605 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 568 | 9 | 1 | 8 | 5.1 | CC(C)(C)OC(=O)Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc43)c21 | nan | ||
| 70924238 | 298466 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 502 | 6 | 2 | 5 | 5.6 | c1ccc(N2CCNCC2)c(CN(Cc2nccc3c2[nH]c2ccccc23)[C@H]2CCCc3cccnc32)c1 | nan | ||
| CHEMBL3965386 | 298466 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 502 | 6 | 2 | 5 | 5.6 | c1ccc(N2CCNCC2)c(CN(Cc2nccc3c2[nH]c2ccccc23)[C@H]2CCCc3cccnc32)c1 | nan | ||
| 53321038 | 121172 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 338 | 7 | 1 | 4 | 3.7 | Cc1cc(C)nc(CN(CCCCN)C2CCCc3cccnc32)c1 | 10.1016/j.bmcl.2011.01.021 | ||
| CHEMBL1682858 | 121172 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 338 | 7 | 1 | 4 | 3.7 | Cc1cc(C)nc(CN(CCCCN)C2CCCc3cccnc32)c1 | 10.1016/j.bmcl.2011.01.021 | ||
| 70924219 | 299298 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 470 | 8 | 2 | 4 | 5.0 | CN(C)C(=O)NCCCCN(Cc1nccc2c1[nH]c1ccccc12)C1CCCc2cccnc21 | nan | ||
| CHEMBL3972688 | 299298 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 470 | 8 | 2 | 4 | 5.0 | CN(C)C(=O)NCCCCN(Cc1nccc2c1[nH]c1ccccc12)C1CCCc2cccnc21 | nan | ||
| 2795811 | 62823 | 19 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 275 | 2 | 0 | 5 | 3.2 | CSc1nnc(-c2ccc(C(F)(F)F)nc2C)o1 | 10.1016/j.ejmech.2017.08.027 | ||
| CHEMBL1381819 | 62823 | 19 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 275 | 2 | 0 | 5 | 3.2 | CSc1nnc(-c2ccc(C(F)(F)F)nc2C)o1 | 10.1016/j.ejmech.2017.08.027 | ||
| 142416935 | 327994 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 447 | 5 | 1 | 6 | 2.6 | CN(C[C@H]1Cc2c(cccc2N2CCN(C3COC3)CC2)CN1)[C@H]1CCCc2cccnc21 | 10.1021/acs.jmedchem.8b00450 | ||
| CHEMBL4175201 | 327994 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 447 | 5 | 1 | 6 | 2.6 | CN(C[C@H]1Cc2c(cccc2N2CCN(C3COC3)CC2)CN1)[C@H]1CCCc2cccnc21 | 10.1021/acs.jmedchem.8b00450 | ||
| 172439799 | 387317 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 1493 | 48 | 23 | 21 | -4.3 | CSCC[C@H](NC(=O)[C@H](N)CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | ||
| CHEMBL5393986 | 387317 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 1493 | 48 | 23 | 21 | -4.3 | CSCC[C@H](NC(=O)[C@H](N)CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | ||
| 20725627 | 119697 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 455 | 7 | 2 | 6 | 4.3 | COC(=O)c1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)c(CN)c1 | 10.1016/j.bmcl.2010.11.023 | ||
| CHEMBL1644077 | 119697 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 455 | 7 | 2 | 6 | 4.3 | COC(=O)c1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)c(CN)c1 | 10.1016/j.bmcl.2010.11.023 | ||
| 122192967 | 251960 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 513 | 9 | 2 | 7 | 3.4 | NCCCCN(C[C@H]1CN(S(=O)(=O)c2cc3ccccc3s2)CCN1)[C@H]1CCCc2cccnc21 | 10.1016/j.bmcl.2015.04.036 | ||
| CHEMBL3627861 | 251960 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 513 | 9 | 2 | 7 | 3.4 | NCCCCN(C[C@H]1CN(S(=O)(=O)c2cc3ccccc3s2)CCN1)[C@H]1CCCc2cccnc21 | 10.1016/j.bmcl.2015.04.036 | ||
| 72546065 | 213559 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 378 | 7 | 1 | 4 | 3.6 | CN1Cc2ccccc2C[C@@H]1CN(CCCCN)[C@H]1CCCc2cccnc21 | 10.1021/ml400183q | ||
| CHEMBL3091693 | 213559 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 378 | 7 | 1 | 4 | 3.6 | CN1Cc2ccccc2C[C@@H]1CN(CCCCN)[C@H]1CCCc2cccnc21 | 10.1021/ml400183q | ||
| 155567133 | 349855 | 0 | None | -1 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 472 | 8 | 1 | 6 | 6.4 | CCCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)c1nc2cc(Cl)cc(C)c2o1 | 10.1016/j.bmc.2019.115091 | ||
| CHEMBL4586253 | 349855 | 0 | None | -1 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 472 | 8 | 1 | 6 | 6.4 | CCCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)c1nc2cc(Cl)cc(C)c2o1 | 10.1016/j.bmc.2019.115091 | ||
| 76335355 | 213551 | 0 | None | None | None | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 406 | 8 | 2 | 4 | 3.4 | CC(=O)NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 | 10.1021/ml400183q | ||
| CHEMBL3091684 | 213551 | 0 | None | None | None | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 406 | 8 | 2 | 4 | 3.4 | CC(=O)NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 | 10.1021/ml400183q | ||
| 59176550 | 291554 | 0 | None | None | None | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 539 | 11 | 2 | 7 | 4.0 | NCCCCN(Cc1nccc2c3ccccc3n(CCCN3CCNC(=O)C3)c12)[C@H]1CCCc2cccnc21 | nan | ||
| CHEMBL3909409 | 291554 | 0 | None | None | None | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 539 | 11 | 2 | 7 | 4.0 | NCCCCN(Cc1nccc2c3ccccc3n(CCCN3CCNC(=O)C3)c12)[C@H]1CCCc2cccnc21 | nan | ||
| 59176372 | 297501 | 0 | None | None | None | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 512 | 10 | 1 | 7 | 4.5 | NCCCCN(Cc1nccc2c3ccccc3n(CCN3CCOCC3)c12)[C@H]1CCCc2cccnc21 | nan | ||
| CHEMBL3957139 | 297501 | 0 | None | None | None | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 512 | 10 | 1 | 7 | 4.5 | NCCCCN(Cc1nccc2c3ccccc3n(CCN3CCOCC3)c12)[C@H]1CCCc2cccnc21 | nan | ||
| 59176621 | 299499 | 0 | None | None | None | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 453 | 9 | 1 | 5 | 5.6 | NCCCCN(Cc1nccc2c3ccccc3n(CC3CC3)c12)[C@H]1CCCc2cccnc21 | nan | ||
| CHEMBL3974510 | 299499 | 0 | None | None | None | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 453 | 9 | 1 | 5 | 5.6 | NCCCCN(Cc1nccc2c3ccccc3n(CC3CC3)c12)[C@H]1CCCc2cccnc21 | nan | ||
| 11718722 | 40540 | 12 | None | -2 | 4 | Rat | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 420 | 5 | 1 | 7 | 2.5 | CN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)c(CO)n23)CC1 | 10.1128/aac.01293-09 | ||
| CHEMBL1242210 | 40540 | 12 | None | -2 | 4 | Rat | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 420 | 5 | 1 | 7 | 2.5 | CN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)c(CO)n23)CC1 | 10.1128/aac.01293-09 | ||
| 145957599 | 317489 | 0 | None | None | None | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 482 | 6 | 1 | 6 | 3.8 | CN(C[C@H]1Cc2c(cccc2N2CCN(Cc3ccccn3)CC2)CN1)[C@H]1CCCc2cccnc21 | 10.1021/acs.jmedchem.8b00450 | ||
| CHEMBL4159234 | 317489 | 0 | None | None | None | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 482 | 6 | 1 | 6 | 3.8 | CN(C[C@H]1Cc2c(cccc2N2CCN(Cc3ccccn3)CC2)CN1)[C@H]1CCCc2cccnc21 | 10.1021/acs.jmedchem.8b00450 | ||
| 138501437 | 366522 | 0 | None | None | None | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 366 | 4 | 0 | 6 | 2.6 | Cc1ccc([C@@H]2CCCN2Cc2cc(N3CCN(C)CC3)nc(C)n2)nc1 | 10.1016/j.ejmech.2020.112537 | ||
| CHEMBL4795444 | 366522 | 0 | None | None | None | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 366 | 4 | 0 | 6 | 2.6 | Cc1ccc([C@@H]2CCCN2Cc2cc(N3CCN(C)CC3)nc(C)n2)nc1 | 10.1016/j.ejmech.2020.112537 | ||
| 135314390 | 314343 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 453 | 9 | 2 | 5 | 4.2 | C(=C/CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21)\CNCc1ccncc1 | 10.1021/acs.jmedchem.7b01420 | ||
| CHEMBL4090772 | 314343 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 453 | 9 | 2 | 5 | 4.2 | C(=C/CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21)\CNCc1ccncc1 | 10.1021/acs.jmedchem.7b01420 | ||
| 46189876 | 328507 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 349 | 4 | 3 | 4 | 3.3 | Cn1ccc2c(NC(=O)NCCc3ccc4c(n3)NCCC4)cccc21 | 10.1016/j.ejmech.2018.02.043 | ||
| CHEMBL4202860 | 328507 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 349 | 4 | 3 | 4 | 3.3 | Cn1ccc2c(NC(=O)NCCc3ccc4c(n3)NCCC4)cccc21 | 10.1016/j.ejmech.2018.02.043 | ||
| 59176611 | 299064 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 579 | 9 | 1 | 7 | 4.8 | O=C(Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc43)c21)N1CCCCC1 | nan | ||
| CHEMBL3970736 | 299064 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 579 | 9 | 1 | 7 | 4.8 | O=C(Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc43)c21)N1CCCCC1 | nan | ||
| 142416759 | 327889 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 392 | 8 | 2 | 4 | 3.4 | NCCCCN(Cc1ncccc1C(F)(F)F)C[C@H]1Cc2ccccc2CN1 | 10.1021/acsmedchemlett.7b00381 | ||
| CHEMBL4173145 | 327889 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 392 | 8 | 2 | 4 | 3.4 | NCCCCN(Cc1ncccc1C(F)(F)F)C[C@H]1Cc2ccccc2CN1 | 10.1021/acsmedchemlett.7b00381 | ||
| 172441806 | 387834 | 0 | None | None | None | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 1499 | 47 | 23 | 19 | -3.5 | CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | ||
| CHEMBL5404609 | 387834 | 0 | None | None | None | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 1499 | 47 | 23 | 19 | -3.5 | CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | ||
| 59176414 | 290113 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 500 | 10 | 1 | 7 | 3.7 | CC(c1ccccn1)N(CCCCN)Cc1nccc2c3ccccc3n(CC(=O)N3CCOCC3)c12 | nan | ||
| CHEMBL3897384 | 290113 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 500 | 10 | 1 | 7 | 3.7 | CC(c1ccccn1)N(CCCCN)Cc1nccc2c3ccccc3n(CC(=O)N3CCOCC3)c12 | nan | ||
| 137640446 | 312952 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 490 | 10 | 2 | 5 | 4.9 | CC(C)(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21)CNCC1CCOCC1 | 10.1021/acs.jmedchem.7b01420 | ||
| CHEMBL4073818 | 312952 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 490 | 10 | 2 | 5 | 4.9 | CC(C)(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21)CNCC1CCOCC1 | 10.1021/acs.jmedchem.7b01420 | ||
| 135313705 | 317660 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 366 | 7 | 1 | 6 | 2.0 | c1cnc(CN(CCCN2CCNCC2)[C@H]2CCCc3cccnc32)nc1 | 10.1021/acsmedchemlett.8b00030 | ||
| CHEMBL4162125 | 317660 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 366 | 7 | 1 | 6 | 2.0 | c1cnc(CN(CCCN2CCNCC2)[C@H]2CCCc3cccnc32)nc1 | 10.1021/acsmedchemlett.8b00030 | ||
| 172452641 | 388187 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 1443 | 45 | 23 | 19 | -4.1 | CC(C)C[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | ||
| 172467876 | 388187 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 1443 | 45 | 23 | 19 | -4.1 | CC(C)C[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | ||
| CHEMBL5411776 | 388187 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 1443 | 45 | 23 | 19 | -4.1 | CC(C)C[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | ||
| CHEMBL5434525 | 388187 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 1443 | 45 | 23 | 19 | -4.1 | CC(C)C[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | ||
| 25178569 | 350949 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 434 | 4 | 1 | 5 | 5.9 | CC(C)(C)C1CCC(N/C(=N/C2CCCCC2)SCC2=CSC3=NCCN23)CC1 | 10.1021/jm801065q | ||
| CHEMBL462588 | 350949 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 434 | 4 | 1 | 5 | 5.9 | CC(C)(C)C1CCC(N/C(=N/C2CCCCC2)SCC2=CSC3=NCCN23)CC1 | 10.1021/jm801065q | ||
| 59176519 | 292508 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 539 | 9 | 2 | 7 | 4.2 | NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCC(N)CC3)c12)[C@H]1CCCc2cccnc21 | nan | ||
| CHEMBL3916930 | 292508 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 539 | 9 | 2 | 7 | 4.2 | NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCC(N)CC3)c12)[C@H]1CCCc2cccnc21 | nan | ||
| 4410 | 6381 | 68 | None | -316 | 4 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2017.08.027 | ||
| 4410 | 6381 | 68 | None | -316 | 4 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2023.115492 | ||
| 65015 | 6381 | 68 | None | -316 | 4 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2017.08.027 | ||
| 65015 | 6381 | 68 | None | -316 | 4 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2023.115492 | ||
| 844 | 6381 | 68 | None | -316 | 4 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2017.08.027 | ||
| 844 | 6381 | 68 | None | -316 | 4 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2023.115492 | ||
| CHEMBL18442 | 6381 | 68 | None | -316 | 4 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2017.08.027 | ||
| CHEMBL18442 | 6381 | 68 | None | -316 | 4 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2023.115492 | ||
| DB06809 | 6381 | 68 | None | -316 | 4 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2017.08.027 | ||
| DB06809 | 6381 | 68 | None | -316 | 4 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2023.115492 | ||
| 145951963 | 327498 | 0 | None | 199 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 394 | 6 | 2 | 4 | 3.7 | C/C(CN)=C(/F)CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 | 10.1021/acsmedchemlett.7b00406 | ||
| CHEMBL4175500 | 327498 | 0 | None | 199 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 394 | 6 | 2 | 4 | 3.7 | C/C(CN)=C(/F)CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 | 10.1021/acsmedchemlett.7b00406 | ||
| 25177627 | 121180 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 344 | 7 | 1 | 4 | 3.7 | NCCCCN(Cc1ncccc1Cl)C1CCCc2cccnc21 | 10.1016/j.bmcl.2011.01.021 | ||
| CHEMBL1682866 | 121180 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 344 | 7 | 1 | 4 | 3.7 | NCCCCN(Cc1ncccc1Cl)C1CCCc2cccnc21 | 10.1016/j.bmcl.2011.01.021 | ||
| 89667390 | 279583 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 580 | 10 | 1 | 8 | 4.8 | O=C(Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc43)c21)C1CCOCC1 | nan | ||
| CHEMBL3890057 | 279583 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 580 | 10 | 1 | 8 | 4.8 | O=C(Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc43)c21)C1CCOCC1 | nan | ||
| 59176455 | 292591 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 641 | 11 | 1 | 8 | 5.4 | O=C1c2ccccc2C(=O)N1CCCn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc43)c21 | nan | ||
| CHEMBL3917572 | 292591 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 641 | 11 | 1 | 8 | 5.4 | O=C1c2ccccc2C(=O)N1CCCn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc43)c21 | nan | ||
| 59176424 | 296437 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 581 | 9 | 1 | 8 | 3.6 | O=C(Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc43)c21)N1CCOCC1 | nan | ||
| CHEMBL3948247 | 296437 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 581 | 9 | 1 | 8 | 3.6 | O=C(Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc43)c21)N1CCOCC1 | nan | ||
| 59176442 | 298161 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 594 | 11 | 2 | 8 | 3.6 | O=C1CNCCN1CCCn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc43)c21 | nan | ||
| CHEMBL3962780 | 298161 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 594 | 11 | 2 | 8 | 3.6 | O=C1CNCCN1CCCn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc43)c21 | nan | ||
| 46884785 | 22607 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 359 | 7 | 1 | 4 | 4.5 | N#CCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 | 10.1021/jm100073m | ||
| CHEMBL1092628 | 22607 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 359 | 7 | 1 | 4 | 4.5 | N#CCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 | 10.1021/jm100073m | ||
| 135313919 | 317633 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 404 | 7 | 2 | 5 | 3.1 | c1cnc2c(c1)CCC[C@@H]2N(CCCN1CCNCC1)Cc1nc2ccccc2[nH]1 | 10.1021/acsmedchemlett.8b00030 | ||
| CHEMBL4161613 | 317633 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 404 | 7 | 2 | 5 | 3.1 | c1cnc2c(c1)CCC[C@@H]2N(CCCN1CCNCC1)Cc1nc2ccccc2[nH]1 | 10.1021/acsmedchemlett.8b00030 | ||
| 137647645 | 313545 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 496 | 9 | 2 | 6 | 3.4 | O=S1(=O)CCC(NCCCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 | 10.1021/acs.jmedchem.7b01420 | ||
| CHEMBL4081436 | 313545 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 496 | 9 | 2 | 6 | 3.4 | O=S1(=O)CCC(NCCCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 | 10.1021/acs.jmedchem.7b01420 | ||
| 70924169 | 295283 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 453 | 10 | 2 | 4 | 5.8 | c1cnc2c(c1)CCC[C@@H]2N(CCCCNCC1CC1)Cc1nccc2c1[nH]c1ccccc12 | nan | ||
| CHEMBL3939176 | 295283 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 453 | 10 | 2 | 4 | 5.8 | c1cnc2c(c1)CCC[C@@H]2N(CCCCNCC1CC1)Cc1nccc2c1[nH]c1ccccc12 | nan | ||
| 172455736 | 388488 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 1167 | 37 | 18 | 14 | -2.3 | CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(N)=O | 10.1021/acs.jmedchem.3c01128 | ||
| CHEMBL5417672 | 388488 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 1167 | 37 | 18 | 14 | -2.3 | CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(N)=O | 10.1021/acs.jmedchem.3c01128 | ||
| 172444607 | 387759 | 0 | None | None | None | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 1479 | 48 | 23 | 21 | -4.5 | CC[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CO)C(=O)O | 10.1021/acs.jmedchem.3c01128 | ||
| 172463834 | 387759 | 0 | None | None | None | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 1479 | 48 | 23 | 21 | -4.5 | CC[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CO)C(=O)O | 10.1021/acs.jmedchem.3c01128 | ||
| CHEMBL5403146 | 387759 | 0 | None | None | None | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 1479 | 48 | 23 | 21 | -4.5 | CC[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CO)C(=O)O | 10.1021/acs.jmedchem.3c01128 | ||
| CHEMBL5433597 | 387759 | 0 | None | None | None | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 1479 | 48 | 23 | 21 | -4.5 | CC[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CO)C(=O)O | 10.1021/acs.jmedchem.3c01128 | ||
| 59176428 | 298845 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 489 | 9 | 1 | 5 | 6.3 | NCCCCN(Cc1nccc2c3ccccc3n(Cc3ccccc3)c12)[C@H]1CCCc2cccnc21 | nan | ||
| CHEMBL3968668 | 298845 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 489 | 9 | 1 | 5 | 6.3 | NCCCCN(Cc1nccc2c3ccccc3n(Cc3ccccc3)c12)[C@H]1CCCc2cccnc21 | nan | ||
| 152829285 | 368533 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 420 | 5 | 2 | 6 | 2.7 | CN1CCN(Nc2cccc3c2C[C@@H](CN(C)[C@H]2CCCc4cccnc42)NC3)CC1 | 10.1021/acsmedchemlett.1c00449 | ||
| CHEMBL4858136 | 368533 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 420 | 5 | 2 | 6 | 2.7 | CN1CCN(Nc2cccc3c2C[C@@H](CN(C)[C@H]2CCCc4cccnc42)NC3)CC1 | 10.1021/acsmedchemlett.1c00449 | ||
| 137647643 | 313534 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 546 | 12 | 1 | 6 | 5.7 | c1cncc(CN(CCCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)Cc2cccnc2)c1 | 10.1021/acs.jmedchem.7b01420 | ||
| CHEMBL4081338 | 313534 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 546 | 12 | 1 | 6 | 5.7 | c1cncc(CN(CCCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)Cc2cccnc2)c1 | 10.1021/acs.jmedchem.7b01420 | ||
| 172447516 | 388265 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 1475 | 47 | 23 | 20 | -4.0 | CSCC[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | ||
| 172464691 | 388265 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 1475 | 47 | 23 | 20 | -4.0 | CSCC[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | ||
| 172467966 | 388265 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 1475 | 47 | 23 | 20 | -4.0 | CSCC[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | ||
| CHEMBL5413479 | 388265 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 1475 | 47 | 23 | 20 | -4.0 | CSCC[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | ||
| CHEMBL5432339 | 388265 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 1475 | 47 | 23 | 20 | -4.0 | CSCC[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | ||
| CHEMBL5436512 | 388265 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 1475 | 47 | 23 | 20 | -4.0 | CSCC[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | ||
| 59176397 | 298709 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 490 | 9 | 1 | 6 | 5.6 | NCCCCN(Cc1nccc2c3ccccc3n(Cc3cccnc3)c12)[C@H]1CCCc2cccnc21 | nan | ||
| CHEMBL3967462 | 298709 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 490 | 9 | 1 | 6 | 5.6 | NCCCCN(Cc1nccc2c3ccccc3n(Cc3cccnc3)c12)[C@H]1CCCc2cccnc21 | nan | ||
| 145974804 | 328081 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 350 | 9 | 2 | 4 | 3.0 | C=Cc1cccnc1CN(CCCCN)C[C@H]1Cc2ccccc2CN1 | 10.1021/acsmedchemlett.7b00381 | ||
| CHEMBL4176514 | 328081 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 350 | 9 | 2 | 4 | 3.0 | C=Cc1cccnc1CN(CCCCN)C[C@H]1Cc2ccccc2CN1 | 10.1021/acsmedchemlett.7b00381 | ||
| 4410 | 6381 | 68 | None | -316 | 4 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/acs.jmedchem.3c01128 | ||
| 65015 | 6381 | 68 | None | -316 | 4 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/acs.jmedchem.3c01128 | ||
| 844 | 6381 | 68 | None | -316 | 4 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/acs.jmedchem.3c01128 | ||
| CHEMBL18442 | 6381 | 68 | None | -316 | 4 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/acs.jmedchem.3c01128 | ||
| DB06809 | 6381 | 68 | None | -316 | 4 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/acs.jmedchem.3c01128 | ||
| 53318414 | 121174 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 325 | 7 | 2 | 5 | 2.7 | NCCCCN(Cc1cccc(N)n1)C1CCCc2cccnc21 | 10.1016/j.bmcl.2011.01.021 | ||
| CHEMBL1682860 | 121174 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 325 | 7 | 2 | 5 | 2.7 | NCCCCN(Cc1cccc(N)n1)C1CCCc2cccnc21 | 10.1016/j.bmcl.2011.01.021 | ||
| 59176467 | 298542 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 512 | 10 | 1 | 7 | 4.4 | COCCn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc43)c21 | nan | ||
| CHEMBL3966015 | 298542 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 512 | 10 | 1 | 7 | 4.4 | COCCn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc43)c21 | nan | ||
| 72546063 | 213557 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 445 | 9 | 1 | 6 | 4.1 | NCCCCN(C[C@H]1Cc2ccccc2CN1Cc1cocn1)[C@H]1CCCc2cccnc21 | 10.1021/ml400183q | ||
| CHEMBL3091691 | 213557 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 445 | 9 | 1 | 6 | 4.1 | NCCCCN(C[C@H]1Cc2ccccc2CN1Cc1cocn1)[C@H]1CCCc2cccnc21 | 10.1021/ml400183q | ||
| 25178134 | 348225 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 350 | 4 | 1 | 5 | 3.8 | C1=C(CS/C(=N\C2CCCC2)NC2CCCC2)N2CCN=C2S1 | 10.1021/jm801065q | ||
| CHEMBL454689 | 348225 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 350 | 4 | 1 | 5 | 3.8 | C1=C(CS/C(=N\C2CCCC2)NC2CCCC2)N2CCN=C2S1 | 10.1021/jm801065q | ||
| 145955745 | 318049 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 509 | 6 | 2 | 5 | 4.7 | FC1(F)CCC(CN(C[C@H]2Cc3c(cccc3N3CCNCC3)CN2)[C@H]2CCCc3cccnc32)CC1 | 10.1021/acs.jmedchem.8b00450 | ||
| CHEMBL4168418 | 318049 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 509 | 6 | 2 | 5 | 4.7 | FC1(F)CCC(CN(C[C@H]2Cc3c(cccc3N3CCNCC3)CN2)[C@H]2CCCc3cccnc32)CC1 | 10.1021/acs.jmedchem.8b00450 | ||
| 11256587 | 5001 | 42 | None | 389 | 4 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 349 | 7 | 2 | 4 | 3.6 | NCCCCN([C@H]1CCCc2c1nccc2)Cc1nc2c([nH]1)cccc2 | 10.1021/acsmedchemlett.8b00030 | ||
| 8580 | 5001 | 42 | None | 389 | 4 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 349 | 7 | 2 | 4 | 3.6 | NCCCCN([C@H]1CCCc2c1nccc2)Cc1nc2c([nH]1)cccc2 | 10.1021/acsmedchemlett.8b00030 | ||
| CHEMBL518924 | 5001 | 42 | None | 389 | 4 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 349 | 7 | 2 | 4 | 3.6 | NCCCCN([C@H]1CCCc2c1nccc2)Cc1nc2c([nH]1)cccc2 | 10.1021/acsmedchemlett.8b00030 | ||
| DB05501 | 5001 | 42 | None | 389 | 4 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 349 | 7 | 2 | 4 | 3.6 | NCCCCN([C@H]1CCCc2c1nccc2)Cc1nc2c([nH]1)cccc2 | 10.1021/acsmedchemlett.8b00030 | ||
| 53320374 | 119692 | 0 | None | None | None | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 427 | 7 | 2 | 5 | 4.5 | COc1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)c(CN)c1 | 10.1016/j.bmcl.2010.11.023 | ||
| CHEMBL1644072 | 119692 | 0 | None | None | None | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 427 | 7 | 2 | 5 | 4.5 | COc1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)c(CN)c1 | 10.1016/j.bmcl.2010.11.023 | ||
| 53316607 | 119699 | 0 | None | None | None | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 454 | 8 | 2 | 6 | 4.5 | CO/N=C/c1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)c(CN)c1 | 10.1016/j.bmcl.2010.11.023 | ||
| CHEMBL1644079 | 119699 | 0 | None | None | None | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 454 | 8 | 2 | 6 | 4.5 | CO/N=C/c1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)c(CN)c1 | 10.1016/j.bmcl.2010.11.023 | ||
| 59176450 | 291958 | 0 | None | None | None | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 511 | 10 | 2 | 7 | 4.1 | NCCCn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc43)c21 | nan | ||
| CHEMBL3912613 | 291958 | 0 | None | None | None | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 511 | 10 | 2 | 7 | 4.1 | NCCCn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc43)c21 | nan | ||
| 11256587 | 5001 | 42 | None | 389 | 4 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 349 | 7 | 2 | 4 | 3.6 | NCCCCN([C@H]1CCCc2c1nccc2)Cc1nc2c([nH]1)cccc2 | 10.1021/acsmedchemlett.1c00449 | ||
| 8580 | 5001 | 42 | None | 389 | 4 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 349 | 7 | 2 | 4 | 3.6 | NCCCCN([C@H]1CCCc2c1nccc2)Cc1nc2c([nH]1)cccc2 | 10.1021/acsmedchemlett.1c00449 | ||
| CHEMBL518924 | 5001 | 42 | None | 389 | 4 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 349 | 7 | 2 | 4 | 3.6 | NCCCCN([C@H]1CCCc2c1nccc2)Cc1nc2c([nH]1)cccc2 | 10.1021/acsmedchemlett.1c00449 | ||
| DB05501 | 5001 | 42 | None | 389 | 4 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 349 | 7 | 2 | 4 | 3.6 | NCCCCN([C@H]1CCCc2c1nccc2)Cc1nc2c([nH]1)cccc2 | 10.1021/acsmedchemlett.1c00449 | ||
| 25178563 | 348303 | 0 | None | None | None | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 434 | 4 | 1 | 5 | 6.2 | C1=C(CS/C(=N\C2CCCCCCC2)NC2CCCCCCC2)N2CCN=C2S1 | 10.1021/jm801065q | ||
| CHEMBL454896 | 348303 | 0 | None | None | None | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 434 | 4 | 1 | 5 | 6.2 | C1=C(CS/C(=N\C2CCCCCCC2)NC2CCCCCCC2)N2CCN=C2S1 | 10.1021/jm801065q | ||
| 23653628 | 136145 | 0 | None | None | None | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 562 | 11 | 2 | 9 | 3.4 | CCOCCN1CCN(C(=O)c2cnc(NCc3ccc(CNc4ncc(F)cn4)cc3)nc2C(F)(F)F)CC1 | 10.1021/jm100786g | ||
| CHEMBL1802329 | 136145 | 0 | None | None | None | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 562 | 11 | 2 | 9 | 3.4 | CCOCCN1CCN(C(=O)c2cnc(NCc3ccc(CNc4ncc(F)cn4)cc3)nc2C(F)(F)F)CC1 | 10.1021/jm100786g | ||
| 145953403 | 318004 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 459 | 8 | 1 | 5 | 3.6 | c1ccc2c(c1)CN[C@@H](CN(CCCN1CCN(C3CC3)CC1)[C@H]1CCCc3cccnc31)C2 | 10.1021/acsmedchemlett.8b00030 | ||
| CHEMBL4167654 | 318004 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 459 | 8 | 1 | 5 | 3.6 | c1ccc2c(c1)CN[C@@H](CN(CCCN1CCN(C3CC3)CC1)[C@H]1CCCc3cccnc31)C2 | 10.1021/acsmedchemlett.8b00030 | ||
| 177379331 | 392781 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 974 | 20 | 16 | 12 | -3.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CNC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116669 | ||
| CHEMBL5613155 | 392781 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 974 | 20 | 16 | 12 | -3.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CNC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116669 | ||
| 21984983 | 22670 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 397 | 6 | 2 | 4 | 4.5 | NCc1ccccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 | 10.1021/jm100073m | ||
| CHEMBL1093008 | 22670 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 397 | 6 | 2 | 4 | 4.5 | NCc1ccccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 | 10.1021/jm100073m | ||
| 25147749 | 4280 | 21 | None | -26 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 406 | 4 | 1 | 5 | 5.4 | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 | 10.1016/j.ejmech.2018.10.060 | ||
| 2899 | 4280 | 21 | None | -26 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 406 | 4 | 1 | 5 | 5.4 | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 | 10.1016/j.ejmech.2018.10.060 | ||
| CHEMBL460491 | 4280 | 21 | None | -26 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 406 | 4 | 1 | 5 | 5.4 | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 | 10.1016/j.ejmech.2018.10.060 | ||
| CHEMBL2372997 | 485929 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 2052 | 46 | 31 | 27 | -7.3 | NCCCC[C@H]1NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=O)NC1=O | 10.1016/s0960-894x(01)00323-7 | ||
| 137647336 | 313862 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 412 | 6 | 2 | 4 | 4.1 | NCc1ccccc1CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 | 10.1021/acs.jmedchem.7b01420 | ||
| CHEMBL4084920 | 313862 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 412 | 6 | 2 | 4 | 4.1 | NCc1ccccc1CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 | 10.1021/acs.jmedchem.7b01420 | ||
| CHEMBL1956255 | 485004 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 713 | 12 | 11 | 7 | -0.8 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1016/j.bmcl.2012.01.134 | ||
| 21985149 | 119691 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 465 | 6 | 2 | 4 | 5.5 | NCc1cc(C(F)(F)F)ccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 | 10.1016/j.bmcl.2010.11.023 | ||
| CHEMBL1644071 | 119691 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 465 | 6 | 2 | 4 | 5.5 | NCc1cc(C(F)(F)F)ccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 | 10.1016/j.bmcl.2010.11.023 | ||
| 135314362 | 317911 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 365 | 5 | 2 | 5 | 1.9 | Cc1ccc(CN(C)C[C@H]2Cc3c(cccc3N3CCNCC3)CN2)nc1 | 10.1021/acs.jmedchem.8b00450 | ||
| CHEMBL4166081 | 317911 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 365 | 5 | 2 | 5 | 1.9 | Cc1ccc(CN(C)C[C@H]2Cc3c(cccc3N3CCNCC3)CN2)nc1 | 10.1021/acs.jmedchem.8b00450 | ||
| 70923310 | 309308 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 490 | 10 | 2 | 5 | 6.0 | c1ccc(CNCCCCN(Cc2nccc3c2[nH]c2ccccc23)C2CCCc3cccnc32)nc1 | nan | ||
| CHEMBL3976878 | 309308 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 490 | 10 | 2 | 5 | 6.0 | c1ccc(CNCCCCN(Cc2nccc3c2[nH]c2ccccc23)C2CCCc3cccnc32)nc1 | nan | ||
| 46204209 | 22600 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 363 | 8 | 2 | 4 | 4.0 | NCCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 | 10.1021/jm100073m | ||
| CHEMBL1092596 | 22600 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 363 | 8 | 2 | 4 | 4.0 | NCCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 | 10.1021/jm100073m | ||
| 137640474 | 312997 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 462 | 10 | 2 | 5 | 4.3 | c1ccc2c(c1)CN[C@@H](CN(CCCCNCC1CCOCC1)[C@H]1CCCc3cccnc31)C2 | 10.1021/acs.jmedchem.7b01420 | ||
| CHEMBL4074366 | 312997 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 462 | 10 | 2 | 5 | 4.3 | c1ccc2c(c1)CN[C@@H](CN(CCCCNCC1CCOCC1)[C@H]1CCCc3cccnc31)C2 | 10.1021/acs.jmedchem.7b01420 | ||
| 25178347 | 350726 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 372 | 4 | 1 | 5 | 4.8 | C1=C(CS/C(=N\C2CCCCC2)Nc2ccccc2)N2CCN=C2S1 | 10.1021/jm801065q | ||
| CHEMBL460482 | 350726 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 372 | 4 | 1 | 5 | 4.8 | C1=C(CS/C(=N\C2CCCCC2)Nc2ccccc2)N2CCN=C2S1 | 10.1021/jm801065q | ||
| 53322385 | 121171 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 324 | 7 | 1 | 4 | 3.4 | Cc1cccc(CN(CCCCN)C2CCCc3cccnc32)n1 | 10.1016/j.bmcl.2011.01.021 | ||
| CHEMBL1682857 | 121171 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 324 | 7 | 1 | 4 | 3.4 | Cc1cccc(CN(CCCCN)C2CCCc3cccnc32)n1 | 10.1016/j.bmcl.2011.01.021 | ||
| 162669065 | 366124 | 0 | None | None | None | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 750 | 19 | 5 | 11 | 2.5 | CNC(=O)COCC(=O)NCCCCNC(=O)COCC(=O)NC[C@H]1CC[C@H](/N=C(\NC2CCCCC2)SCC2=CSC3=NC(C)(C)CN23)CC1 | 10.1021/acsmedchemlett.0c00444 | ||
| CHEMBL4789939 | 366124 | 0 | None | None | None | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 750 | 19 | 5 | 11 | 2.5 | CNC(=O)COCC(=O)NCCCCNC(=O)COCC(=O)NC[C@H]1CC[C@H](/N=C(\NC2CCCCC2)SCC2=CSC3=NC(C)(C)CN23)CC1 | 10.1021/acsmedchemlett.0c00444 | ||
| 145953739 | 318154 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 447 | 7 | 0 | 5 | 3.5 | CN1CCN(CCCN(C[C@H]2Cc3ccccc3CN2C)[C@H]2CCCc3cccnc32)CC1 | 10.1021/acsmedchemlett.8b00030 | ||
| CHEMBL4170141 | 318154 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 447 | 7 | 0 | 5 | 3.5 | CN1CCN(CCCN(C[C@H]2Cc3ccccc3CN2C)[C@H]2CCCc3cccnc32)CC1 | 10.1021/acsmedchemlett.8b00030 | ||
| 137633431 | 312462 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 464 | 9 | 2 | 5 | 4.7 | c1ccc2c(c1)CN[C@@H](CN(CCCCNC1CCSCC1)[C@H]1CCCc3cccnc31)C2 | 10.1021/acs.jmedchem.7b01420 | ||
| CHEMBL4068122 | 312462 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 464 | 9 | 2 | 5 | 4.7 | c1ccc2c(c1)CN[C@@H](CN(CCCCNC1CCSCC1)[C@H]1CCCc3cccnc31)C2 | 10.1021/acs.jmedchem.7b01420 | ||
| 137644813 | 313983 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 502 | 9 | 2 | 4 | 6.5 | CC1(C)CCC(NCC(C)(C)CCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 | 10.1021/acs.jmedchem.7b01420 | ||
| CHEMBL4086662 | 313983 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 502 | 9 | 2 | 4 | 6.5 | CC1(C)CCC(NCC(C)(C)CCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 | 10.1021/acs.jmedchem.7b01420 | ||
| 70924198 | 279925 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 511 | 10 | 2 | 7 | 4.1 | NCCCCN(Cc1nccc2c3ccccc3n(CCN3CCNCC3)c12)[C@H]1CCCc2cccnc21 | nan | ||
| CHEMBL3892756 | 279925 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 511 | 10 | 2 | 7 | 4.1 | NCCCCN(Cc1nccc2c3ccccc3n(CCN3CCNCC3)c12)[C@H]1CCCc2cccnc21 | nan | ||
| 155550367 | 348346 | 0 | None | -1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 472 | 8 | 1 | 6 | 6.4 | CCCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)c1nc2cc(Cl)c(C)cc2o1 | 10.1016/j.bmc.2019.115091 | ||
| CHEMBL4549880 | 348346 | 0 | None | -1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 472 | 8 | 1 | 6 | 6.4 | CCCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)c1nc2cc(Cl)c(C)cc2o1 | 10.1016/j.bmc.2019.115091 | ||
| 145953342 | 317934 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 405 | 6 | 2 | 5 | 2.4 | c1ccc2c(c1)CN[C@@H](CN(CCN1CCNCC1)[C@H]1CCCc3cccnc31)C2 | 10.1021/acsmedchemlett.8b00030 | ||
| CHEMBL4166456 | 317934 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 405 | 6 | 2 | 5 | 2.4 | c1ccc2c(c1)CN[C@@H](CN(CCN1CCNCC1)[C@H]1CCCc3cccnc31)C2 | 10.1021/acsmedchemlett.8b00030 | ||
| 72545830 | 213554 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 455 | 9 | 1 | 5 | 4.5 | NCCCCN(C[C@H]1Cc2ccccc2CN1Cc1ccccn1)[C@H]1CCCc2cccnc21 | 10.1021/ml400183q | ||
| CHEMBL3091688 | 213554 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 455 | 9 | 1 | 5 | 4.5 | NCCCCN(C[C@H]1Cc2ccccc2CN1Cc1ccccn1)[C@H]1CCCc2cccnc21 | 10.1021/ml400183q | ||
| 72535480 | 294046 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 498 | 9 | 2 | 7 | 3.8 | OCCn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)C3CCCc4cccnc43)c21 | nan | ||
| CHEMBL3929341 | 294046 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 498 | 9 | 2 | 7 | 3.8 | OCCn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)C3CCCc4cccnc43)c21 | nan | ||
| 59176449 | 297024 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 498 | 9 | 2 | 7 | 3.8 | OCCn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc43)c21 | nan | ||
| CHEMBL3953230 | 297024 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 498 | 9 | 2 | 7 | 3.8 | OCCn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc43)c21 | nan | ||
| 155538284 | 336920 | 0 | None | -1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 438 | 9 | 1 | 6 | 5.9 | CCCCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)c1nc2ccccc2o1 | 10.1016/j.bmc.2019.115091 | ||
| CHEMBL4476545 | 336920 | 0 | None | -1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 438 | 9 | 1 | 6 | 5.9 | CCCCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)c1nc2ccccc2o1 | 10.1016/j.bmc.2019.115091 | ||
| 70924218 | 293096 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 417 | 7 | 2 | 4 | 4.9 | NCCCCN(Cc1nccc2c1[nH]c1cc(F)ccc12)C1CCCc2cccnc21 | nan | ||
| CHEMBL3921613 | 293096 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 417 | 7 | 2 | 4 | 4.9 | NCCCCN(Cc1nccc2c1[nH]c1cc(F)ccc12)C1CCCc2cccnc21 | nan | ||
| 172447516 | 388265 | 0 | None | None | None | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 1475 | 47 | 23 | 20 | -4.0 | CSCC[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | ||
| 172464691 | 388265 | 0 | None | None | None | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 1475 | 47 | 23 | 20 | -4.0 | CSCC[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | ||
| 172467966 | 388265 | 0 | None | None | None | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 1475 | 47 | 23 | 20 | -4.0 | CSCC[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | ||
| CHEMBL5413479 | 388265 | 0 | None | None | None | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 1475 | 47 | 23 | 20 | -4.0 | CSCC[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | ||
| CHEMBL5432339 | 388265 | 0 | None | None | None | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 1475 | 47 | 23 | 20 | -4.0 | CSCC[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | ||
| CHEMBL5436512 | 388265 | 0 | None | None | None | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 1475 | 47 | 23 | 20 | -4.0 | CSCC[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | ||
| 25178766 | 372949 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 392 | 4 | 1 | 5 | 5.0 | C1=C(CS/C(=N\C2CCCCC2)NC2CCCCC2)N2CCCN=C2S1 | 10.1021/jm801065q | ||
| CHEMBL516630 | 372949 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 392 | 4 | 1 | 5 | 5.0 | C1=C(CS/C(=N\C2CCCCC2)NC2CCCCC2)N2CCCN=C2S1 | 10.1021/jm801065q | ||
| 59176510 | 295565 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 413 | 7 | 1 | 5 | 4.7 | Cn1c2ccccc2c2cc(CN(CCCCN)[C@H]3CCCc4cccnc43)ncc21 | nan | ||
| CHEMBL3941582 | 295565 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 413 | 7 | 1 | 5 | 4.7 | Cn1c2ccccc2c2cc(CN(CCCCN)[C@H]3CCCc4cccnc43)ncc21 | nan | ||
| 72546064 | 213558 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 491 | 9 | 1 | 6 | 2.8 | NCCCCN(C[C@H]1Cc2ccccc2CN1CC(=O)N1CCOCC1)[C@H]1CCCc2cccnc21 | 10.1021/ml400183q | ||
| CHEMBL3091692 | 213558 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 491 | 9 | 1 | 6 | 2.8 | NCCCCN(C[C@H]1Cc2ccccc2CN1CC(=O)N1CCOCC1)[C@H]1CCCc2cccnc21 | 10.1021/ml400183q | ||
| 60202207 | 217132 | 0 | None | None | None | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 454 | 8 | 1 | 6 | 4.0 | COc1ccc(CN2C3CCCC2CC(NC(=O)c2cc(OC)c(OC)c(OC)c2)C3)cc1 | nan | ||
| CHEMBL3185809 | 217132 | 0 | None | None | None | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 454 | 8 | 1 | 6 | 4.0 | COc1ccc(CN2C3CCCC2CC(NC(=O)c2cc(OC)c(OC)c(OC)c2)C3)cc1 | nan | ||
| 135313789 | 317609 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 374 | 8 | 2 | 4 | 3.5 | NCCCCN(Cc1ccc2ccccc2n1)C[C@H]1Cc2ccccc2CN1 | 10.1021/acsmedchemlett.7b00381 | ||
| CHEMBL4161263 | 317609 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 374 | 8 | 2 | 4 | 3.5 | NCCCCN(Cc1ccc2ccccc2n1)C[C@H]1Cc2ccccc2CN1 | 10.1021/acsmedchemlett.7b00381 | ||
| 135314251 | 313601 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 453 | 9 | 2 | 5 | 4.2 | C(=C/CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21)\CNCc1ccccn1 | 10.1021/acs.jmedchem.7b01420 | ||
| CHEMBL4081958 | 313601 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 453 | 9 | 2 | 5 | 4.2 | C(=C/CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21)\CNCc1ccccn1 | 10.1021/acs.jmedchem.7b01420 | ||
| 59176494 | 279976 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 500 | 10 | 1 | 7 | 3.5 | Cc1cccnc1CN(CCCCN)Cc1nccc2c3ccccc3n(CC(=O)N3CCOCC3)c12 | nan | ||
| CHEMBL3893083 | 279976 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 500 | 10 | 1 | 7 | 3.5 | Cc1cccnc1CN(CCCCN)Cc1nccc2c3ccccc3n(CC(=O)N3CCOCC3)c12 | nan | ||
| 59176557 | 293605 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 568 | 9 | 1 | 8 | 5.1 | CC(C)(C)OC(=O)Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc43)c21 | nan | ||
| CHEMBL3925646 | 293605 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 568 | 9 | 1 | 8 | 5.1 | CC(C)(C)OC(=O)Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc43)c21 | nan | ||
| 1098331 | 387897 | 8 | None | -1 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 372 | 4 | 1 | 7 | 3.0 | COc1cc(NS(=O)(=O)c2cccc3nsnc23)c2ncccc2c1 | 10.1016/j.ejmech.2023.115175 | ||
| CHEMBL5405836 | 387897 | 8 | None | -1 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 372 | 4 | 1 | 7 | 3.0 | COc1cc(NS(=O)(=O)c2cccc3nsnc23)c2ncccc2c1 | 10.1016/j.ejmech.2023.115175 | ||
| 145950272 | 318227 | 0 | None | None | None | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 366 | 7 | 2 | 5 | 2.7 | NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCOc2cccnc21 | 10.1021/acsmedchemlett.7b00381 | ||
| CHEMBL4171469 | 318227 | 0 | None | None | None | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 366 | 7 | 2 | 5 | 2.7 | NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCOc2cccnc21 | 10.1021/acsmedchemlett.7b00381 | ||
| 57345320 | 8342 | 12 | None | 34 | 7 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/acsmedchemlett.8b00030 | ||
| 9882 | 8342 | 12 | None | 34 | 7 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/acsmedchemlett.8b00030 | ||
| CHEMBL3091687 | 8342 | 12 | None | 34 | 7 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/acsmedchemlett.8b00030 | ||
| 57343752 | 251953 | 0 | None | None | None | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 421 | 8 | 2 | 5 | 2.6 | NCCCCN(C[C@@H]1CN(C(=O)c2ccccc2)CCN1)[C@H]1CCCc2cccnc21 | 10.1016/j.bmcl.2015.04.036 | ||
| CHEMBL3627794 | 251953 | 0 | None | None | None | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 421 | 8 | 2 | 5 | 2.6 | NCCCCN(C[C@@H]1CN(C(=O)c2ccccc2)CCN1)[C@H]1CCCc2cccnc21 | 10.1016/j.bmcl.2015.04.036 | ||
| 145950976 | 327486 | 0 | None | None | None | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 391 | 4 | 2 | 5 | 2.5 | CN(C[C@H]1Cc2c(cccc2N2CCNCC2)CN1)[C@H]1CCCc2cccnc21 | 10.1021/acs.jmedchem.8b00450 | ||
| CHEMBL4172669 | 327486 | 0 | None | None | None | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 391 | 4 | 2 | 5 | 2.5 | CN(C[C@H]1Cc2c(cccc2N2CCNCC2)CN1)[C@H]1CCCc2cccnc21 | 10.1021/acs.jmedchem.8b00450 | ||
| 4410 | 6381 | 68 | None | -316 | 4 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2019.111914 | ||
| 65015 | 6381 | 68 | None | -316 | 4 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2019.111914 | ||
| 844 | 6381 | 68 | None | -316 | 4 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2019.111914 | ||
| CHEMBL18442 | 6381 | 68 | None | -316 | 4 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2019.111914 | ||
| DB06809 | 6381 | 68 | None | -316 | 4 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2019.111914 | ||
| 4410 | 6381 | 68 | None | -316 | 4 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2020.112537 | ||
| 65015 | 6381 | 68 | None | -316 | 4 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2020.112537 | ||
| 844 | 6381 | 68 | None | -316 | 4 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2020.112537 | ||
| CHEMBL18442 | 6381 | 68 | None | -316 | 4 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2020.112537 | ||
| DB06809 | 6381 | 68 | None | -316 | 4 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2020.112537 | ||
| 57345320 | 8342 | 12 | None | 34 | 7 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/acs.jmedchem.8b00450 | ||
| 9882 | 8342 | 12 | None | 34 | 7 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/acs.jmedchem.8b00450 | ||
| CHEMBL3091687 | 8342 | 12 | None | 34 | 7 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/acs.jmedchem.8b00450 | ||
| 57345320 | 8342 | 12 | None | 34 | 7 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/acsmedchemlett.1c00449 | ||
| 9882 | 8342 | 12 | None | 34 | 7 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/acsmedchemlett.1c00449 | ||
| CHEMBL3091687 | 8342 | 12 | None | 34 | 7 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/acsmedchemlett.1c00449 | ||
| 57345320 | 8342 | 12 | None | 34 | 7 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/acs.jmedchem.7b01420 | ||
| 9882 | 8342 | 12 | None | 34 | 7 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/acs.jmedchem.7b01420 | ||
| CHEMBL3091687 | 8342 | 12 | None | 34 | 7 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/acs.jmedchem.7b01420 | ||
| 145956824 | 317757 | 0 | None | 1412 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 376 | 6 | 2 | 4 | 3.1 | NCC1CC1CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 | 10.1021/acsmedchemlett.7b00406 | ||
| CHEMBL4163770 | 317757 | 0 | None | 1412 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 376 | 6 | 2 | 4 | 3.1 | NCC1CC1CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 | 10.1021/acsmedchemlett.7b00406 | ||
| 25178138 | 388458 | 0 | None | None | None | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 392 | 4 | 1 | 5 | 5.0 | C1=C(CS/C(=N\C2CCCCC2)NC2CCCCCC2)N2CCN=C2S1 | 10.1021/jm801065q | ||
| CHEMBL541728 | 388458 | 0 | None | None | None | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 392 | 4 | 1 | 5 | 5.0 | C1=C(CS/C(=N\C2CCCCC2)NC2CCCCCC2)N2CCN=C2S1 | 10.1021/jm801065q | ||
| 11718722 | 40540 | 12 | None | -1 | 4 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 420 | 5 | 1 | 7 | 2.5 | CN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)c(CO)n23)CC1 | 10.1128/aac.01293-09 | ||
| CHEMBL1242210 | 40540 | 12 | None | -1 | 4 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 420 | 5 | 1 | 7 | 2.5 | CN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)c(CO)n23)CC1 | 10.1128/aac.01293-09 | ||
| 53319240 | 119704 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 403 | 6 | 2 | 5 | 4.6 | NCc1sccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 | 10.1016/j.bmcl.2010.11.023 | ||
| CHEMBL1644085 | 119704 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 403 | 6 | 2 | 5 | 4.6 | NCc1sccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 | 10.1016/j.bmcl.2010.11.023 | ||
| 135313574 | 315137 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 503 | 9 | 2 | 5 | 5.4 | c1cncc(CNCc2ccc(CN(C[C@H]3Cc4ccccc4CN3)[C@H]3CCCc4cccnc43)cc2)c1 | 10.1021/acs.jmedchem.7b01420 | ||
| CHEMBL4099550 | 315137 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 503 | 9 | 2 | 5 | 5.4 | c1cncc(CNCc2ccc(CN(C[C@H]3Cc4ccccc4CN3)[C@H]3CCCc4cccnc43)cc2)c1 | 10.1021/acs.jmedchem.7b01420 | ||
| 70887131 | 328868 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 346 | 4 | 3 | 3 | 4.0 | O=C(NCCc1ccc2c(n1)NCCC2)Nc1cccc2ccccc12 | 10.1016/j.ejmech.2018.02.043 | ||
| CHEMBL4207204 | 328868 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 346 | 4 | 3 | 3 | 4.0 | O=C(NCCc1ccc2c(n1)NCCC2)Nc1cccc2ccccc12 | 10.1016/j.ejmech.2018.02.043 | ||
| 70887095 | 329242 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 364 | 4 | 3 | 3 | 3.8 | O=C(NCCc1ccc2c(n1)NCCC2)Nc1ccc(C(F)(F)F)cc1 | 10.1016/j.ejmech.2018.02.043 | ||
| CHEMBL4212087 | 329242 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 364 | 4 | 3 | 3 | 3.8 | O=C(NCCc1ccc2c(n1)NCCC2)Nc1ccc(C(F)(F)F)cc1 | 10.1016/j.ejmech.2018.02.043 | ||
| 60202254 | 217154 | 8 | None | None | None | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 501 | 8 | 2 | 6 | 4.1 | COc1cc(C(=O)NC2CC3CCCC(C2)N3CC(=O)Nc2ccccc2Cl)cc(OC)c1OC | nan | ||
| CHEMBL3186994 | 217154 | 8 | None | None | None | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 501 | 8 | 2 | 6 | 4.1 | COc1cc(C(=O)NC2CC3CCCC(C2)N3CC(=O)Nc2ccccc2Cl)cc(OC)c1OC | nan | ||
| 145959142 | 317559 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 419 | 4 | 2 | 5 | 3.3 | C[C@H]1CN(c2cccc3c2C[C@H](CN(C)[C@H]2CCCc4cccnc42)NC3)C[C@@H](C)N1 | 10.1021/acs.jmedchem.8b00450 | ||
| CHEMBL4160496 | 317559 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 419 | 4 | 2 | 5 | 3.3 | C[C@H]1CN(c2cccc3c2C[C@H](CN(C)[C@H]2CCCc4cccnc42)NC3)C[C@@H](C)N1 | 10.1021/acs.jmedchem.8b00450 | ||
| 59176434 | 296397 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 558 | 9 | 1 | 7 | 3.8 | NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CC[S+]([O-])CC3)c12)[C@H]1CCCc2cccnc21 | nan | ||
| CHEMBL3947926 | 296397 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 558 | 9 | 1 | 7 | 3.8 | NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CC[S+]([O-])CC3)c12)[C@H]1CCCc2cccnc21 | nan | ||
| 135313576 | 318037 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 338 | 8 | 2 | 4 | 2.9 | C[C@@H](c1ccccn1)N(CCCCN)C[C@H]1Cc2ccccc2CN1 | 10.1021/acsmedchemlett.7b00381 | ||
| CHEMBL4168126 | 318037 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 338 | 8 | 2 | 4 | 2.9 | C[C@@H](c1ccccn1)N(CCCCN)C[C@H]1Cc2ccccc2CN1 | 10.1021/acsmedchemlett.7b00381 | ||
| 145963537 | 317533 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 461 | 8 | 1 | 5 | 3.9 | CC(C)N1CCN(CCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 | 10.1021/acsmedchemlett.8b00030 | ||
| CHEMBL4159991 | 317533 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 461 | 8 | 1 | 5 | 3.9 | CC(C)N1CCN(CCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 | 10.1021/acsmedchemlett.8b00030 | ||
| 4410 | 6381 | 68 | None | -316 | 4 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2022.114150 | ||
| 65015 | 6381 | 68 | None | -316 | 4 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2022.114150 | ||
| 844 | 6381 | 68 | None | -316 | 4 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2022.114150 | ||
| CHEMBL18442 | 6381 | 68 | None | -316 | 4 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2022.114150 | ||
| DB06809 | 6381 | 68 | None | -316 | 4 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2022.114150 | ||
| 59176438 | 296528 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 595 | 9 | 0 | 8 | 4.0 | CN1CCN(CCCN(Cc2nccc3c4ccccc4n(CC(=O)N4CCOCC4)c23)[C@H]2CCCc3cccnc32)CC1 | nan | ||
| CHEMBL3949024 | 296528 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 595 | 9 | 0 | 8 | 4.0 | CN1CCN(CCCN(Cc2nccc3c4ccccc4n(CC(=O)N4CCOCC4)c23)[C@H]2CCCc3cccnc32)CC1 | nan | ||
| 53319746 | 121178 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 352 | 8 | 1 | 4 | 4.2 | CC(C)c1cccnc1CN(CCCCN)C1CCCc2cccnc21 | 10.1016/j.bmcl.2011.01.021 | ||
| CHEMBL1682864 | 121178 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 352 | 8 | 1 | 4 | 4.2 | CC(C)c1cccnc1CN(CCCCN)C1CCCc2cccnc21 | 10.1016/j.bmcl.2011.01.021 | ||
| 70924198 | 279925 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 511 | 10 | 2 | 7 | 4.1 | NCCCCN(Cc1nccc2c3ccccc3n(CCN3CCNCC3)c12)[C@H]1CCCc2cccnc21 | nan | ||
| CHEMBL3892756 | 279925 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 511 | 10 | 2 | 7 | 4.1 | NCCCCN(Cc1nccc2c3ccccc3n(CCN3CCNCC3)c12)[C@H]1CCCc2cccnc21 | nan | ||
| 137641652 | 314203 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 447 | 9 | 3 | 5 | 3.6 | c1ccc2c(c1)CN[C@@H](CN(CCCCNC1CCNCC1)[C@H]1CCCc3cccnc31)C2 | 10.1021/acs.jmedchem.7b01420 | ||
| CHEMBL4089307 | 314203 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 447 | 9 | 3 | 5 | 3.6 | c1ccc2c(c1)CN[C@@H](CN(CCCCNC1CCNCC1)[C@H]1CCCc3cccnc31)C2 | 10.1021/acs.jmedchem.7b01420 | ||
| 135314326 | 317662 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 358 | 8 | 2 | 4 | 3.0 | NCCCCN(Cc1ccc(Cl)cn1)C[C@H]1Cc2ccccc2CN1 | 10.1021/acsmedchemlett.7b00381 | ||
| CHEMBL4162203 | 317662 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 358 | 8 | 2 | 4 | 3.0 | NCCCCN(Cc1ccc(Cl)cn1)C[C@H]1Cc2ccccc2CN1 | 10.1021/acsmedchemlett.7b00381 | ||
| 135314329 | 315055 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 472 | 8 | 2 | 4 | 5.6 | CC1(C)CCC(NC/C=C/CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 | 10.1021/acs.jmedchem.7b01420 | ||
| CHEMBL4098635 | 315055 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 472 | 8 | 2 | 4 | 5.6 | CC1(C)CCC(NC/C=C/CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 | 10.1021/acs.jmedchem.7b01420 | ||
| 145957365 | 317498 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 390 | 5 | 2 | 4 | 3.5 | c1ccc2c(c1)CN[C@@H](CN(CC1CCNCC1)[C@H]1CCCc3cccnc31)C2 | 10.1021/acsmedchemlett.8b00030 | ||
| CHEMBL4159410 | 317498 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 390 | 5 | 2 | 4 | 3.5 | c1ccc2c(c1)CN[C@@H](CN(CC1CCNCC1)[C@H]1CCCc3cccnc31)C2 | 10.1021/acsmedchemlett.8b00030 | ||
| 145958093 | 317480 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 433 | 8 | 2 | 5 | 3.2 | c1ccc2c(c1)CN[C@@H](CN(CCCCN1CCNCC1)[C@H]1CCCc3cccnc31)C2 | 10.1021/acsmedchemlett.8b00030 | ||
| CHEMBL4159150 | 317480 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 433 | 8 | 2 | 5 | 3.2 | c1ccc2c(c1)CN[C@@H](CN(CCCCN1CCNCC1)[C@H]1CCCc3cccnc31)C2 | 10.1021/acsmedchemlett.8b00030 | ||
| 25177629 | 121221 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 298 | 8 | 1 | 4 | 3.1 | Cc1ccc(CN(CCCCN)C(C)c2ccccn2)nc1 | 10.1016/j.bmcl.2011.01.021 | ||
| CHEMBL1682990 | 121221 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 298 | 8 | 1 | 4 | 3.1 | Cc1ccc(CN(CCCCN)C(C)c2ccccn2)nc1 | 10.1016/j.bmcl.2011.01.021 | ||
| 72546062 | 213556 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 455 | 9 | 1 | 5 | 4.5 | NCCCCN(C[C@H]1Cc2ccccc2CN1Cc1ccncc1)[C@H]1CCCc2cccnc21 | 10.1021/ml400183q | ||
| CHEMBL3091690 | 213556 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 455 | 9 | 1 | 5 | 4.5 | NCCCCN(C[C@H]1Cc2ccccc2CN1Cc1ccncc1)[C@H]1CCCc2cccnc21 | 10.1021/ml400183q | ||
| 135313618 | 311890 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 522 | 8 | 2 | 4 | 6.7 | CC1(C)CCC(NCc2ccc(CN(C[C@H]3Cc4ccccc4CN3)[C@H]3CCCc4cccnc43)cc2)CC1 | 10.1021/acs.jmedchem.7b01420 | ||
| CHEMBL4061381 | 311890 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 522 | 8 | 2 | 4 | 6.7 | CC1(C)CCC(NCc2ccc(CN(C[C@H]3Cc4ccccc4CN3)[C@H]3CCCc4cccnc43)cc2)CC1 | 10.1021/acs.jmedchem.7b01420 | ||
| 70924083 | 292017 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 525 | 9 | 2 | 7 | 3.6 | NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCNCC3)c12)[C@H]1CCCc2cccnc21 | nan | ||
| CHEMBL3913028 | 292017 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 525 | 9 | 2 | 7 | 3.6 | NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCNCC3)c12)[C@H]1CCCc2cccnc21 | nan | ||
| 137644335 | 313988 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 546 | 12 | 1 | 6 | 5.7 | c1ccc(CN(CCCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)Cc2ccccn2)nc1 | 10.1021/acs.jmedchem.7b01420 | ||
| CHEMBL4086739 | 313988 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 546 | 12 | 1 | 6 | 5.7 | c1ccc(CN(CCCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)Cc2ccccn2)nc1 | 10.1021/acs.jmedchem.7b01420 | ||
| 59176368 | 296353 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 571 | 9 | 0 | 6 | 6.8 | CC(C)CN(Cc1nccc2c3ccccc3n(CCCN3C(=O)c4ccccc4C3=O)c12)[C@H]1CCCc2cccnc21 | nan | ||
| CHEMBL3947569 | 296353 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 571 | 9 | 0 | 6 | 6.8 | CC(C)CN(Cc1nccc2c3ccccc3n(CCCN3C(=O)c4ccccc4C3=O)c12)[C@H]1CCCc2cccnc21 | nan | ||
| 70924077 | 298555 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 442 | 8 | 3 | 4 | 4.4 | NC(=O)NCCCCN(Cc1nccc2c1[nH]c1ccccc12)[C@H]1CCCc2cccnc21 | nan | ||
| CHEMBL3966215 | 298555 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 442 | 8 | 3 | 4 | 4.4 | NC(=O)NCCCCN(Cc1nccc2c1[nH]c1ccccc12)[C@H]1CCCc2cccnc21 | nan | ||
| 491773 | 27092 | 0 | None | -67 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 455 | 12 | 1 | 3 | 4.8 | CCCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(CCCCCCc1ccccc1)CC2 | 10.1021/jm060051s | ||
| CHEMBL1188399 | 27092 | 0 | None | -67 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 455 | 12 | 1 | 3 | 4.8 | CCCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(CCCCCCc1ccccc1)CC2 | 10.1021/jm060051s | ||
| 172465026 | 389001 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 957 | 32 | 17 | 12 | -2.8 | CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.3c01128 | ||
| CHEMBL5429594 | 389001 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 957 | 32 | 17 | 12 | -2.8 | CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.3c01128 | ||
| 145972313 | 329506 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 352 | 4 | 0 | 6 | 2.1 | CN1CCN(c2cc(CN(C)[C@@H]3CCCc4cccnc43)ncn2)CC1 | 10.1016/j.ejmech.2018.02.042 | ||
| CHEMBL4215380 | 329506 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 352 | 4 | 0 | 6 | 2.1 | CN1CCN(c2cc(CN(C)[C@@H]3CCCc4cccnc43)ncn2)CC1 | 10.1016/j.ejmech.2018.02.042 | ||
| 10308735 | 22047 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 335 | 6 | 2 | 4 | 3.2 | NCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 | 10.1021/jm100073m | ||
| CHEMBL1088912 | 22047 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 335 | 6 | 2 | 4 | 3.2 | NCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 | 10.1021/jm100073m | ||
| 71590395 | 329206 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 356 | 6 | 3 | 5 | 2.8 | COc1ccc(NC(=O)NCCc2ccc3c(n2)NCCC3)cc1OC | 10.1016/j.ejmech.2018.02.043 | ||
| CHEMBL4211557 | 329206 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 356 | 6 | 3 | 5 | 2.8 | COc1ccc(NC(=O)NCCc2ccc3c(n2)NCCC3)cc1OC | 10.1016/j.ejmech.2018.02.043 | ||
| 135314305 | 318101 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 352 | 8 | 2 | 4 | 3.0 | Cc1cnc(CN(CCCCN)C[C@H]2Cc3ccccc3CN2)c(C)c1 | 10.1021/acsmedchemlett.7b00381 | ||
| CHEMBL4169334 | 318101 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 352 | 8 | 2 | 4 | 3.0 | Cc1cnc(CN(CCCCN)C[C@H]2Cc3ccccc3CN2)c(C)c1 | 10.1021/acsmedchemlett.7b00381 | ||
| 137657247 | 315578 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 392 | 7 | 2 | 4 | 3.9 | CC(C)(CN)CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 | 10.1021/acs.jmedchem.7b01420 | ||
| CHEMBL4104948 | 315578 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 392 | 7 | 2 | 4 | 3.9 | CC(C)(CN)CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 | 10.1021/acs.jmedchem.7b01420 | ||
| 59176482 | 289786 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 399 | 7 | 2 | 4 | 4.7 | NCCCCN(Cc1cc2c(cn1)[nH]c1ccccc12)C1CCCc2cccnc21 | nan | ||
| CHEMBL3938247 | 289786 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 399 | 7 | 2 | 4 | 4.7 | NCCCCN(Cc1cc2c(cn1)[nH]c1ccccc12)C1CCCc2cccnc21 | nan | ||
| 137634107 | 312253 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 478 | 10 | 2 | 5 | 5.0 | c1ccc2c(c1)CN[C@@H](CN(CCCCNCC1CCSCC1)[C@H]1CCCc3cccnc31)C2 | 10.1021/acs.jmedchem.7b01420 | ||
| CHEMBL4065751 | 312253 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 478 | 10 | 2 | 5 | 5.0 | c1ccc2c(c1)CN[C@@H](CN(CCCCNCC1CCSCC1)[C@H]1CCCc3cccnc31)C2 | 10.1021/acs.jmedchem.7b01420 | ||
| 4410 | 6381 | 68 | None | -316 | 4 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/jm100786g | ||
| 65015 | 6381 | 68 | None | -316 | 4 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/jm100786g | ||
| 844 | 6381 | 68 | None | -316 | 4 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/jm100786g | ||
| CHEMBL18442 | 6381 | 68 | None | -316 | 4 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/jm100786g | ||
| DB06809 | 6381 | 68 | None | -316 | 4 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/jm100786g | ||
| 135313911 | 317881 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 338 | 8 | 2 | 4 | 2.6 | Cc1ccnc(CN(CCCCN)C[C@H]2Cc3ccccc3CN2)c1 | 10.1021/acsmedchemlett.7b00381 | ||
| CHEMBL4165634 | 317881 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 338 | 8 | 2 | 4 | 2.6 | Cc1ccnc(CN(CCCCN)C[C@H]2Cc3ccccc3CN2)c1 | 10.1021/acsmedchemlett.7b00381 | ||
| 70924166 | 295954 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 427 | 9 | 2 | 4 | 5.4 | CCNCCCCN(Cc1nccc2c1[nH]c1ccccc12)[C@H]1CCCc2cccnc21 | nan | ||
| CHEMBL3944558 | 295954 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 427 | 9 | 2 | 4 | 5.4 | CCNCCCCN(Cc1nccc2c1[nH]c1ccccc12)[C@H]1CCCc2cccnc21 | nan | ||
| 57345320 | 8342 | 12 | None | 34 | 7 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/acsmedchemlett.7b00381 | ||
| 9882 | 8342 | 12 | None | 34 | 7 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/acsmedchemlett.7b00381 | ||
| CHEMBL3091687 | 8342 | 12 | None | 34 | 7 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/acsmedchemlett.7b00381 | ||
| 72546295 | 213549 | 0 | None | None | None | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 406 | 9 | 2 | 4 | 4.3 | CC(C)NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 | 10.1021/ml400183q | ||
| CHEMBL3091682 | 213549 | 0 | None | None | None | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 406 | 9 | 2 | 4 | 4.3 | CC(C)NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 | 10.1021/ml400183q | ||
| 59176357 | 294809 | 0 | None | None | None | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 456 | 10 | 2 | 6 | 4.6 | NCCCCN(Cc1nccc2c3ccccc3n(CCCN)c12)[C@H]1CCCc2cccnc21 | nan | ||
| CHEMBL3935318 | 294809 | 0 | None | None | None | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 456 | 10 | 2 | 6 | 4.6 | NCCCCN(Cc1nccc2c3ccccc3n(CCCN)c12)[C@H]1CCCc2cccnc21 | nan | ||
| 11718722 | 40540 | 12 | None | -3 | 4 | Rhesus macaque | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 420 | 5 | 1 | 7 | 2.5 | CN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)c(CO)n23)CC1 | 10.1128/aac.01293-09 | ||
| CHEMBL1242210 | 40540 | 12 | None | -3 | 4 | Rhesus macaque | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 420 | 5 | 1 | 7 | 2.5 | CN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)c(CO)n23)CC1 | 10.1128/aac.01293-09 | ||
| 135314215 | 328060 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 338 | 8 | 2 | 4 | 2.6 | Cc1ccc(CN(CCCCN)C[C@H]2Cc3ccccc3CN2)nc1 | 10.1021/acsmedchemlett.7b00381 | ||
| CHEMBL4176238 | 328060 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 338 | 8 | 2 | 4 | 2.6 | Cc1ccc(CN(CCCCN)C[C@H]2Cc3ccccc3CN2)nc1 | 10.1021/acsmedchemlett.7b00381 | ||
| 122192966 | 251959 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 507 | 9 | 2 | 6 | 3.3 | NCCCCN(C[C@H]1CN(S(=O)(=O)c2ccc3ccccc3c2)CCN1)[C@H]1CCCc2cccnc21 | 10.1016/j.bmcl.2015.04.036 | ||
| CHEMBL3627860 | 251959 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 507 | 9 | 2 | 6 | 3.3 | NCCCCN(C[C@H]1CN(S(=O)(=O)c2ccc3ccccc3c2)CCN1)[C@H]1CCCc2cccnc21 | 10.1016/j.bmcl.2015.04.036 | ||
| 145973146 | 328062 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 473 | 6 | 2 | 5 | 4.5 | c1cnc2c(c1)CCC[C@@H]2N(CC1CCCCC1)C[C@H]1Cc2c(cccc2N2CCNCC2)CN1 | 10.1021/acs.jmedchem.8b00450 | ||
| CHEMBL4176285 | 328062 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 473 | 6 | 2 | 5 | 4.5 | c1cnc2c(c1)CCC[C@@H]2N(CC1CCCCC1)C[C@H]1Cc2c(cccc2N2CCNCC2)CN1 | 10.1021/acs.jmedchem.8b00450 | ||
| 25177632 | 121218 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 299 | 8 | 2 | 5 | 2.4 | CC(c1ccccn1)N(CCCCN)Cc1ncccc1N | 10.1016/j.bmcl.2011.01.021 | ||
| CHEMBL1682987 | 121218 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 299 | 8 | 2 | 5 | 2.4 | CC(c1ccccn1)N(CCCCN)Cc1ncccc1N | 10.1016/j.bmcl.2011.01.021 | ||
| 70924138 | 298051 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 453 | 10 | 2 | 4 | 5.8 | c1cnc2c(c1)CCCC2N(CCCCNCC1CC1)Cc1nccc2c1[nH]c1ccccc12 | nan | ||
| CHEMBL3961651 | 298051 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 453 | 10 | 2 | 4 | 5.8 | c1cnc2c(c1)CCCC2N(CCCCNCC1CC1)Cc1nccc2c1[nH]c1ccccc12 | nan | ||
| 172466054 | 389113 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 1511 | 49 | 23 | 22 | -4.6 | CSCC[C@H](NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | ||
| 172470447 | 389113 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 1511 | 49 | 23 | 22 | -4.6 | CSCC[C@H](NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | ||
| CHEMBL5432389 | 389113 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 1511 | 49 | 23 | 22 | -4.6 | CSCC[C@H](NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | ||
| CHEMBL5439158 | 389113 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 1511 | 49 | 23 | 22 | -4.6 | CSCC[C@H](NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | ||
| 46888654 | 23379 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 310 | 7 | 1 | 4 | 3.1 | NCCCCN(Cc1ccccn1)C1CCCc2cccnc21 | 10.1016/j.bmcl.2011.01.021 | ||
| CHEMBL1099015 | 23379 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 310 | 7 | 1 | 4 | 3.1 | NCCCCN(Cc1ccccn1)C1CCCc2cccnc21 | 10.1016/j.bmcl.2011.01.021 | ||
| 25178567 | 350814 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 380 | 8 | 1 | 5 | 4.8 | CCCCCCN/C(=N/C1CCCCC1)SCC1=CSC2=NCCN12 | 10.1021/jm801065q | ||
| CHEMBL461358 | 350814 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 380 | 8 | 1 | 5 | 4.8 | CCCCCCN/C(=N/C1CCCCC1)SCC1=CSC2=NCCN12 | 10.1021/jm801065q | ||
| 46204210 | 22048 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 377 | 9 | 2 | 4 | 4.4 | NCCCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 | 10.1021/jm100073m | ||
| CHEMBL1088916 | 22048 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 377 | 9 | 2 | 4 | 4.4 | NCCCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 | 10.1021/jm100073m | ||
| 137662026 | 314990 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 446 | 9 | 2 | 4 | 5.2 | c1ccc2c(c1)CN[C@@H](CN(CCCCNC1CCCCC1)[C@H]1CCCc3cccnc31)C2 | 10.1021/acs.jmedchem.7b01420 | ||
| CHEMBL4097946 | 314990 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 446 | 9 | 2 | 4 | 5.2 | c1ccc2c(c1)CN[C@@H](CN(CCCCNC1CCCCC1)[C@H]1CCCc3cccnc31)C2 | 10.1021/acs.jmedchem.7b01420 | ||
| 146398388 | 368920 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 419 | 5 | 3 | 5 | 3.8 | CN(C[C@H]1Cc2c(cccc2N[C@H]2CC[C@H](N)CC2)CN1)[C@H]1CCCc2cccnc21 | 10.1021/acsmedchemlett.1c00449 | ||
| CHEMBL4864332 | 368920 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 419 | 5 | 3 | 5 | 3.8 | CN(C[C@H]1Cc2c(cccc2N[C@H]2CC[C@H](N)CC2)CN1)[C@H]1CCCc2cccnc21 | 10.1021/acsmedchemlett.1c00449 | ||
| 46204208 | 22181 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 347 | 6 | 2 | 4 | 3.4 | NC/C=C\CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 | 10.1021/jm100073m | ||
| CHEMBL1089844 | 22181 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 347 | 6 | 2 | 4 | 3.4 | NC/C=C\CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 | 10.1021/jm100073m | ||
| 137634464 | 311712 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 474 | 9 | 2 | 4 | 5.8 | CC1(C)CCC(NCCCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 | 10.1021/acs.jmedchem.7b01420 | ||
| CHEMBL4059462 | 311712 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 474 | 9 | 2 | 4 | 5.8 | CC1(C)CCC(NCCCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 | 10.1021/acs.jmedchem.7b01420 | ||
| 59176602 | 309597 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 542 | 9 | 1 | 7 | 4.8 | NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCSCC3)c12)[C@H]1CCCc2cccnc21 | nan | ||
| CHEMBL3979637 | 309597 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 542 | 9 | 1 | 7 | 4.8 | NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCSCC3)c12)[C@H]1CCCc2cccnc21 | nan | ||
| 177659805 | 392741 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 988 | 20 | 16 | 12 | -3.3 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CCNC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116669 | ||
| CHEMBL5612615 | 392741 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 988 | 20 | 16 | 12 | -3.3 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CCNC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116669 | ||
| 162670980 | 366229 | 0 | None | None | None | Human | 4.1 | pIC50 | = | 4.1 | Functional | ChEMBL | 778 | 21 | 5 | 11 | 3.3 | CNC(=O)COCC(=O)NCCCCCCNC(=O)COCC(=O)NC[C@H]1CC[C@H](/N=C(/NC2CCCCC2)SCC2=CSC3=NC(C)(C)CN23)CC1 | 10.1039/c9md00433e | ||
| CHEMBL4791514 | 366229 | 0 | None | None | None | Human | 4.1 | pIC50 | = | 4.1 | Functional | ChEMBL | 778 | 21 | 5 | 11 | 3.3 | CNC(=O)COCC(=O)NCCCCCCNC(=O)COCC(=O)NC[C@H]1CC[C@H](/N=C(/NC2CCCCC2)SCC2=CSC3=NC(C)(C)CN23)CC1 | 10.1039/c9md00433e | ||
| 53321041 | 121179 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 340 | 8 | 2 | 5 | 2.6 | NCCCCN(Cc1ncccc1CO)C1CCCc2cccnc21 | 10.1016/j.bmcl.2011.01.021 | ||
| CHEMBL1682865 | 121179 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 340 | 8 | 2 | 5 | 2.6 | NCCCCN(Cc1ncccc1CO)C1CCCc2cccnc21 | 10.1016/j.bmcl.2011.01.021 | ||
| 59176381 | 294014 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 526 | 9 | 1 | 7 | 4.1 | NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCOCC3)c12)[C@H]1CCCc2cccnc21 | nan | ||
| CHEMBL3929073 | 294014 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 526 | 9 | 1 | 7 | 4.1 | NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCOCC3)c12)[C@H]1CCCc2cccnc21 | nan | ||
| 71456969 | 174316 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 414 | 12 | 2 | 4 | 4.4 | C[C@H]1CCCCN1CCCNCc1ccc(CNCCCN2CCCC[C@H]2C)cc1 | 10.1021/jm300862u | ||
| CHEMBL2219959 | 174316 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 414 | 12 | 2 | 4 | 4.4 | C[C@H]1CCCCN1CCCNCc1ccc(CNCCCN2CCCC[C@H]2C)cc1 | 10.1021/jm300862u | ||
| 25178565 | 350701 | 0 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 406 | 4 | 1 | 5 | 5.4 | C1=C(CS/C(=N\C2CCCCC2)NC2CCCCCCC2)N2CCN=C2S1 | 10.1021/jm801065q | ||
| CHEMBL460298 | 350701 | 0 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 406 | 4 | 1 | 5 | 5.4 | C1=C(CS/C(=N\C2CCCCC2)NC2CCCCCCC2)N2CCN=C2S1 | 10.1021/jm801065q | ||
| 53324136 | 121224 | 0 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 312 | 8 | 1 | 4 | 3.4 | Cc1ccnc(C(C)N(CCCCN)Cc2ncccc2C)c1 | 10.1016/j.bmcl.2011.01.021 | ||
| CHEMBL1682993 | 121224 | 0 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 312 | 8 | 1 | 4 | 3.4 | Cc1ccnc(C(C)N(CCCCN)Cc2ncccc2C)c1 | 10.1016/j.bmcl.2011.01.021 | ||
| 72546294 | 213548 | 0 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 392 | 8 | 1 | 4 | 3.8 | CN(C)CCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 | 10.1021/ml400183q | ||
| CHEMBL3091681 | 213548 | 0 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 392 | 8 | 1 | 4 | 3.8 | CN(C)CCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 | 10.1021/ml400183q | ||
| CHEMBL2373002 | 485934 | 0 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 2023 | 46 | 30 | 27 | -6.6 | NCCCC[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C1=O | 10.1016/s0960-894x(01)00323-7 | ||
| 145958111 | 317515 | 0 | None | 3 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 376 | 6 | 2 | 4 | 3.4 | C/C(=C/CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21)CN | 10.1021/acsmedchemlett.7b00406 | ||
| CHEMBL4159607 | 317515 | 0 | None | 3 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 376 | 6 | 2 | 4 | 3.4 | C/C(=C/CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21)CN | 10.1021/acsmedchemlett.7b00406 | ||
| 145950432 | 327494 | 0 | None | 120 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 394 | 6 | 2 | 4 | 3.7 | C/C(CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21)=C(\F)CN | 10.1021/acsmedchemlett.7b00406 | ||
| CHEMBL4174727 | 327494 | 0 | None | 120 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 394 | 6 | 2 | 4 | 3.7 | C/C(CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21)=C(\F)CN | 10.1021/acsmedchemlett.7b00406 | ||
| 70887092 | 329578 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 338 | 5 | 3 | 3 | 3.9 | CC(C)c1ccccc1NC(=O)NCCc1ccc2c(n1)NCCC2 | 10.1016/j.ejmech.2018.02.043 | ||
| CHEMBL4216535 | 329578 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 338 | 5 | 3 | 3 | 3.9 | CC(C)c1ccccc1NC(=O)NCCc1ccc2c(n1)NCCC2 | 10.1016/j.ejmech.2018.02.043 | ||
| 172455253 | 388761 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 1401 | 44 | 21 | 19 | -3.6 | CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C)C(C)C)C(C)C | 10.1021/acs.jmedchem.3c01128 | ||
| CHEMBL5423812 | 388761 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 1401 | 44 | 21 | 19 | -3.6 | CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C)C(C)C)C(C)C | 10.1021/acs.jmedchem.3c01128 | ||
| 25178350 | 373022 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 426 | 4 | 1 | 5 | 6.4 | c1ccc2c(c1)nc1scc(CS/C(=N\C3CCCCC3)NC3CCCCC3)n12 | 10.1021/jm801065q | ||
| CHEMBL516989 | 373022 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 426 | 4 | 1 | 5 | 6.4 | c1ccc2c(c1)nc1scc(CS/C(=N\C3CCCCC3)NC3CCCCC3)n12 | 10.1021/jm801065q | ||
| 135313963 | 314642 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 480 | 8 | 2 | 4 | 5.2 | FC1(F)CCC(NC/C=C/CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 | 10.1021/acs.jmedchem.7b01420 | ||
| CHEMBL4094123 | 314642 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 480 | 8 | 2 | 4 | 5.2 | FC1(F)CCC(NC/C=C/CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 | 10.1021/acs.jmedchem.7b01420 | ||
| 162666072 | 356128 | 0 | None | -181 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 979 | 21 | 7 | 15 | 2.2 | CC1(C)CN2C(CS/C(N)=N\[C@H]3CC[C@H](CNC(=O)COCC(=O)NCCCCNC(=O)COCC(=O)N[C@@H]4CC[C@@]5(O)[C@H]6Cc7ccc(O)c8c7[C@@]5(CCN6CC5CC5)[C@H]4O8)CC3)=CSC2=N1 | 10.1021/acsmedchemlett.0c00444 | ||
| CHEMBL4784104 | 356128 | 0 | None | -181 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 979 | 21 | 7 | 15 | 2.2 | CC1(C)CN2C(CS/C(N)=N\[C@H]3CC[C@H](CNC(=O)COCC(=O)NCCCCNC(=O)COCC(=O)N[C@@H]4CC[C@@]5(O)[C@H]6Cc7ccc(O)c8c7[C@@]5(CCN6CC5CC5)[C@H]4O8)CC3)=CSC2=N1 | 10.1021/acsmedchemlett.0c00444 | ||
| 137657547 | 315632 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 546 | 12 | 1 | 6 | 5.7 | c1ccc2c(c1)CN[C@@H](CN(CCCCN(Cc1ccncc1)Cc1ccncc1)[C@H]1CCCc3cccnc31)C2 | 10.1021/acs.jmedchem.7b01420 | ||
| CHEMBL4105591 | 315632 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 546 | 12 | 1 | 6 | 5.7 | c1ccc2c(c1)CN[C@@H](CN(CCCCN(Cc1ccncc1)Cc1ccncc1)[C@H]1CCCc3cccnc31)C2 | 10.1021/acs.jmedchem.7b01420 | ||
| 59176609 | 297422 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 419 | 5 | 1 | 5 | 5.2 | c1ccc(Cn2c3ccccc3c3ccnc(CN[C@H]4CCCc5cccnc54)c32)nc1 | nan | ||
| CHEMBL3956464 | 297422 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 419 | 5 | 1 | 5 | 5.2 | c1ccc(Cn2c3ccccc3c3ccnc(CN[C@H]4CCCc5cccnc54)c32)nc1 | nan | ||
| 155537257 | 336791 | 0 | None | -3 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 438 | 8 | 1 | 6 | 5.8 | CCCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)c1nc2cc(C)ccc2o1 | 10.1016/j.bmc.2019.115091 | ||
| CHEMBL4474605 | 336791 | 0 | None | -3 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 438 | 8 | 1 | 6 | 5.8 | CCCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)c1nc2cc(C)ccc2o1 | 10.1016/j.bmc.2019.115091 | ||
| 59176628 | 279977 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 457 | 9 | 2 | 6 | 4.3 | NCCCCN(Cc1cc2c3ccccc3n(CC(=O)O)c2cn1)[C@H]1CCCc2cccnc21 | nan | ||
| CHEMBL3893088 | 279977 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 457 | 9 | 2 | 6 | 4.3 | NCCCCN(Cc1cc2c3ccccc3n(CC(=O)O)c2cn1)[C@H]1CCCc2cccnc21 | nan | ||
| 59176528 | 292603 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 617 | 12 | 1 | 8 | 5.3 | O=C(Cn1c2ccccc2c2ccnc(CN(CCCCNCc3ccccn3)[C@H]3CCCc4cccnc43)c21)N1CCOCC1 | nan | ||
| CHEMBL3917679 | 292603 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 617 | 12 | 1 | 8 | 5.3 | O=C(Cn1c2ccccc2c2ccnc(CN(CCCCNCc3ccccn3)[C@H]3CCCc4cccnc43)c21)N1CCOCC1 | nan | ||
| 10237323 | 22554 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 377 | 8 | 1 | 4 | 4.2 | CN(C)CCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 | 10.1021/jm100073m | ||
| CHEMBL1092301 | 22554 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 377 | 8 | 1 | 4 | 4.2 | CN(C)CCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 | 10.1021/jm100073m | ||
| 70924205 | 289825 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 454 | 7 | 2 | 5 | 4.3 | c1cnc2c(c1)CCC[C@@H]2N(CCCN1CCNCC1)Cc1nccc2c1[nH]c1ccccc12 | nan | ||
| CHEMBL3959017 | 289825 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 454 | 7 | 2 | 5 | 4.3 | c1cnc2c(c1)CCC[C@@H]2N(CCCN1CCNCC1)Cc1nccc2c1[nH]c1ccccc12 | nan | ||
| 155531953 | 336277 | 0 | None | -79 | 3 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 438 | 8 | 1 | 6 | 6.0 | CCCCN(c1nc2ccccc2o1)[C@H](C)c1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmc.2019.115091 | ||
| CHEMBL4467290 | 336277 | 0 | None | -79 | 3 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 438 | 8 | 1 | 6 | 6.0 | CCCCN(c1nc2ccccc2o1)[C@H](C)c1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmc.2019.115091 | ||
| 59176445 | 297386 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 595 | 9 | 1 | 8 | 3.1 | O=C1CN(CCCN(Cc2nccc3c4ccccc4n(CC(=O)N4CCOCC4)c23)[C@H]2CCCc3cccnc32)CCN1 | nan | ||
| CHEMBL3956267 | 297386 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 595 | 9 | 1 | 8 | 3.1 | O=C1CN(CCCN(Cc2nccc3c4ccccc4n(CC(=O)N4CCOCC4)c23)[C@H]2CCCc3cccnc32)CCN1 | nan | ||
| 135313829 | 318252 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 374 | 8 | 2 | 4 | 3.5 | NCCCCN(Cc1nccc2ccccc12)C[C@H]1Cc2ccccc2CN1 | 10.1021/acsmedchemlett.7b00381 | ||
| CHEMBL4171868 | 318252 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 374 | 8 | 2 | 4 | 3.5 | NCCCCN(Cc1nccc2ccccc12)C[C@H]1Cc2ccccc2CN1 | 10.1021/acsmedchemlett.7b00381 | ||
| 155530073 | 336029 | 0 | None | -34 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 438 | 8 | 1 | 6 | 6.0 | CCCCN(c1nc2ccccc2o1)C(C)c1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmc.2019.115091 | ||
| CHEMBL4463797 | 336029 | 0 | None | -34 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 438 | 8 | 1 | 6 | 6.0 | CCCCN(c1nc2ccccc2o1)C(C)c1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmc.2019.115091 | ||
| 155535518 | 336594 | 0 | None | -9 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 452 | 9 | 1 | 6 | 6.4 | CCCCN(c1nc2ccccc2o1)C(CC)c1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmc.2019.115091 | ||
| CHEMBL4472121 | 336594 | 0 | None | -9 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 452 | 9 | 1 | 6 | 6.4 | CCCCN(c1nc2ccccc2o1)C(CC)c1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmc.2019.115091 | ||
| 59176531 | 297617 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 385 | 6 | 2 | 5 | 4.1 | NCCCn1c2ccccc2c2ccnc(CN[C@H]3CCCc4cccnc43)c21 | nan | ||
| CHEMBL3958178 | 297617 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 385 | 6 | 2 | 5 | 4.1 | NCCCn1c2ccccc2c2ccnc(CN[C@H]3CCCc4cccnc43)c21 | nan | ||
| 76324529 | 213550 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 455 | 10 | 2 | 5 | 4.4 | c1ccc(CNCCCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)nc1 | 10.1021/acs.jmedchem.7b01420 | ||
| CHEMBL3091683 | 213550 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 455 | 10 | 2 | 5 | 4.4 | c1ccc(CNCCCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)nc1 | 10.1021/acs.jmedchem.7b01420 | ||
| 59176472 | 279580 | 0 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 511 | 9 | 2 | 7 | 3.2 | NC(=O)Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc43)c21 | nan | ||
| CHEMBL3890039 | 279580 | 0 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 511 | 9 | 2 | 7 | 3.2 | NC(=O)Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc43)c21 | nan | ||
| 59176556 | 294661 | 0 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 437 | 8 | 1 | 5 | 4.8 | C#CCn1c2ccccc2c2ccnc(CN(CCCCN)[C@H]3CCCc4cccnc43)c21 | nan | ||
| CHEMBL3934072 | 294661 | 0 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 437 | 8 | 1 | 5 | 4.8 | C#CCn1c2ccccc2c2ccnc(CN(CCCCN)[C@H]3CCCc4cccnc43)c21 | nan | ||
| 137655938 | 314839 | 0 | None | 64 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 362 | 6 | 2 | 4 | 3.0 | NC/C=C\CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 | 10.1021/acs.jmedchem.7b01420 | ||
| CHEMBL4096305 | 314839 | 0 | None | 64 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 362 | 6 | 2 | 4 | 3.0 | NC/C=C\CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 | 10.1021/acs.jmedchem.7b01420 | ||
| 146398485 | 368797 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 431 | 4 | 1 | 5 | 3.1 | CN1C[C@H]2CN(c3cccc4c3C[C@H](CN(C)[C@H]3CCCc5cccnc53)NC4)C[C@H]2C1 | 10.1021/acsmedchemlett.1c00449 | ||
| CHEMBL4862509 | 368797 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 431 | 4 | 1 | 5 | 3.1 | CN1C[C@H]2CN(c3cccc4c3C[C@H](CN(C)[C@H]3CCCc5cccnc53)NC4)C[C@H]2C1 | 10.1021/acsmedchemlett.1c00449 | ||
| 135314337 | 314223 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 496 | 8 | 2 | 5 | 4.9 | c1ccc2c(c1)CN[C@@H](CN(Cc1ccc(CNC3CCOCC3)cc1)[C@H]1CCCc3cccnc31)C2 | 10.1021/acs.jmedchem.7b01420 | ||
| CHEMBL4089531 | 314223 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 496 | 8 | 2 | 5 | 4.9 | c1ccc2c(c1)CN[C@@H](CN(Cc1ccc(CNC3CCOCC3)cc1)[C@H]1CCCc3cccnc31)C2 | 10.1021/acs.jmedchem.7b01420 | ||
| 53319745 | 121169 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 324 | 7 | 1 | 4 | 3.4 | Cc1ccnc(CN(CCCCN)C2CCCc3cccnc32)c1 | 10.1016/j.bmcl.2011.01.021 | ||
| CHEMBL1682855 | 121169 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 324 | 7 | 1 | 4 | 3.4 | Cc1ccnc(CN(CCCCN)C2CCCc3cccnc32)c1 | 10.1016/j.bmcl.2011.01.021 | ||
| 135314107 | 318116 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 365 | 5 | 2 | 5 | 1.9 | Cc1cccnc1CN(C)C[C@H]1Cc2c(cccc2N2CCNCC2)CN1 | 10.1021/acs.jmedchem.8b00450 | ||
| CHEMBL4169504 | 318116 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 365 | 5 | 2 | 5 | 1.9 | Cc1cccnc1CN(C)C[C@H]1Cc2c(cccc2N2CCNCC2)CN1 | 10.1021/acs.jmedchem.8b00450 | ||
| 25178764 | 350727 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 380 | 4 | 1 | 5 | 4.5 | C/N=c1/scc(CS/C(=N\C2CCCCC2)NC2CCCCC2)n1C | 10.1021/jm801065q | ||
| CHEMBL460484 | 350727 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 380 | 4 | 1 | 5 | 4.5 | C/N=c1/scc(CS/C(=N\C2CCCCC2)NC2CCCCC2)n1C | 10.1021/jm801065q | ||
| 45182189 | 276182 | 1 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 399 | 8 | 1 | 4 | 4.3 | Oc1cccc(CN(CCN2CCCCC2)CC2CCCN(C3CCCC3)C2)c1 | 10.1021/acs.jmedchem.5b00497 | ||
| CHEMBL3781301 | 276182 | 1 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 399 | 8 | 1 | 4 | 4.3 | Oc1cccc(CN(CCN2CCCCC2)CC2CCCN(C3CCCC3)C2)c1 | 10.1021/acs.jmedchem.5b00497 | ||
| 172465026 | 389001 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 957 | 32 | 17 | 12 | -2.8 | CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.3c01128 | ||
| CHEMBL5429594 | 389001 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 957 | 32 | 17 | 12 | -2.8 | CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.3c01128 | ||
| 45182189 | 276182 | 1 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 399 | 8 | 1 | 4 | 4.3 | Oc1cccc(CN(CCN2CCCCC2)CC2CCCN(C3CCCC3)C2)c1 | 10.1016/j.ejmech.2017.08.027 | ||
| CHEMBL3781301 | 276182 | 1 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 399 | 8 | 1 | 4 | 4.3 | Oc1cccc(CN(CCN2CCCCC2)CC2CCCN(C3CCCC3)C2)c1 | 10.1016/j.ejmech.2017.08.027 | ||
| 135314252 | 312316 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 453 | 9 | 2 | 5 | 4.2 | C(=C/CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21)\CNCc1cccnc1 | 10.1021/acs.jmedchem.7b01420 | ||
| CHEMBL4066459 | 312316 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 453 | 9 | 2 | 5 | 4.2 | C(=C/CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21)\CNCc1cccnc1 | 10.1021/acs.jmedchem.7b01420 | ||
| 172466054 | 389113 | 0 | None | None | None | Human | 4.0 | pIC50 | = | 4.0 | Functional | ChEMBL | 1511 | 49 | 23 | 22 | -4.6 | CSCC[C@H](NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | ||
| 172470447 | 389113 | 0 | None | None | None | Human | 4.0 | pIC50 | = | 4.0 | Functional | ChEMBL | 1511 | 49 | 23 | 22 | -4.6 | CSCC[C@H](NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | ||
| CHEMBL5432389 | 389113 | 0 | None | None | None | Human | 4.0 | pIC50 | = | 4.0 | Functional | ChEMBL | 1511 | 49 | 23 | 22 | -4.6 | CSCC[C@H](NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | ||
| CHEMBL5439158 | 389113 | 0 | None | None | None | Human | 4.0 | pIC50 | = | 4.0 | Functional | ChEMBL | 1511 | 49 | 23 | 22 | -4.6 | CSCC[C@H](NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | ||
| 172439799 | 387317 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 1493 | 48 | 23 | 21 | -4.3 | CSCC[C@H](NC(=O)[C@H](N)CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | ||
| CHEMBL5393986 | 387317 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 1493 | 48 | 23 | 21 | -4.3 | CSCC[C@H](NC(=O)[C@H](N)CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | ||
| 25181075 | 347522 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 392 | 4 | 0 | 5 | 4.9 | CN(/C(=N/C1CCCCC1)SCC1=CSC2=NCCN12)C1CCCCC1 | 10.1021/jm801065q | ||
| CHEMBL452868 | 347522 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 392 | 4 | 0 | 5 | 4.9 | CN(/C(=N/C1CCCCC1)SCC1=CSC2=NCCN12)C1CCCCC1 | 10.1021/jm801065q | ||
| 70924239 | 291528 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 397 | 6 | 2 | 4 | 4.5 | NC/C=C\CN(Cc1nccc2c1[nH]c1ccccc12)[C@H]1CCCc2cccnc21 | nan | ||
| CHEMBL3909203 | 291528 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 397 | 6 | 2 | 4 | 4.5 | NC/C=C\CN(Cc1nccc2c1[nH]c1ccccc12)[C@H]1CCCc2cccnc21 | nan | ||
| 59176632 | 299520 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 513 | 9 | 1 | 7 | 5.5 | CC(C)(C)OC(=O)Cn1c2ccccc2c2cc(CN(CCCCN)[C@H]3CCCc4cccnc43)ncc21 | nan | ||
| CHEMBL3974711 | 299520 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 513 | 9 | 1 | 7 | 5.5 | CC(C)(C)OC(=O)Cn1c2ccccc2c2cc(CN(CCCCN)[C@H]3CCCc4cccnc43)ncc21 | nan | ||
| 70924094 | 293558 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 499 | 8 | 2 | 6 | 5.4 | CC(C)(C)OC(=O)[C@@H](N)CCCN(Cc1nccc2c1[nH]c1ccccc12)[C@H]1CCCc2cccnc21 | nan | ||
| CHEMBL3925239 | 293558 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 499 | 8 | 2 | 6 | 5.4 | CC(C)(C)OC(=O)[C@@H](N)CCCN(Cc1nccc2c1[nH]c1ccccc12)[C@H]1CCCc2cccnc21 | nan | ||
| 145961863 | 317562 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 462 | 7 | 2 | 5 | 2.6 | NC(=O)N1CCN(CCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 | 10.1021/acsmedchemlett.8b00030 | ||
| CHEMBL4160551 | 317562 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 462 | 7 | 2 | 5 | 2.6 | NC(=O)N1CCN(CCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 | 10.1021/acsmedchemlett.8b00030 | ||
| 177661343 | 392748 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 988 | 19 | 16 | 12 | -3.3 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CCCNC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116669 | ||
| CHEMBL5612725 | 392748 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 988 | 19 | 16 | 12 | -3.3 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CCCNC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116669 | ||
| 155554813 | 348455 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 458 | 7 | 1 | 6 | 5.9 | c1ccc(CN(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c2nc3ccccc3o2)cc1 | 10.1016/j.bmc.2019.115091 | ||
| CHEMBL4552485 | 348455 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 458 | 7 | 1 | 6 | 5.9 | c1ccc(CN(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c2nc3ccccc3o2)cc1 | 10.1016/j.bmc.2019.115091 | ||
| CHEMBL1956254 | 485003 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 701 | 12 | 10 | 8 | -0.2 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1016/j.bmcl.2012.01.134 | ||
| 155518713 | 334835 | 0 | None | -2 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 424 | 8 | 1 | 6 | 5.5 | CCCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)c1nc2ccccc2o1 | 10.1016/j.bmc.2019.115091 | ||
| CHEMBL4446260 | 334835 | 0 | None | -2 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 424 | 8 | 1 | 6 | 5.5 | CCCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)c1nc2ccccc2o1 | 10.1016/j.bmc.2019.115091 | ||
| 10215423 | 22183 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 345 | 4 | 2 | 4 | 2.8 | NCC#CCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 | 10.1021/jm100073m | ||
| CHEMBL1089846 | 22183 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 345 | 4 | 2 | 4 | 2.8 | NCC#CCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 | 10.1021/jm100073m | ||
| 142416754 | 317835 | 0 | None | 112 | 2 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 480 | 8 | 2 | 4 | 5.2 | FC1(F)CCC(NC/C=C\CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 | 10.1021/acsmedchemlett.7b00406 | ||
| CHEMBL4164874 | 317835 | 0 | None | 112 | 2 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 480 | 8 | 2 | 4 | 5.2 | FC1(F)CCC(NC/C=C\CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 | 10.1021/acsmedchemlett.7b00406 | ||
| 155525712 | 335616 | 0 | None | -1 | 2 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 438 | 8 | 1 | 6 | 6.0 | CCCCN(c1nc2ccccc2o1)[C@@H](C)c1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmc.2019.115091 | ||
| CHEMBL4457246 | 335616 | 0 | None | -1 | 2 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 438 | 8 | 1 | 6 | 6.0 | CCCCN(c1nc2ccccc2o1)[C@@H](C)c1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmc.2019.115091 | ||
| 59176463 | 292419 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 413 | 7 | 1 | 5 | 4.8 | CCN(Cc1nccc2c3ccccc3n(CCCN)c12)[C@H]1CCCc2cccnc21 | nan | ||
| CHEMBL3916239 | 292419 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 413 | 7 | 1 | 5 | 4.8 | CCN(Cc1nccc2c3ccccc3n(CCCN)c12)[C@H]1CCCc2cccnc21 | nan | ||
| 70924194 | 291674 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 518 | 7 | 1 | 6 | 3.6 | CS(=O)(=O)N1CCN(CCN(Cc2nccc3c2[nH]c2ccccc23)C2CCCc3cccnc32)CC1 | nan | ||
| CHEMBL3910316 | 291674 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 518 | 7 | 1 | 6 | 3.6 | CS(=O)(=O)N1CCN(CCN(Cc2nccc3c2[nH]c2ccccc23)C2CCCc3cccnc32)CC1 | nan | ||
| 483559 | 355444 | 35 | None | None | None | Human | 8.0 | pKi | = | 8 | Functional | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | ||
| CHEMBL477121 | 355444 | 35 | None | None | None | Human | 8.0 | pKi | = | 8 | Functional | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | ||
| 483559 | 355444 | 35 | None | None | None | Human | 8.0 | pKi | = | 8 | Functional | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | ||
| CHEMBL477121 | 355444 | 35 | None | None | None | Human | 8.0 | pKi | = | 8 | Functional | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | ||
| 483559 | 355444 | 35 | None | None | None | Human | 8.0 | pKi | = | 8 | Functional | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | ||
| CHEMBL477121 | 355444 | 35 | None | None | None | Human | 8.0 | pKi | = | 8 | Functional | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | ||
| 483559 | 355444 | 35 | None | None | None | Human | 8.0 | pKi | = | 8 | Functional | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | ||
| CHEMBL477121 | 355444 | 35 | None | None | None | Human | 8.0 | pKi | = | 8 | Functional | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | ||
| 483570 | 355924 | 0 | None | None | None | Human | 5.0 | pKi | = | 5.0 | Functional | ChEMBL | 409 | 6 | 4 | 5 | 2.3 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 | 10.1074/jbc.m704739200 | ||
| CHEMBL478168 | 355924 | 0 | None | None | None | Human | 5.0 | pKi | = | 5.0 | Functional | ChEMBL | 409 | 6 | 4 | 5 | 2.3 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 | 10.1074/jbc.m704739200 | ||
| 4410 | 6381 | 68 | None | None | None | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| 65015 | 6381 | 68 | None | None | None | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| 844 | 6381 | 68 | None | None | None | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| CHEMBL18442 | 6381 | 68 | None | None | None | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| DB06809 | 6381 | 68 | None | None | None | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| 483570 | 355924 | 0 | None | None | None | Human | 4.9 | pKi | = | 4.9 | Functional | ChEMBL | 409 | 6 | 4 | 5 | 2.3 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 | 10.1074/jbc.m704739200 | ||
| CHEMBL478168 | 355924 | 0 | None | None | None | Human | 4.9 | pKi | = | 4.9 | Functional | ChEMBL | 409 | 6 | 4 | 5 | 2.3 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 | 10.1074/jbc.m704739200 | ||
| 483559 | 355444 | 35 | None | None | None | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | ||
| CHEMBL477121 | 355444 | 35 | None | None | None | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | ||
| 483559 | 355444 | 35 | None | None | None | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | ||
| CHEMBL477121 | 355444 | 35 | None | None | None | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | ||
| 483570 | 355924 | 0 | None | None | None | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 409 | 6 | 4 | 5 | 2.3 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 | 10.1074/jbc.m704739200 | ||
| CHEMBL478168 | 355924 | 0 | None | None | None | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 409 | 6 | 4 | 5 | 2.3 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 | 10.1074/jbc.m704739200 | ||
| 460344 | 39566 | 12 | None | None | None | Human | 4.9 | pKi | = | 4.9 | Functional | ChEMBL | 304 | 2 | 3 | 4 | 1.4 | Cc1ccc(CN2CCCNCCNCCCNCC2)cc1 | 10.1074/jbc.m704739200 | ||
| CHEMBL122226 | 39566 | 12 | None | None | None | Human | 4.9 | pKi | = | 4.9 | Functional | ChEMBL | 304 | 2 | 3 | 4 | 1.4 | Cc1ccc(CN2CCCNCCNCCCNCC2)cc1 | 10.1074/jbc.m704739200 | ||
| 4410 | 6381 | 68 | None | None | None | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| 65015 | 6381 | 68 | None | None | None | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| 844 | 6381 | 68 | None | None | None | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| CHEMBL18442 | 6381 | 68 | None | None | None | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| DB06809 | 6381 | 68 | None | None | None | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| 483570 | 355924 | 0 | None | None | None | Human | 4.9 | pKi | = | 4.9 | Functional | ChEMBL | 409 | 6 | 4 | 5 | 2.3 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 | 10.1074/jbc.m704739200 | ||
| CHEMBL478168 | 355924 | 0 | None | None | None | Human | 4.9 | pKi | = | 4.9 | Functional | ChEMBL | 409 | 6 | 4 | 5 | 2.3 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 | 10.1074/jbc.m704739200 | ||
| 483559 | 355444 | 35 | None | None | None | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | ||
| CHEMBL477121 | 355444 | 35 | None | None | None | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | ||
| 460344 | 39566 | 12 | None | None | None | Human | 4.8 | pKi | = | 4.8 | Functional | ChEMBL | 304 | 2 | 3 | 4 | 1.4 | Cc1ccc(CN2CCCNCCNCCCNCC2)cc1 | 10.1074/jbc.m704739200 | ||
| CHEMBL122226 | 39566 | 12 | None | None | None | Human | 4.8 | pKi | = | 4.8 | Functional | ChEMBL | 304 | 2 | 3 | 4 | 1.4 | Cc1ccc(CN2CCCNCCNCCCNCC2)cc1 | 10.1074/jbc.m704739200 | ||
| 483559 | 355444 | 35 | None | None | None | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | ||
| CHEMBL477121 | 355444 | 35 | None | None | None | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | ||
| 4410 | 6381 | 68 | None | None | None | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| 65015 | 6381 | 68 | None | None | None | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| 844 | 6381 | 68 | None | None | None | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| CHEMBL18442 | 6381 | 68 | None | None | None | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| DB06809 | 6381 | 68 | None | None | None | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| 483570 | 355924 | 0 | None | None | None | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 409 | 6 | 4 | 5 | 2.3 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 | 10.1074/jbc.m704739200 | ||
| CHEMBL478168 | 355924 | 0 | None | None | None | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 409 | 6 | 4 | 5 | 2.3 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 | 10.1074/jbc.m704739200 | ||
| 483570 | 355924 | 0 | None | None | None | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 409 | 6 | 4 | 5 | 2.3 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 | 10.1074/jbc.m704739200 | ||
| CHEMBL478168 | 355924 | 0 | None | None | None | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 409 | 6 | 4 | 5 | 2.3 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 | 10.1074/jbc.m704739200 | ||
| 483559 | 355444 | 35 | None | None | None | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | ||
| CHEMBL477121 | 355444 | 35 | None | None | None | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | ||
| 4410 | 6381 | 68 | None | None | None | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| 65015 | 6381 | 68 | None | None | None | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| 844 | 6381 | 68 | None | None | None | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| CHEMBL18442 | 6381 | 68 | None | None | None | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| DB06809 | 6381 | 68 | None | None | None | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| 483570 | 355924 | 0 | None | None | None | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 409 | 6 | 4 | 5 | 2.3 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 | 10.1074/jbc.m704739200 | ||
| CHEMBL478168 | 355924 | 0 | None | None | None | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 409 | 6 | 4 | 5 | 2.3 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 | 10.1074/jbc.m704739200 | ||
| 483570 | 355924 | 0 | None | None | None | Human | 4.8 | pKi | = | 4.8 | Functional | ChEMBL | 409 | 6 | 4 | 5 | 2.3 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 | 10.1074/jbc.m704739200 | ||
| CHEMBL478168 | 355924 | 0 | None | None | None | Human | 4.8 | pKi | = | 4.8 | Functional | ChEMBL | 409 | 6 | 4 | 5 | 2.3 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 | 10.1074/jbc.m704739200 | ||
| 4410 | 6381 | 68 | None | None | None | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| 65015 | 6381 | 68 | None | None | None | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| 844 | 6381 | 68 | None | None | None | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| CHEMBL18442 | 6381 | 68 | None | None | None | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| DB06809 | 6381 | 68 | None | None | None | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| 483559 | 355444 | 35 | None | None | None | Human | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | ||
| CHEMBL477121 | 355444 | 35 | None | None | None | Human | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | ||
| 483559 | 355444 | 35 | None | None | None | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | ||
| CHEMBL477121 | 355444 | 35 | None | None | None | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | ||
| 483559 | 355444 | 35 | None | None | None | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | ||
| CHEMBL477121 | 355444 | 35 | None | None | None | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | ||
| 460344 | 39566 | 12 | None | None | None | Human | 4.7 | pKi | = | 4.7 | Functional | ChEMBL | 304 | 2 | 3 | 4 | 1.4 | Cc1ccc(CN2CCCNCCNCCCNCC2)cc1 | 10.1074/jbc.m704739200 | ||
| CHEMBL122226 | 39566 | 12 | None | None | None | Human | 4.7 | pKi | = | 4.7 | Functional | ChEMBL | 304 | 2 | 3 | 4 | 1.4 | Cc1ccc(CN2CCCNCCNCCCNCC2)cc1 | 10.1074/jbc.m704739200 | ||
| 483559 | 355444 | 35 | None | None | None | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | ||
| CHEMBL477121 | 355444 | 35 | None | None | None | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | ||
| 4410 | 6381 | 68 | None | None | None | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| 65015 | 6381 | 68 | None | None | None | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| 844 | 6381 | 68 | None | None | None | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| CHEMBL18442 | 6381 | 68 | None | None | None | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| DB06809 | 6381 | 68 | None | None | None | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| 460344 | 39566 | 12 | None | None | None | Human | 4.7 | pKi | = | 4.7 | Functional | ChEMBL | 304 | 2 | 3 | 4 | 1.4 | Cc1ccc(CN2CCCNCCNCCCNCC2)cc1 | 10.1074/jbc.m704739200 | ||
| CHEMBL122226 | 39566 | 12 | None | None | None | Human | 4.7 | pKi | = | 4.7 | Functional | ChEMBL | 304 | 2 | 3 | 4 | 1.4 | Cc1ccc(CN2CCCNCCNCCCNCC2)cc1 | 10.1074/jbc.m704739200 | ||
| 483570 | 355924 | 0 | None | None | None | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 409 | 6 | 4 | 5 | 2.3 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 | 10.1074/jbc.m704739200 | ||
| CHEMBL478168 | 355924 | 0 | None | None | None | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 409 | 6 | 4 | 5 | 2.3 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 | 10.1074/jbc.m704739200 | ||
| 460344 | 39566 | 12 | None | None | None | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 304 | 2 | 3 | 4 | 1.4 | Cc1ccc(CN2CCCNCCNCCCNCC2)cc1 | 10.1074/jbc.m704739200 | ||
| CHEMBL122226 | 39566 | 12 | None | None | None | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 304 | 2 | 3 | 4 | 1.4 | Cc1ccc(CN2CCCNCCNCCCNCC2)cc1 | 10.1074/jbc.m704739200 | ||
| 460344 | 39566 | 12 | None | None | None | Human | 4.6 | pKi | = | 4.6 | Functional | ChEMBL | 304 | 2 | 3 | 4 | 1.4 | Cc1ccc(CN2CCCNCCNCCCNCC2)cc1 | 10.1074/jbc.m704739200 | ||
| CHEMBL122226 | 39566 | 12 | None | None | None | Human | 4.6 | pKi | = | 4.6 | Functional | ChEMBL | 304 | 2 | 3 | 4 | 1.4 | Cc1ccc(CN2CCCNCCNCCCNCC2)cc1 | 10.1074/jbc.m704739200 | ||
| 460344 | 39566 | 12 | None | None | None | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 304 | 2 | 3 | 4 | 1.4 | Cc1ccc(CN2CCCNCCNCCCNCC2)cc1 | 10.1074/jbc.m704739200 | ||
| CHEMBL122226 | 39566 | 12 | None | None | None | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 304 | 2 | 3 | 4 | 1.4 | Cc1ccc(CN2CCCNCCNCCCNCC2)cc1 | 10.1074/jbc.m704739200 | ||
| 460344 | 39566 | 12 | None | None | None | Human | 4.6 | pKi | = | 4.6 | Functional | ChEMBL | 304 | 2 | 3 | 4 | 1.4 | Cc1ccc(CN2CCCNCCNCCCNCC2)cc1 | 10.1074/jbc.m704739200 | ||
| CHEMBL122226 | 39566 | 12 | None | None | None | Human | 4.6 | pKi | = | 4.6 | Functional | ChEMBL | 304 | 2 | 3 | 4 | 1.4 | Cc1ccc(CN2CCCNCCNCCCNCC2)cc1 | 10.1074/jbc.m704739200 | ||
| 4410 | 6381 | 68 | None | None | None | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| 65015 | 6381 | 68 | None | None | None | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| 844 | 6381 | 68 | None | None | None | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| CHEMBL18442 | 6381 | 68 | None | None | None | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| DB06809 | 6381 | 68 | None | None | None | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| 4410 | 6381 | 68 | None | None | None | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| 65015 | 6381 | 68 | None | None | None | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| 844 | 6381 | 68 | None | None | None | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| CHEMBL18442 | 6381 | 68 | None | None | None | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| DB06809 | 6381 | 68 | None | None | None | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| 4410 | 6381 | 68 | None | None | None | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| 65015 | 6381 | 68 | None | None | None | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| 844 | 6381 | 68 | None | None | None | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| CHEMBL18442 | 6381 | 68 | None | None | None | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| DB06809 | 6381 | 68 | None | None | None | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| 460344 | 39566 | 12 | None | None | None | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 304 | 2 | 3 | 4 | 1.4 | Cc1ccc(CN2CCCNCCNCCCNCC2)cc1 | 10.1074/jbc.m704739200 | ||
| CHEMBL122226 | 39566 | 12 | None | None | None | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 304 | 2 | 3 | 4 | 1.4 | Cc1ccc(CN2CCCNCCNCCCNCC2)cc1 | 10.1074/jbc.m704739200 | ||
| 483559 | 355444 | 35 | None | None | None | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | ||
| CHEMBL477121 | 355444 | 35 | None | None | None | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | ||
| 483559 | 355444 | 35 | None | None | None | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | ||
| CHEMBL477121 | 355444 | 35 | None | None | None | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | ||
| 483570 | 355924 | 0 | None | None | None | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 409 | 6 | 4 | 5 | 2.3 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 | 10.1074/jbc.m704739200 | ||
| CHEMBL478168 | 355924 | 0 | None | None | None | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 409 | 6 | 4 | 5 | 2.3 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 | 10.1074/jbc.m704739200 | ||
| 460344 | 39566 | 12 | None | None | None | Human | 4.5 | pKi | = | 4.5 | Functional | ChEMBL | 304 | 2 | 3 | 4 | 1.4 | Cc1ccc(CN2CCCNCCNCCCNCC2)cc1 | 10.1074/jbc.m704739200 | ||
| CHEMBL122226 | 39566 | 12 | None | None | None | Human | 4.5 | pKi | = | 4.5 | Functional | ChEMBL | 304 | 2 | 3 | 4 | 1.4 | Cc1ccc(CN2CCCNCCNCCCNCC2)cc1 | 10.1074/jbc.m704739200 | ||
| 4410 | 6381 | 68 | None | None | None | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| 65015 | 6381 | 68 | None | None | None | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| 844 | 6381 | 68 | None | None | None | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| CHEMBL18442 | 6381 | 68 | None | None | None | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| DB06809 | 6381 | 68 | None | None | None | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| 460344 | 39566 | 12 | None | None | None | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 304 | 2 | 3 | 4 | 1.4 | Cc1ccc(CN2CCCNCCNCCCNCC2)cc1 | 10.1074/jbc.m704739200 | ||
| CHEMBL122226 | 39566 | 12 | None | None | None | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 304 | 2 | 3 | 4 | 1.4 | Cc1ccc(CN2CCCNCCNCCCNCC2)cc1 | 10.1074/jbc.m704739200 | ||
| 483570 | 355924 | 0 | None | None | None | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 409 | 6 | 4 | 5 | 2.3 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 | 10.1074/jbc.m704739200 | ||
| CHEMBL478168 | 355924 | 0 | None | None | None | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 409 | 6 | 4 | 5 | 2.3 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 | 10.1074/jbc.m704739200 | ||
| 460344 | 39566 | 12 | None | None | None | Human | 4.4 | pKi | = | 4.4 | Functional | ChEMBL | 304 | 2 | 3 | 4 | 1.4 | Cc1ccc(CN2CCCNCCNCCCNCC2)cc1 | 10.1074/jbc.m704739200 | ||
| CHEMBL122226 | 39566 | 12 | None | None | None | Human | 4.4 | pKi | = | 4.4 | Functional | ChEMBL | 304 | 2 | 3 | 4 | 1.4 | Cc1ccc(CN2CCCNCCNCCCNCC2)cc1 | 10.1074/jbc.m704739200 | ||
| 483559 | 355444 | 35 | None | None | None | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | ||
| CHEMBL477121 | 355444 | 35 | None | None | None | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | ||
| 4410 | 6381 | 68 | None | None | None | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| 65015 | 6381 | 68 | None | None | None | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| 844 | 6381 | 68 | None | None | None | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| CHEMBL18442 | 6381 | 68 | None | None | None | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| DB06809 | 6381 | 68 | None | None | None | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| 483570 | 355924 | 0 | None | None | None | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 409 | 6 | 4 | 5 | 2.3 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 | 10.1074/jbc.m704739200 | ||
| CHEMBL478168 | 355924 | 0 | None | None | None | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 409 | 6 | 4 | 5 | 2.3 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 | 10.1074/jbc.m704739200 | ||
| 483570 | 355924 | 0 | None | None | None | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 409 | 6 | 4 | 5 | 2.3 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 | 10.1074/jbc.m704739200 | ||
| CHEMBL478168 | 355924 | 0 | None | None | None | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 409 | 6 | 4 | 5 | 2.3 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 | 10.1074/jbc.m704739200 | ||
| 4410 | 6381 | 68 | None | None | None | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| 65015 | 6381 | 68 | None | None | None | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| 844 | 6381 | 68 | None | None | None | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| CHEMBL18442 | 6381 | 68 | None | None | None | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| DB06809 | 6381 | 68 | None | None | None | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| 460344 | 39566 | 12 | None | None | None | Human | 4.2 | pKi | = | 4.2 | Functional | ChEMBL | 304 | 2 | 3 | 4 | 1.4 | Cc1ccc(CN2CCCNCCNCCCNCC2)cc1 | 10.1074/jbc.m704739200 | ||
| CHEMBL122226 | 39566 | 12 | None | None | None | Human | 4.2 | pKi | = | 4.2 | Functional | ChEMBL | 304 | 2 | 3 | 4 | 1.4 | Cc1ccc(CN2CCCNCCNCCCNCC2)cc1 | 10.1074/jbc.m704739200 | ||
| 4410 | 6381 | 68 | None | None | None | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| 65015 | 6381 | 68 | None | None | None | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| 844 | 6381 | 68 | None | None | None | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| CHEMBL18442 | 6381 | 68 | None | None | None | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| DB06809 | 6381 | 68 | None | None | None | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| 4410 | 6381 | 68 | None | None | None | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| 65015 | 6381 | 68 | None | None | None | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| 844 | 6381 | 68 | None | None | None | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| CHEMBL18442 | 6381 | 68 | None | None | None | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| DB06809 | 6381 | 68 | None | None | None | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| 4410 | 6381 | 68 | None | None | None | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| 65015 | 6381 | 68 | None | None | None | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| 844 | 6381 | 68 | None | None | None | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| CHEMBL18442 | 6381 | 68 | None | None | None | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| DB06809 | 6381 | 68 | None | None | None | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| 483570 | 355924 | 0 | None | None | None | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 409 | 6 | 4 | 5 | 2.3 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 | 10.1074/jbc.m704739200 | ||
| CHEMBL478168 | 355924 | 0 | None | None | None | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 409 | 6 | 4 | 5 | 2.3 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 | 10.1074/jbc.m704739200 | ||
| 483570 | 355924 | 0 | None | None | None | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 409 | 6 | 4 | 5 | 2.3 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 | 10.1074/jbc.m704739200 | ||
| CHEMBL478168 | 355924 | 0 | None | None | None | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 409 | 6 | 4 | 5 | 2.3 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 | 10.1074/jbc.m704739200 | ||
| 4410 | 6381 | 68 | None | None | None | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| 65015 | 6381 | 68 | None | None | None | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| 844 | 6381 | 68 | None | None | None | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| CHEMBL18442 | 6381 | 68 | None | None | None | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| DB06809 | 6381 | 68 | None | None | None | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| 483559 | 355444 | 35 | None | None | None | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | ||
| CHEMBL477121 | 355444 | 35 | None | None | None | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | ||
| 483559 | 355444 | 35 | None | None | None | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | ||
| CHEMBL477121 | 355444 | 35 | None | None | None | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | ||
| 460344 | 39566 | 12 | None | None | None | Human | 4.1 | pKi | = | 4.1 | Functional | ChEMBL | 304 | 2 | 3 | 4 | 1.4 | Cc1ccc(CN2CCCNCCNCCCNCC2)cc1 | 10.1074/jbc.m704739200 | ||
| CHEMBL122226 | 39566 | 12 | None | None | None | Human | 4.1 | pKi | = | 4.1 | Functional | ChEMBL | 304 | 2 | 3 | 4 | 1.4 | Cc1ccc(CN2CCCNCCNCCCNCC2)cc1 | 10.1074/jbc.m704739200 | ||
| 4410 | 6381 | 68 | None | None | None | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| 65015 | 6381 | 68 | None | None | None | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| 844 | 6381 | 68 | None | None | None | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| CHEMBL18442 | 6381 | 68 | None | None | None | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| DB06809 | 6381 | 68 | None | None | None | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| 483570 | 355924 | 0 | None | None | None | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 409 | 6 | 4 | 5 | 2.3 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 | 10.1074/jbc.m704739200 | ||
| CHEMBL478168 | 355924 | 0 | None | None | None | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 409 | 6 | 4 | 5 | 2.3 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 | 10.1074/jbc.m704739200 | ||
| 483570 | 355924 | 0 | None | None | None | Human | 6.0 | pKi | = | 6.0 | Functional | ChEMBL | 409 | 6 | 4 | 5 | 2.3 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 | 10.1074/jbc.m704739200 | ||
| CHEMBL478168 | 355924 | 0 | None | None | None | Human | 6.0 | pKi | = | 6.0 | Functional | ChEMBL | 409 | 6 | 4 | 5 | 2.3 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 | 10.1074/jbc.m704739200 | ||
| 4410 | 6381 | 68 | None | None | None | Human | 6.0 | pKi | = | 6.0 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| 65015 | 6381 | 68 | None | None | None | Human | 6.0 | pKi | = | 6.0 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| 844 | 6381 | 68 | None | None | None | Human | 6.0 | pKi | = | 6.0 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| CHEMBL18442 | 6381 | 68 | None | None | None | Human | 6.0 | pKi | = | 6.0 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| DB06809 | 6381 | 68 | None | None | None | Human | 6.0 | pKi | = | 6.0 | Functional | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | ||
| 9161 | 8549 | 0 | None | None | None | Human | 8.7 | pEC50 | = | 8.7 | Functional | Guide to Pharmacology | None | None | None | None | None | ||||
| 11176403 | 4278 | 1 | None | None | None | Human | 8.0 | pEC50 | = | 8.0 | Functional | Guide to Pharmacology | 378 | 4 | 1 | 5 | 4.6 | C1CCC(CC1)N/C(=N/C1CCCCC1)/SCc1csc2=NCCn12 | 19053768 | ||
| 2900 | 4278 | 1 | None | None | None | Human | 8.0 | pEC50 | = | 8.0 | Functional | Guide to Pharmacology | 378 | 4 | 1 | 5 | 4.6 | C1CCC(CC1)N/C(=N/C1CCCCC1)/SCc1csc2=NCCn12 | 19053768 | ||
| CHEMBL452864 | 4278 | 1 | None | None | None | Human | 8.0 | pEC50 | = | 8.0 | Functional | Guide to Pharmacology | 378 | 4 | 1 | 5 | 4.6 | C1CCC(CC1)N/C(=N/C1CCCCC1)/SCc1csc2=NCCn12 | 19053768 | ||
| 25147749 | 4280 | 21 | None | None | None | Human | 9.0 | pEC50 | = | 9 | Functional | Guide to Pharmacology | 406 | 4 | 1 | 5 | 5.4 | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 | 19053768 | ||
| 2899 | 4280 | 21 | None | None | None | Human | 9.0 | pEC50 | = | 9 | Functional | Guide to Pharmacology | 406 | 4 | 1 | 5 | 5.4 | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 | 19053768 | ||
| CHEMBL460491 | 4280 | 21 | None | None | None | Human | 9.0 | pEC50 | = | 9 | Functional | Guide to Pharmacology | 406 | 4 | 1 | 5 | 5.4 | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 | 19053768 | ||
| 133081963 | 2270 | 0 | None | -1 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | Guide to Pharmacology | 446 | 8 | 2 | 5 | 3.8 | O1CCC(CC1)NC/C=C/CN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 29350534 | ||
| 9883 | 2270 | 0 | None | -1 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | Guide to Pharmacology | 446 | 8 | 2 | 5 | 3.8 | O1CCC(CC1)NC/C=C/CN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 29350534 | ||
| CHEMBL4075205 | 2270 | 0 | None | -1 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | Guide to Pharmacology | 446 | 8 | 2 | 5 | 3.8 | O1CCC(CC1)NC/C=C/CN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 29350534 | ||
| 57345320 | 8342 | 12 | None | 34 | 7 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Guide to Pharmacology | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 29350534 | ||
| 9882 | 8342 | 12 | None | 34 | 7 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Guide to Pharmacology | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 29350534 | ||
| CHEMBL3091687 | 8342 | 12 | None | 34 | 7 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Guide to Pharmacology | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 29350534 | ||
| 25077385 | 769 | 0 | None | 3 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | Guide to Pharmacology | 1464 | 54 | 37 | 19 | -11.8 | NC(=N)NCCC[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N)CCCNC(=N)N)CCCNC(=N)N)CCCNC(=N)N)CCCNC(=N)N)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)C)CCCNC(=N)N)CCCNC(=N)N)CCCNC(=N)N)CCCNC(=N)N | 11923301 | ||
| 607 | 769 | 0 | None | 3 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | Guide to Pharmacology | 1464 | 54 | 37 | 19 | -11.8 | NC(=N)NCCC[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N)CCCNC(=N)N)CCCNC(=N)N)CCCNC(=N)N)CCCNC(=N)N)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)C)CCCNC(=N)N)CCCNC(=N)N)CCCNC(=N)N)CCCNC(=N)N | 11923301 | ||
| 11176403 | 4278 | 1 | None | -1 | 2 | Rat | 7.3 | pIC50 | = | 7.3 | Functional | Guide to Pharmacology | 378 | 4 | 1 | 5 | 4.6 | C1CCC(CC1)N/C(=N/C1CCCCC1)/SCc1csc2=NCCn12 | 19053768 | ||
| 2900 | 4278 | 1 | None | -1 | 2 | Rat | 7.3 | pIC50 | = | 7.3 | Functional | Guide to Pharmacology | 378 | 4 | 1 | 5 | 4.6 | C1CCC(CC1)N/C(=N/C1CCCCC1)/SCc1csc2=NCCn12 | 19053768 | ||
| CHEMBL452864 | 4278 | 1 | None | -1 | 2 | Rat | 7.3 | pIC50 | = | 7.3 | Functional | Guide to Pharmacology | 378 | 4 | 1 | 5 | 4.6 | C1CCC(CC1)N/C(=N/C1CCCCC1)/SCc1csc2=NCCn12 | 19053768 | ||
| 11176403 | 4278 | 1 | None | 1 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | Guide to Pharmacology | 378 | 4 | 1 | 5 | 4.6 | C1CCC(CC1)N/C(=N/C1CCCCC1)/SCc1csc2=NCCn12 | 19053768 | ||
| 2900 | 4278 | 1 | None | 1 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | Guide to Pharmacology | 378 | 4 | 1 | 5 | 4.6 | C1CCC(CC1)N/C(=N/C1CCCCC1)/SCc1csc2=NCCn12 | 19053768 | ||
| CHEMBL452864 | 4278 | 1 | None | 1 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | Guide to Pharmacology | 378 | 4 | 1 | 5 | 4.6 | C1CCC(CC1)N/C(=N/C1CCCCC1)/SCc1csc2=NCCn12 | 19053768 | ||
| 14549 | 2795 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Functional | Guide to Pharmacology | None | None | None | None | None | ||||
| 25147749 | 4280 | 21 | None | 26 | 2 | Rat | 8.0 | pIC50 | = | 8.0 | Functional | Guide to Pharmacology | 406 | 4 | 1 | 5 | 5.4 | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 | 19053768 | ||
| 2899 | 4280 | 21 | None | 26 | 2 | Rat | 8.0 | pIC50 | = | 8.0 | Functional | Guide to Pharmacology | 406 | 4 | 1 | 5 | 5.4 | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 | 19053768 | ||
| CHEMBL460491 | 4280 | 21 | None | 26 | 2 | Rat | 8.0 | pIC50 | = | 8.0 | Functional | Guide to Pharmacology | 406 | 4 | 1 | 5 | 5.4 | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 | 19053768 | ||
| 133081963 | 2270 | 0 | None | 1 | 2 | Mouse | 8.0 | pIC50 | = | 8.0 | Functional | Guide to Pharmacology | 446 | 8 | 2 | 5 | 3.8 | O1CCC(CC1)NC/C=C/CN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 29350534 | ||
| 9883 | 2270 | 0 | None | 1 | 2 | Mouse | 8.0 | pIC50 | = | 8.0 | Functional | Guide to Pharmacology | 446 | 8 | 2 | 5 | 3.8 | O1CCC(CC1)NC/C=C/CN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 29350534 | ||
| CHEMBL4075205 | 2270 | 0 | None | 1 | 2 | Mouse | 8.0 | pIC50 | = | 8.0 | Functional | Guide to Pharmacology | 446 | 8 | 2 | 5 | 3.8 | O1CCC(CC1)NC/C=C/CN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 29350534 | ||
| 25147749 | 4280 | 21 | None | -26 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Guide to Pharmacology | 406 | 4 | 1 | 5 | 5.4 | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 | 19053768 | ||
| 25147749 | 4280 | 21 | None | -26 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Guide to Pharmacology | 406 | 4 | 1 | 5 | 5.4 | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 | 30476826 | ||
| 2899 | 4280 | 21 | None | -26 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Guide to Pharmacology | 406 | 4 | 1 | 5 | 5.4 | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 | 19053768 | ||
| 2899 | 4280 | 21 | None | -26 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Guide to Pharmacology | 406 | 4 | 1 | 5 | 5.4 | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 | 30476826 | ||
| CHEMBL460491 | 4280 | 21 | None | -26 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Guide to Pharmacology | 406 | 4 | 1 | 5 | 5.4 | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 | 19053768 | ||
| CHEMBL460491 | 4280 | 21 | None | -26 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Guide to Pharmacology | 406 | 4 | 1 | 5 | 5.4 | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 | 30476826 | ||
| 16197445 | 8122 | 0 | None | None | None | Human | 8.4 | pIC50 | = | 8.4 | Functional | Guide to Pharmacology | 2181 | 51 | 40 | 29 | -8.0 | NCCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@H](NC1=O)CCCCN)CCC2)Cc1ccc(cc1)O)CCCNC(=N)N)CCCNC(=O)N)C(=O)N[C@H](C(=O)O)CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)N)CCCNC(=N)N | 9918823 | ||
| 852 | 8122 | 0 | None | None | None | Human | 8.4 | pIC50 | = | 8.4 | Functional | Guide to Pharmacology | 2181 | 51 | 40 | 29 | -8.0 | NCCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@H](NC1=O)CCCCN)CCC2)Cc1ccc(cc1)O)CCCNC(=N)N)CCCNC(=O)N)C(=O)N[C@H](C(=O)O)CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)N)CCCNC(=N)N | 9918823 | ||
| 16197316 | 8130 | 0 | None | None | None | Human | 7.3 | pIC50 | None | 7.3 | Functional | Guide to Pharmacology | 2485 | 51 | 42 | 35 | -7.3 | NCCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@H](C(=O)N)CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c3c1cccc3)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)N)CCCNC(=N)N)Cc1ccc(cc1)O)CCCNC(=N)N)CCCCN)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N2)Cc1ccc(cc1)O)CCCCN | 9918823 | ||
| 854 | 8130 | 0 | None | None | None | Human | 7.3 | pIC50 | None | 7.3 | Functional | Guide to Pharmacology | 2485 | 51 | 42 | 35 | -7.3 | NCCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@H](C(=O)N)CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c3c1cccc3)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)N)CCCNC(=N)N)Cc1ccc(cc1)O)CCCNC(=N)N)CCCCN)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N2)Cc1ccc(cc1)O)CCCCN | 9918823 | ||
| 16130395 | 8124 | 14 | None | None | None | Human | 8.2 | pIC50 | None | 8.2 | Functional | Guide to Pharmacology | 2036 | 47 | 35 | 27 | -6.1 | NCCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@H](NC1=O)CCCCN)CCC2)Cc1ccc(cc1)O)CCCNC(=N)N)CCCNC(=O)N)C(=O)N[C@H](C(=O)O)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)N)CCCNC(=N)N)Cc1ccc2c(c1)cccc2 | 11923301 | ||
| 16130395 | 8124 | 14 | None | None | None | Human | 8.2 | pIC50 | None | 8.2 | Functional | Guide to Pharmacology | 2036 | 47 | 35 | 27 | -6.1 | NCCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@H](NC1=O)CCCCN)CCC2)Cc1ccc(cc1)O)CCCNC(=N)N)CCCNC(=O)N)C(=O)N[C@H](C(=O)O)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)N)CCCNC(=N)N)Cc1ccc2c(c1)cccc2 | 9918823 | ||
| 853 | 8124 | 14 | None | None | None | Human | 8.2 | pIC50 | None | 8.2 | Functional | Guide to Pharmacology | 2036 | 47 | 35 | 27 | -6.1 | NCCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@H](NC1=O)CCCCN)CCC2)Cc1ccc(cc1)O)CCCNC(=N)N)CCCNC(=O)N)C(=O)N[C@H](C(=O)O)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)N)CCCNC(=N)N)Cc1ccc2c(c1)cccc2 | 11923301 | ||
| 853 | 8124 | 14 | None | None | None | Human | 8.2 | pIC50 | None | 8.2 | Functional | Guide to Pharmacology | 2036 | 47 | 35 | 27 | -6.1 | NCCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@H](NC1=O)CCCCN)CCC2)Cc1ccc(cc1)O)CCCNC(=N)N)CCCNC(=O)N)C(=O)N[C@H](C(=O)O)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)N)CCCNC(=N)N)Cc1ccc2c(c1)cccc2 | 9918823 | ||
| CHEMBL2370138 | 8124 | 14 | None | None | None | Human | 8.2 | pIC50 | None | 8.2 | Functional | Guide to Pharmacology | 2036 | 47 | 35 | 27 | -6.1 | NCCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@H](NC1=O)CCCCN)CCC2)Cc1ccc(cc1)O)CCCNC(=N)N)CCCNC(=O)N)C(=O)N[C@H](C(=O)O)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)N)CCCNC(=N)N)Cc1ccc2c(c1)cccc2 | 11923301 | ||
| CHEMBL2370138 | 8124 | 14 | None | None | None | Human | 8.2 | pIC50 | None | 8.2 | Functional | Guide to Pharmacology | 2036 | 47 | 35 | 27 | -6.1 | NCCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@H](NC1=O)CCCCN)CCC2)Cc1ccc(cc1)O)CCCNC(=N)N)CCCNC(=O)N)C(=O)N[C@H](C(=O)O)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)N)CCCNC(=N)N)Cc1ccc2c(c1)cccc2 | 9918823 | ||
| 486830 | 8678 | 0 | None | -7 | 5 | Human | 8.2 | pIC50 | None | 8.2 | Functional | Guide to Pharmacology | 1308 | 22 | 19 | 19 | -5.9 | NCCCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC1=O)CCCN=C(N)N)CCCN=C(N)N)CCC(=O)N)C(C)C)C(=O)O)[C@H](O)C | 9287217 | ||
| 768 | 8678 | 0 | None | -7 | 5 | Human | 8.2 | pIC50 | None | 8.2 | Functional | Guide to Pharmacology | 1308 | 22 | 19 | 19 | -5.9 | NCCCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC1=O)CCCN=C(N)N)CCCN=C(N)N)CCC(=O)N)C(C)C)C(=O)O)[C@H](O)C | 9287217 | ||
| 118965258 | 2534 | 0 | None | None | None | Human | 7.3 | pIC50 | ~ | 7.3 | Functional | Guide to Pharmacology | 649 | 18 | 6 | 12 | 2.7 | OC(=O)[C@H](CCC(=O)N1CCC(CC1)Nc1nc(NCc2nnn(c2)CCCNCCCNC2CCCCC2)nc2c1cccc2)N | 27938478 | ||
| 9701 | 2534 | 0 | None | None | None | Human | 7.3 | pIC50 | ~ | 7.3 | Functional | Guide to Pharmacology | 649 | 18 | 6 | 12 | 2.7 | OC(=O)[C@H](CCC(=O)N1CCC(CC1)Nc1nc(NCc2nnn(c2)CCCNCCCNC2CCCCC2)nc2c1cccc2)N | 27938478 | ||
| CHEMBL5613484 | 2534 | 0 | None | None | None | Human | 7.3 | pIC50 | ~ | 7.3 | Functional | Guide to Pharmacology | 649 | 18 | 6 | 12 | 2.7 | OC(=O)[C@H](CCC(=O)N1CCC(CC1)Nc1nc(NCc2nnn(c2)CCCNCCCNC2CCCCC2)nc2c1cccc2)N | 27938478 | ||
| 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 |
| 11565518 | 180712 | 59 | None | None | None | Human | 9.5 | pEC50 | = | 9.5 | Binding | ChEMBL | 290 | 6 | 2 | 4 | 3.7 | c1ccc(NCc2ccc(CNc3ccccn3)cc2)nc1 | 10.1021/jm070679i | |||
| CHEMBL237830 | 180712 | 59 | None | None | None | Human | 9.5 | pEC50 | = | 9.5 | Binding | ChEMBL | 290 | 6 | 2 | 4 | 3.7 | c1ccc(NCc2ccc(CNc3ccccn3)cc2)nc1 | 10.1021/jm070679i | |||
| 134143183 | 291963 | 0 | None | None | None | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 3080 | 81 | 50 | 42 | -10.0 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC(CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| CHEMBL3912645 | 291963 | 0 | None | None | None | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 3080 | 81 | 50 | 42 | -10.0 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC(CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| 118965395 | 312137 | 0 | None | None | None | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 613 | 19 | 6 | 12 | 1.7 | Cc1cc(NC2CCN(C(=O)CCNCC(=O)O)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 | 10.1021/acs.jmedchem.7b01322 | |||
| CHEMBL4064397 | 312137 | 0 | None | None | None | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 613 | 19 | 6 | 12 | 1.7 | Cc1cc(NC2CCN(C(=O)CCNCC(=O)O)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 | 10.1021/acs.jmedchem.7b01322 | |||
| CHEMBL3924080 | 487761 | 0 | None | None | None | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 3186 | 85 | 50 | 43 | -9.1 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| CHEMBL3905094 | 487750 | 0 | None | None | None | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 3080 | 81 | 50 | 42 | -10.0 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| CHEMBL3982241 | 487823 | 0 | None | None | None | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 3110 | 81 | 51 | 43 | -10.6 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| CHEMBL3974242 | 487808 | 0 | None | None | None | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 3194 | 83 | 51 | 43 | -9.3 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| 52945183 | 41092 | 0 | None | None | None | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 2648 | 62 | 39 | 31 | -3.3 | N=C(N)NCCC[C@H](NC(=O)[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c2ccc(F)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=O)CCC(=O)NCCCCCCN2CCC(NC(=O)C(=O)Nc3ccc(Cl)cc3)CC2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N1)C(N)=O | 10.1016/j.bmcl.2010.07.106 | |||
| 91933416 | 41092 | 0 | None | None | None | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 2648 | 62 | 39 | 31 | -3.3 | N=C(N)NCCC[C@H](NC(=O)[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c2ccc(F)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=O)CCC(=O)NCCCCCCN2CCC(NC(=O)C(=O)Nc3ccc(Cl)cc3)CC2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N1)C(N)=O | 10.1016/j.bmcl.2010.07.106 | |||
| CHEMBL1256529 | 41092 | 0 | None | None | None | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 2648 | 62 | 39 | 31 | -3.3 | N=C(N)NCCC[C@H](NC(=O)[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c2ccc(F)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=O)CCC(=O)NCCCCCCN2CCC(NC(=O)C(=O)Nc3ccc(Cl)cc3)CC2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N1)C(N)=O | 10.1016/j.bmcl.2010.07.106 | |||
| 45182189 | 276182 | 1 | None | None | None | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 399 | 8 | 1 | 4 | 4.3 | Oc1cccc(CN(CCN2CCCCC2)CC2CCCN(C3CCCC3)C2)c1 | 10.1016/j.ejmech.2016.02.051 | |||
| CHEMBL3781301 | 276182 | 1 | None | None | None | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 399 | 8 | 1 | 4 | 4.3 | Oc1cccc(CN(CCN2CCCCC2)CC2CCCN(C3CCCC3)C2)c1 | 10.1016/j.ejmech.2016.02.051 | |||
| 134139386 | 293288 | 0 | None | None | None | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 3137 | 86 | 45 | 43 | -6.4 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(C(=O)c2ccccc2)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| CHEMBL3923006 | 293288 | 0 | None | None | None | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 3137 | 86 | 45 | 43 | -6.4 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(C(=O)c2ccccc2)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| 52948854 | 41091 | 0 | None | None | None | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 2620 | 60 | 39 | 31 | -4.0 | N=C(N)NCCCC(NC(=O)[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c2ccc(F)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=O)CCC(=O)NCCCCN2CCC(NC(=O)C(=O)Nc3ccc(Cl)cc3)CC2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N1)C(N)=O | 10.1016/j.bmcl.2010.07.106 | |||
| 91933415 | 41091 | 0 | None | None | None | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 2620 | 60 | 39 | 31 | -4.0 | N=C(N)NCCCC(NC(=O)[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c2ccc(F)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=O)CCC(=O)NCCCCN2CCC(NC(=O)C(=O)Nc3ccc(Cl)cc3)CC2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N1)C(N)=O | 10.1016/j.bmcl.2010.07.106 | |||
| CHEMBL1256528 | 41091 | 0 | None | None | None | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 2620 | 60 | 39 | 31 | -4.0 | N=C(N)NCCCC(NC(=O)[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c2ccc(F)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=O)CCC(=O)NCCCCN2CCC(NC(=O)C(=O)Nc3ccc(Cl)cc3)CC2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N1)C(N)=O | 10.1016/j.bmcl.2010.07.106 | |||
| CHEMBL3914095 | 487755 | 0 | None | None | None | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 3011 | 78 | 48 | 42 | -10.3 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| 52942784 | 41093 | 0 | None | None | None | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 2676 | 64 | 39 | 31 | -2.5 | N=C(N)NCCC[C@H](NC(=O)[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c2ccc(F)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=O)CCC(=O)NCCCCCCCCN2CCC(NC(=O)C(=O)Nc3ccc(Cl)cc3)CC2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N1)C(N)=O | 10.1016/j.bmcl.2010.07.106 | |||
| 91933417 | 41093 | 0 | None | None | None | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 2676 | 64 | 39 | 31 | -2.5 | N=C(N)NCCC[C@H](NC(=O)[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c2ccc(F)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=O)CCC(=O)NCCCCCCCCN2CCC(NC(=O)C(=O)Nc3ccc(Cl)cc3)CC2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N1)C(N)=O | 10.1016/j.bmcl.2010.07.106 | |||
| CHEMBL1256530 | 41093 | 0 | None | None | None | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 2676 | 64 | 39 | 31 | -2.5 | N=C(N)NCCC[C@H](NC(=O)[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c2ccc(F)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=O)CCC(=O)NCCCCCCCCN2CCC(NC(=O)C(=O)Nc3ccc(Cl)cc3)CC2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N1)C(N)=O | 10.1016/j.bmcl.2010.07.106 | |||
| 134138747 | 294156 | 0 | None | None | None | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 3170 | 84 | 51 | 43 | -9.6 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C/C=C/c1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| CHEMBL3930215 | 294156 | 0 | None | None | None | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 3170 | 84 | 51 | 43 | -9.6 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C/C=C/c1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| CHEMBL3903301 | 487749 | 0 | None | None | None | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 3248 | 85 | 51 | 44 | -9.2 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(C(=O)c2ccccc2)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| 56750906 | 241557 | 3 | None | None | None | Human | 4.3 | pEC50 | = | 4.3 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 3.8 | c1ccc(Cc2cn[nH]c2C2CCN(Cc3ccncc3)CC2)cc1 | 10.1021/acsmedchemlett.5b00036 | |||
| CHEMBL3608763 | 241557 | 3 | None | None | None | Human | 4.3 | pEC50 | = | 4.3 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 3.8 | c1ccc(Cc2cn[nH]c2C2CCN(Cc3ccncc3)CC2)cc1 | 10.1021/acsmedchemlett.5b00036 | |||
| CHEMBL3896146 | 487737 | 0 | None | None | None | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 3080 | 81 | 50 | 42 | -10.0 | CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| CHEMBL3976727 | 487811 | 0 | None | None | None | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 3096 | 82 | 51 | 43 | -11.0 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| 134150065 | 298290 | 0 | None | None | None | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 2985 | 83 | 45 | 42 | -8.2 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| CHEMBL3963915 | 298290 | 0 | None | None | None | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 2985 | 83 | 45 | 42 | -8.2 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| 134134119 | 289950 | 0 | None | None | None | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 3125 | 83 | 50 | 44 | -10.8 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| CHEMBL3896065 | 289950 | 0 | None | None | None | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 3125 | 83 | 50 | 44 | -10.8 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| 134132933 | 291912 | 0 | None | None | None | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 3169 | 82 | 52 | 43 | -9.8 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)c1cc2ccccc2[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| CHEMBL3912312 | 291912 | 0 | None | None | None | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 3169 | 82 | 52 | 43 | -9.8 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)c1cc2ccccc2[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| CHEMBL3978794 | 487814 | 0 | None | None | None | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 3080 | 82 | 50 | 42 | -10.7 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| 2719 | 1891 | 63 | None | None | None | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | 10.1016/j.ejmech.2018.08.028 | |||
| 5535 | 1891 | 63 | None | None | None | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | 10.1016/j.ejmech.2018.08.028 | |||
| 607 | 1891 | 63 | None | None | None | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | 10.1016/j.ejmech.2018.08.028 | |||
| CHEMBL76 | 1891 | 63 | None | None | None | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | 10.1016/j.ejmech.2018.08.028 | |||
| DB00608 | 1891 | 63 | None | None | None | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | 10.1016/j.ejmech.2018.08.028 | |||
| 56955853 | 276079 | 1 | None | None | None | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 501 | 12 | 5 | 7 | 4.8 | c1ccc2c(NC3CCNCC3)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)nc2c1 | 10.1016/j.ejmech.2016.02.051 | |||
| CHEMBL3779982 | 276079 | 1 | None | None | None | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 501 | 12 | 5 | 7 | 4.8 | c1ccc2c(NC3CCNCC3)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)nc2c1 | 10.1016/j.ejmech.2016.02.051 | |||
| 52942784 | 41093 | 0 | None | None | None | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 2676 | 64 | 39 | 31 | -2.5 | N=C(N)NCCC[C@H](NC(=O)[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c2ccc(F)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=O)CCC(=O)NCCCCCCCCN2CCC(NC(=O)C(=O)Nc3ccc(Cl)cc3)CC2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N1)C(N)=O | 10.1016/j.bmcl.2010.07.106 | |||
| 91933417 | 41093 | 0 | None | None | None | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 2676 | 64 | 39 | 31 | -2.5 | N=C(N)NCCC[C@H](NC(=O)[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c2ccc(F)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=O)CCC(=O)NCCCCCCCCN2CCC(NC(=O)C(=O)Nc3ccc(Cl)cc3)CC2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N1)C(N)=O | 10.1016/j.bmcl.2010.07.106 | |||
| CHEMBL1256530 | 41093 | 0 | None | None | None | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 2676 | 64 | 39 | 31 | -2.5 | N=C(N)NCCC[C@H](NC(=O)[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c2ccc(F)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=O)CCC(=O)NCCCCCCCCN2CCC(NC(=O)C(=O)Nc3ccc(Cl)cc3)CC2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N1)C(N)=O | 10.1016/j.bmcl.2010.07.106 | |||
| 56750906 | 241557 | 3 | None | None | None | Human | 4.2 | pEC50 | = | 4.2 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 3.8 | c1ccc(Cc2cn[nH]c2C2CCN(Cc3ccncc3)CC2)cc1 | 10.1021/acsmedchemlett.5b00036 | |||
| CHEMBL3608763 | 241557 | 3 | None | None | None | Human | 4.2 | pEC50 | = | 4.2 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 3.8 | c1ccc(Cc2cn[nH]c2C2CCN(Cc3ccncc3)CC2)cc1 | 10.1021/acsmedchemlett.5b00036 | |||
| 134155140 | 297785 | 0 | None | None | None | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 3268 | 83 | 51 | 43 | -7.5 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cc2cccc3ccc4cccc1c4c32)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| CHEMBL3959440 | 297785 | 0 | None | None | None | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 3268 | 83 | 51 | 43 | -7.5 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cc2cccc3ccc4cccc1c4c32)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| CHEMBL3955461 | 487792 | 0 | None | None | None | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 3184 | 84 | 50 | 43 | -9.5 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| 134135404 | 290691 | 0 | None | None | None | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 3244 | 83 | 51 | 43 | -8.1 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc2cc3ccccc3cc2c1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| CHEMBL3902240 | 290691 | 0 | None | None | None | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 3244 | 83 | 51 | 43 | -8.1 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc2cc3ccccc3cc2c1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| CHEMBL3940962 | 487774 | 0 | None | None | None | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 3098 | 82 | 50 | 42 | -10.6 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| CHEMBL3949729 | 487784 | 0 | None | None | None | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 3095 | 82 | 51 | 43 | -11.1 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(N)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| CHEMBL3924163 | 487762 | 0 | None | None | None | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 3068 | 81 | 51 | 43 | -11.6 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| CHEMBL3970509 | 487805 | 0 | None | None | None | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 3206 | 82 | 50 | 42 | -10.1 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| 11565518 | 180712 | 59 | None | None | None | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 290 | 6 | 2 | 4 | 3.7 | c1ccc(NCc2ccc(CNc3ccccn3)cc2)nc1 | 10.1016/j.ejmech.2017.08.027 | |||
| CHEMBL237830 | 180712 | 59 | None | None | None | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 290 | 6 | 2 | 4 | 3.7 | c1ccc(NCc2ccc(CNc3ccccn3)cc2)nc1 | 10.1016/j.ejmech.2017.08.027 | |||
| 11718722 | 40540 | 12 | None | None | None | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 420 | 5 | 1 | 7 | 2.5 | CN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)c(CO)n23)CC1 | 10.1128/aac.01293-09 | |||
| CHEMBL1242210 | 40540 | 12 | None | None | None | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 420 | 5 | 1 | 7 | 2.5 | CN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)c(CO)n23)CC1 | 10.1128/aac.01293-09 | |||
| 11950261 | 40541 | 7 | None | None | None | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 479 | 17 | 1 | 6 | 4.7 | CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 | 10.1128/aac.01727-08 | |||
| CHEMBL1242211 | 40541 | 7 | None | None | None | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 479 | 17 | 1 | 6 | 4.7 | CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 | 10.1128/aac.01727-08 | |||
| 11950261 | 40541 | 7 | None | None | None | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 479 | 17 | 1 | 6 | 4.7 | CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 | 10.1128/aac.01727-08 | |||
| CHEMBL1242211 | 40541 | 7 | None | None | None | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 479 | 17 | 1 | 6 | 4.7 | CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 | 10.1128/aac.01727-08 | |||
| CHEMBL393882 | 487773 | 5 | None | None | None | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 2036 | 47 | 34 | 27 | -6.5 | N=C(N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1021/jm070679i | |||
| 11950261 | 40541 | 7 | None | None | None | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 479 | 17 | 1 | 6 | 4.7 | CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 | 10.1128/aac.01727-08 | |||
| CHEMBL1242211 | 40541 | 7 | None | None | None | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 479 | 17 | 1 | 6 | 4.7 | CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 | 10.1128/aac.01727-08 | |||
| 11950261 | 40541 | 7 | None | None | None | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 479 | 17 | 1 | 6 | 4.7 | CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 | 10.1016/j.ejmech.2018.02.043 | |||
| CHEMBL1242211 | 40541 | 7 | None | None | None | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 479 | 17 | 1 | 6 | 4.7 | CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 | 10.1016/j.ejmech.2018.02.043 | |||
| 11950261 | 40541 | 7 | None | None | None | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 479 | 17 | 1 | 6 | 4.7 | CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 | 10.1128/aac.01727-08 | |||
| CHEMBL1242211 | 40541 | 7 | None | None | None | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 479 | 17 | 1 | 6 | 4.7 | CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 | 10.1128/aac.01727-08 | |||
| 4410 | 6381 | 68 | None | None | None | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m705302200 | |||
| 65015 | 6381 | 68 | None | None | None | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m705302200 | |||
| 844 | 6381 | 68 | None | None | None | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m705302200 | |||
| CHEMBL18442 | 6381 | 68 | None | None | None | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m705302200 | |||
| DB06809 | 6381 | 68 | None | None | None | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m705302200 | |||
| 4410 | 6381 | 68 | None | None | None | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/acs.jmedchem.6b01309 | |||
| 65015 | 6381 | 68 | None | None | None | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/acs.jmedchem.6b01309 | |||
| 844 | 6381 | 68 | None | None | None | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/acs.jmedchem.6b01309 | |||
| CHEMBL18442 | 6381 | 68 | None | None | None | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/acs.jmedchem.6b01309 | |||
| DB06809 | 6381 | 68 | None | None | None | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/acs.jmedchem.6b01309 | |||
| 49857485 | 136140 | 0 | None | None | None | Rat | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 309 | 6 | 2 | 5 | 3.2 | Fc1ccc(NCc2ccc(CNc3ncccn3)cc2)nc1 | nan | |||
| CHEMBL1802286 | 136140 | 0 | None | None | None | Rat | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 309 | 6 | 2 | 5 | 3.2 | Fc1ccc(NCc2ccc(CNc3ncccn3)cc2)nc1 | nan | |||
| 49857486 | 136141 | 0 | None | None | None | Rat | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 309 | 6 | 2 | 5 | 3.2 | Fc1cccc(NCc2ccc(CNc3ncccn3)cc2)n1 | nan | |||
| CHEMBL1802287 | 136141 | 0 | None | None | None | Rat | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 309 | 6 | 2 | 5 | 3.2 | Fc1cccc(NCc2ccc(CNc3ncccn3)cc2)n1 | nan | |||
| 49857488 | 136144 | 0 | None | None | None | Rat | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 325 | 6 | 2 | 5 | 3.7 | Clc1cccc(NCc2ccc(CNc3ncccn3)cc2)n1 | nan | |||
| CHEMBL1802323 | 136144 | 0 | None | None | None | Rat | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 325 | 6 | 2 | 5 | 3.7 | Clc1cccc(NCc2ccc(CNc3ncccn3)cc2)n1 | nan | |||
| 49857681 | 136147 | 0 | None | None | None | Rat | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 328 | 6 | 2 | 6 | 2.8 | Fc1nccc(NCc2ccc(CNc3ccnc(F)n3)cc2)n1 | nan | |||
| CHEMBL1802330 | 136147 | 0 | None | None | None | Rat | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 328 | 6 | 2 | 6 | 2.8 | Fc1nccc(NCc2ccc(CNc3ccnc(F)n3)cc2)n1 | nan | |||
| 23656764 | 180507 | 0 | None | None | None | Rat | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 348 | 8 | 2 | 4 | 4.9 | COc1cccc(NCc2ccc(CNc3cccc(OC)c3)cc2)c1 | nan | |||
| CHEMBL237629 | 180507 | 0 | None | None | None | Rat | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 348 | 8 | 2 | 4 | 4.9 | COc1cccc(NCc2ccc(CNc3cccc(OC)c3)cc2)c1 | nan | |||
| 58757240 | 289957 | 0 | None | None | None | Rat | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 364 | 6 | 2 | 6 | 3.0 | Fc1cc(F)nc(NCc2ccc(CNc3nc(F)cc(F)n3)cc2)n1 | nan | |||
| CHEMBL3896101 | 289957 | 0 | None | None | None | Rat | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 364 | 6 | 2 | 6 | 3.0 | Fc1cc(F)nc(NCc2ccc(CNc3nc(F)cc(F)n3)cc2)n1 | nan | |||
| 58757245 | 291995 | 0 | None | None | None | Rat | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 258 | 5 | 2 | 4 | 2.7 | O=[N+]([O-])c1ccccc1NCc1ccc(CO)cc1 | nan | |||
| CHEMBL3912875 | 291995 | 0 | None | None | None | Rat | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 258 | 5 | 2 | 4 | 2.7 | O=[N+]([O-])c1ccccc1NCc1ccc(CO)cc1 | nan | |||
| 8241714 | 293433 | 0 | None | None | None | Rat | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 378 | 8 | 2 | 6 | 4.7 | O=[N+]([O-])c1cccc(NCc2ccc(CNc3cccc([N+](=O)[O-])c3)cc2)c1 | nan | |||
| CHEMBL392423 | 293433 | 0 | None | None | None | Rat | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 378 | 8 | 2 | 6 | 4.7 | O=[N+]([O-])c1cccc(NCc2ccc(CNc3cccc([N+](=O)[O-])c3)cc2)c1 | nan | |||
| 58757241 | 298399 | 0 | None | None | None | Rat | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 396 | 6 | 2 | 6 | 4.1 | Fc1cnc(NCc2ccc(CNc3ncc(F)c(Cl)n3)cc2)nc1Cl | nan | |||
| CHEMBL3964805 | 298399 | 0 | None | None | None | Rat | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 396 | 6 | 2 | 6 | 4.1 | Fc1cnc(NCc2ccc(CNc3ncc(F)c(Cl)n3)cc2)nc1Cl | nan | |||
| 58757238 | 310238 | 0 | None | None | None | Rat | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 217 | 4 | 1 | 3 | 2.6 | FCc1ccc(CNc2ncccn2)cc1 | nan | |||
| CHEMBL3985608 | 310238 | 0 | None | None | None | Rat | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 217 | 4 | 1 | 3 | 2.6 | FCc1ccc(CNc2ncccn2)cc1 | nan | |||
| 58757235 | 310293 | 0 | None | None | None | Rat | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 388 | 8 | 2 | 8 | 2.8 | COc1nc(NCc2ccc(CNc3ncc(F)c(OC)n3)cc2)ncc1F | nan | |||
| CHEMBL3986129 | 310293 | 0 | None | None | None | Rat | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 388 | 8 | 2 | 8 | 2.8 | COc1nc(NCc2ccc(CNc3ncc(F)c(OC)n3)cc2)ncc1F | nan | |||
| 11950261 | 40541 | 7 | None | None | None | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 479 | 17 | 1 | 6 | 4.7 | CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 | 10.1128/aac.01727-08 | |||
| CHEMBL1242211 | 40541 | 7 | None | None | None | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 479 | 17 | 1 | 6 | 4.7 | CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 | 10.1128/aac.01727-08 | |||
| 11950261 | 40541 | 7 | None | None | None | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 479 | 17 | 1 | 6 | 4.7 | CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 | 10.1128/aac.01727-08 | |||
| CHEMBL1242211 | 40541 | 7 | None | None | None | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 479 | 17 | 1 | 6 | 4.7 | CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 | 10.1128/aac.01727-08 | |||
| 477104 | 235731 | 6 | None | None | None | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 570 | 4 | 4 | 8 | 2.0 | c1cc2nc(c1)CCNCCN(Cc1ccc(CN3CCNCCc4cccc(n4)CCNCC3)cc1)CCNCC2 | 10.1021/jm990211i | |||
| CHEMBL338074 | 235731 | 6 | None | None | None | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 570 | 4 | 4 | 8 | 2.0 | c1cc2nc(c1)CCNCCN(Cc1ccc(CN3CCNCCc4cccc(n4)CCNCC3)cc1)CCNCC2 | 10.1021/jm990211i | |||
| 25147749 | 4280 | 21 | None | None | None | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 5.4 | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 | 10.1021/acs.jmedchem.6b01309 | |||
| 2899 | 4280 | 21 | None | None | None | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 5.4 | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 | 10.1021/acs.jmedchem.6b01309 | |||
| CHEMBL460491 | 4280 | 21 | None | None | None | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 5.4 | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 | 10.1021/acs.jmedchem.6b01309 | |||
| 11950261 | 40541 | 7 | None | None | None | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 479 | 17 | 1 | 6 | 4.7 | CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 | 10.1128/aac.01727-08 | |||
| CHEMBL1242211 | 40541 | 7 | None | None | None | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 479 | 17 | 1 | 6 | 4.7 | CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 | 10.1128/aac.01727-08 | |||
| 11950261 | 40541 | 7 | None | None | None | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 479 | 17 | 1 | 6 | 4.7 | CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 | 10.1128/aac.01727-08 | |||
| CHEMBL1242211 | 40541 | 7 | None | None | None | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 479 | 17 | 1 | 6 | 4.7 | CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 | 10.1128/aac.01727-08 | |||
| CHEMBL2012527 | 477505 | 0 | None | None | None | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 2937 | 77 | 47 | 40 | -7.9 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)CC1=O | 10.1021/ml200084n | |||
| 131801411 | 314193 | 1 | None | None | None | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 1009 | 18 | 15 | 13 | -1.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116911 | |||
| 177379330 | 314193 | 1 | None | None | None | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 1009 | 18 | 15 | 13 | -1.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116911 | |||
| 178323467 | 314193 | 1 | None | None | None | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 1009 | 18 | 15 | 13 | -1.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116911 | |||
| CHEMBL4089168 | 314193 | 1 | None | None | None | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 1009 | 18 | 15 | 13 | -1.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116911 | |||
| CHEMBL5612681 | 314193 | 1 | None | None | None | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 1009 | 18 | 15 | 13 | -1.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116911 | |||
| CHEMBL6175379 | 314193 | 1 | None | None | None | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 1009 | 18 | 15 | 13 | -1.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116911 | |||
| 11950261 | 40541 | 7 | None | None | None | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 479 | 17 | 1 | 6 | 4.7 | CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 | 10.1128/aac.01727-08 | |||
| CHEMBL1242211 | 40541 | 7 | None | None | None | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 479 | 17 | 1 | 6 | 4.7 | CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 | 10.1128/aac.01727-08 | |||
| 137648951 | 313324 | 0 | None | None | None | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 1019 | 18 | 14 | 12 | -0.2 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/acs.jmedchem.7b01062 | |||
| CHEMBL4078698 | 313324 | 0 | None | None | None | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 1019 | 18 | 14 | 12 | -0.2 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/acs.jmedchem.7b01062 | |||
| CHEMBL2012525 | 477503 | 0 | None | None | None | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 2035 | 47 | 34 | 27 | -5.0 | N=C(N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)CC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1021/ml200084n | |||
| 155525671 | 335656 | 0 | None | None | None | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 551 | 8 | 3 | 7 | 4.2 | c1ccc(CN(Cc2ccc3c(CN4CCCNCCNCCCNCC4)cccc3c2)Cc2ccccn2)nc1 | 10.1016/j.bmc.2019.02.013 | |||
| CHEMBL4457992 | 335656 | 0 | None | None | None | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 551 | 8 | 3 | 7 | 4.2 | c1ccc(CN(Cc2ccc3c(CN4CCCNCCNCCCNCC4)cccc3c2)Cc2ccccn2)nc1 | 10.1016/j.bmc.2019.02.013 | |||
| 11950261 | 40541 | 7 | None | None | None | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 479 | 17 | 1 | 6 | 4.7 | CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 | 10.1128/aac.01727-08 | |||
| CHEMBL1242211 | 40541 | 7 | None | None | None | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 479 | 17 | 1 | 6 | 4.7 | CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 | 10.1128/aac.01727-08 | |||
| 11950261 | 40541 | 7 | None | None | None | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 479 | 17 | 1 | 6 | 4.7 | CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 | 10.1128/aac.01727-08 | |||
| CHEMBL1242211 | 40541 | 7 | None | None | None | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 479 | 17 | 1 | 6 | 4.7 | CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 | 10.1128/aac.01727-08 | |||
| 138501629 | 355550 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 380 | 5 | 0 | 6 | 2.8 | CCN1CCN(c2cc(CN(C)[C@H]3CCCc4cccnc43)nc(C)n2)CC1 | 10.1016/j.ejmech.2019.111914 | |||
| CHEMBL4776865 | 355550 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 380 | 5 | 0 | 6 | 2.8 | CCN1CCN(c2cc(CN(C)[C@H]3CCCc4cccnc43)nc(C)n2)CC1 | 10.1016/j.ejmech.2019.111914 | |||
| 21985015 | 119698 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 440 | 7 | 3 | 5 | 3.6 | NCc1cc(C(N)=O)ccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 | 10.1016/j.bmcl.2024.130027 | |||
| CHEMBL1644078 | 119698 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 440 | 7 | 3 | 5 | 3.6 | NCc1cc(C(N)=O)ccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 | 10.1016/j.bmcl.2024.130027 | |||
| 178296693 | 466777 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 483 | 8 | 2 | 7 | 3.9 | COC(=O)C(=O)c1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)c(CN)c1 | 10.1016/j.bmcl.2024.130027 | |||
| CHEMBL6160909 | 466777 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 483 | 8 | 2 | 7 | 3.9 | COC(=O)C(=O)c1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)c(CN)c1 | 10.1016/j.bmcl.2024.130027 | |||
| 49857097 | 136137 | 0 | None | None | None | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 430 | 6 | 2 | 8 | 3.9 | Clc1nc(Cl)nc(NCc2ccc(CNc3nc(Cl)nc(Cl)n3)cc2)n1 | nan | |||
| CHEMBL1802282 | 136137 | 0 | None | None | None | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 430 | 6 | 2 | 8 | 3.9 | Clc1nc(Cl)nc(NCc2ccc(CNc3nc(Cl)nc(Cl)n3)cc2)n1 | nan | |||
| 49857287 | 136138 | 0 | None | None | None | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 290 | 6 | 2 | 4 | 3.7 | c1ccc(NCc2ccc(CNc3ncccn3)cc2)cc1 | nan | |||
| CHEMBL1802283 | 136138 | 0 | None | None | None | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 290 | 6 | 2 | 4 | 3.7 | c1ccc(NCc2ccc(CNc3ncccn3)cc2)cc1 | nan | |||
| 49857487 | 136143 | 0 | None | None | None | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 325 | 6 | 2 | 5 | 3.7 | Clc1ccc(NCc2ccc(CNc3ncccn3)cc2)nc1 | nan | |||
| CHEMBL1802322 | 136143 | 0 | None | None | None | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 325 | 6 | 2 | 5 | 3.7 | Clc1ccc(NCc2ccc(CNc3ncccn3)cc2)nc1 | nan | |||
| 23656445 | 179408 | 0 | None | None | None | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 344 | 6 | 2 | 2 | 6.1 | Cc1c(C)c(CNc2ccccc2)c(C)c(C)c1CNc1ccccc1 | nan | |||
| CHEMBL235310 | 179408 | 0 | None | None | None | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 344 | 6 | 2 | 2 | 6.1 | Cc1c(C)c(CNc2ccccc2)c(C)c(C)c1CNc1ccccc1 | nan | |||
| 3313778 | 180377 | 1 | None | None | None | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 316 | 6 | 2 | 2 | 5.5 | Cc1ccc(NCc2ccc(CNc3ccc(C)cc3)cc2)cc1 | nan | |||
| CHEMBL237439 | 180377 | 1 | None | None | None | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 316 | 6 | 2 | 2 | 5.5 | Cc1ccc(NCc2ccc(CNc3ccc(C)cc3)cc2)cc1 | nan | |||
| 328731 | 180388 | 2 | None | None | None | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 344 | 8 | 2 | 2 | 6.0 | CCc1ccc(NCc2ccc(CNc3ccc(CC)cc3)cc2)cc1 | nan | |||
| CHEMBL237440 | 180388 | 2 | None | None | None | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 344 | 8 | 2 | 2 | 6.0 | CCc1ccc(NCc2ccc(CNc3ccc(CC)cc3)cc2)cc1 | nan | |||
| 8241537 | 180711 | 0 | None | None | None | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 348 | 8 | 2 | 4 | 4.9 | COc1ccccc1NCc1ccc(CNc2ccccc2OC)cc1 | nan | |||
| CHEMBL237829 | 180711 | 0 | None | None | None | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 348 | 8 | 2 | 4 | 4.9 | COc1ccccc1NCc1ccc(CNc2ccccc2OC)cc1 | nan | |||
| 58757230 | 291588 | 0 | None | None | None | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 352 | 8 | 2 | 8 | 2.5 | COc1ccnc(NCc2ccc(CNc3nccc(OC)n3)cc2)n1 | nan | |||
| CHEMBL3909689 | 291588 | 0 | None | None | None | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 352 | 8 | 2 | 8 | 2.5 | COc1ccnc(NCc2ccc(CNc3nccc(OC)n3)cc2)n1 | nan | |||
| 58757229 | 294480 | 0 | None | None | None | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 290 | 6 | 2 | 4 | 3.7 | c1cncc(NCc2ccc(CNc3cccnc3)cc2)c1 | nan | |||
| CHEMBL3932667 | 294480 | 0 | None | None | None | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 290 | 6 | 2 | 4 | 3.7 | c1cncc(NCc2ccc(CNc3cccnc3)cc2)c1 | nan | |||
| 24804043 | 297600 | 0 | None | None | None | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 291 | 6 | 1 | 4 | 3.7 | c1ccc(OCc2ccc(CNc3ncccn3)cc2)cc1 | nan | |||
| CHEMBL3958019 | 297600 | 0 | None | None | None | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 291 | 6 | 1 | 4 | 3.7 | c1ccc(OCc2ccc(CNc3ncccn3)cc2)cc1 | nan | |||
| 155546592 | 347630 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 551 | 8 | 3 | 7 | 4.2 | c1ccc(CN(Cc2ccc3cc(CN4CCCNCCNCCCNCC4)ccc3c2)Cc2ccccn2)nc1 | 10.1016/j.bmc.2019.02.013 | |||
| CHEMBL4531581 | 347630 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 551 | 8 | 3 | 7 | 4.2 | c1ccc(CN(Cc2ccc3cc(CN4CCCNCCNCCCNCC4)ccc3c2)Cc2ccccn2)nc1 | 10.1016/j.bmc.2019.02.013 | |||
| 25147749 | 4280 | 21 | None | None | None | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 5.4 | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 | 10.1016/j.ejmech.2018.10.060 | |||
| 2899 | 4280 | 21 | None | None | None | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 5.4 | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 | 10.1016/j.ejmech.2018.10.060 | |||
| CHEMBL460491 | 4280 | 21 | None | None | None | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 5.4 | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 | 10.1016/j.ejmech.2018.10.060 | |||
| 25147749 | 4280 | 21 | None | None | None | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 5.4 | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 | 10.1016/j.ejmech.2018.10.060 | |||
| 2899 | 4280 | 21 | None | None | None | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 5.4 | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 | 10.1016/j.ejmech.2018.10.060 | |||
| CHEMBL460491 | 4280 | 21 | None | None | None | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 5.4 | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 | 10.1016/j.ejmech.2018.10.060 | |||
| 44482322 | 20038 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 329 | 6 | 4 | 4 | 1.0 | COc1ccc(/C=C/N2C(=O)N/C(=C\CCNC(=N)N)C2=O)cc1 | 10.1016/j.ejmech.2024.116594 | |||
| CHEMBL1078089 | 20038 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 329 | 6 | 4 | 4 | 1.0 | COc1ccc(/C=C/N2C(=O)N/C(=C\CCNC(=N)N)C2=O)cc1 | 10.1016/j.ejmech.2024.116594 | |||
| 59053149 | 331440 | 6 | None | None | None | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 419 | 9 | 5 | 5 | 3.0 | N=C(N)NCCCCCNc1noc(Cc2c[nH]c3cc(Br)ccc23)n1 | 10.1016/j.ejmech.2024.116594 | |||
| CHEMBL4280846 | 331440 | 6 | None | None | None | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 419 | 9 | 5 | 5 | 3.0 | N=C(N)NCCCCCNc1noc(Cc2c[nH]c3cc(Br)ccc23)n1 | 10.1016/j.ejmech.2024.116594 | |||
| CHEMBL192183 | 484986 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 727 | 9 | 10 | 8 | -1.6 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H]2C[C@@H](N=C(N)N)CN2C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm050009h | |||
| 51346852 | 121227 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 325 | 7 | 2 | 5 | 2.7 | NCCCCN(Cc1ncccc1N)[C@H]1CCCc2cccnc21 | 10.1016/j.bmcl.2011.01.021 | |||
| CHEMBL1682996 | 121227 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 325 | 7 | 2 | 5 | 2.7 | NCCCCN(Cc1ncccc1N)[C@H]1CCCc2cccnc21 | 10.1016/j.bmcl.2011.01.021 | |||
| 4410 | 6381 | 68 | None | None | None | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | nan | |||
| 65015 | 6381 | 68 | None | None | None | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | nan | |||
| 844 | 6381 | 68 | None | None | None | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | nan | |||
| CHEMBL18442 | 6381 | 68 | None | None | None | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | nan | |||
| DB06809 | 6381 | 68 | None | None | None | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | nan | |||
| 49857288 | 136139 | 0 | None | None | None | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 308 | 6 | 2 | 4 | 3.8 | Fc1ccccc1NCc1ccc(CNc2ncccn2)cc1 | nan | |||
| CHEMBL1802284 | 136139 | 0 | None | None | None | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 308 | 6 | 2 | 4 | 3.8 | Fc1ccccc1NCc1ccc(CNc2ncccn2)cc1 | nan | |||
| 24804044 | 291775 | 0 | None | None | None | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 292 | 6 | 1 | 5 | 3.1 | c1ccc(OCc2ccc(CNc3ncccn3)cc2)nc1 | nan | |||
| CHEMBL3911200 | 291775 | 0 | None | None | None | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 292 | 6 | 1 | 5 | 3.1 | c1ccc(OCc2ccc(CNc3ncccn3)cc2)nc1 | nan | |||
| 89957222 | 294524 | 0 | None | None | None | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 332 | 7 | 3 | 3 | 4.6 | O=C(O)c1cccc(NCc2ccc(CNc3ccccc3)cc2)c1 | nan | |||
| CHEMBL3932956 | 294524 | 0 | None | None | None | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 332 | 7 | 3 | 3 | 4.6 | O=C(O)c1cccc(NCc2ccc(CNc3ccccc3)cc2)c1 | nan | |||
| 58757244 | 309534 | 0 | None | None | None | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 366 | 6 | 2 | 8 | 1.8 | Fc1nc(F)nc(NCc2ccc(CNc3nc(F)nc(F)n3)cc2)n1 | nan | |||
| CHEMBL3979002 | 309534 | 0 | None | None | None | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 366 | 6 | 2 | 8 | 1.8 | Fc1nc(F)nc(NCc2ccc(CNc3nc(F)nc(F)n3)cc2)n1 | nan | |||
| 58757234 | 310373 | 0 | None | None | None | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 229 | 5 | 1 | 4 | 2.2 | COCc1ccc(CNc2ncccn2)cc1 | nan | |||
| CHEMBL3986703 | 310373 | 0 | None | None | None | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 229 | 5 | 1 | 4 | 2.2 | COCc1ccc(CNc2ncccn2)cc1 | nan | |||
| 70694124 | 156226 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 740 | 12 | 11 | 7 | 1.4 | C/C1=C(/C)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=N)N | 10.1021/jm2016914 | |||
| 70694125 | 156226 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 740 | 12 | 11 | 7 | 1.4 | C/C1=C(/C)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=N)N | 10.1021/jm2016914 | |||
| CHEMBL2029610 | 156226 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 740 | 12 | 11 | 7 | 1.4 | C/C1=C(/C)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=N)N | 10.1021/jm2016914 | |||
| CHEMBL2029611 | 156226 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 740 | 12 | 11 | 7 | 1.4 | C/C1=C(/C)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=N)N | 10.1021/jm2016914 | |||
| 259647 | 290164 | 11 | None | None | None | Rat | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 290 | 6 | 0 | 2 | 4.8 | c1ccc(OCc2ccc(COc3ccccc3)cc2)cc1 | nan | |||
| CHEMBL3897880 | 290164 | 11 | None | None | None | Rat | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 290 | 6 | 0 | 2 | 4.8 | c1ccc(OCc2ccc(COc3ccccc3)cc2)cc1 | nan | |||
| 611565 | 298524 | 0 | None | None | None | Rat | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 322 | 6 | 0 | 2 | 6.3 | c1ccc(SCc2ccc(CSc3ccccc3)cc2)cc1 | nan | |||
| CHEMBL3965823 | 298524 | 0 | None | None | None | Rat | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 322 | 6 | 0 | 2 | 6.3 | c1ccc(SCc2ccc(CSc3ccccc3)cc2)cc1 | nan | |||
| 58757247 | 299485 | 0 | None | None | None | Rat | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 243 | 5 | 2 | 3 | 2.8 | COc1cccc(NCc2ccc(CO)cc2)c1 | nan | |||
| CHEMBL3974314 | 299485 | 0 | None | None | None | Rat | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 243 | 5 | 2 | 3 | 2.8 | COc1cccc(NCc2ccc(CO)cc2)c1 | nan | |||
| 155523400 | 335295 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 342 | 6 | 1 | 2 | 4.7 | Cc1cccc(CNCC2CCN(Cc3ccccc3Cl)CC2)c1 | 10.1016/j.ejmech.2018.10.060 | |||
| CHEMBL4452433 | 335295 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 342 | 6 | 1 | 2 | 4.7 | Cc1cccc(CNCC2CCN(Cc3ccccc3Cl)CC2)c1 | 10.1016/j.ejmech.2018.10.060 | |||
| 56649212 | 142835 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 744 | 12 | 8 | 8 | 0.1 | CC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C | 10.1021/jm2009716 | |||
| CHEMBL1949675 | 142835 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 744 | 12 | 8 | 8 | 0.1 | CC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C | 10.1021/jm2009716 | |||
| 155545540 | 347555 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 342 | 6 | 1 | 2 | 4.7 | Cc1ccc(CNCC2CCN(Cc3ccccc3Cl)CC2)cc1 | 10.1016/j.ejmech.2018.10.060 | |||
| CHEMBL4529593 | 347555 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 342 | 6 | 1 | 2 | 4.7 | Cc1ccc(CNCC2CCN(Cc3ccccc3Cl)CC2)cc1 | 10.1016/j.ejmech.2018.10.060 | |||
| 155558835 | 348814 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 318 | 6 | 2 | 3 | 3.1 | Clc1ccccc1CN1CCC(CNCc2c[nH]cn2)CC1 | 10.1016/j.ejmech.2018.10.060 | |||
| CHEMBL4561387 | 348814 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 318 | 6 | 2 | 3 | 3.1 | Clc1ccccc1CN1CCC(CNCc2c[nH]cn2)CC1 | 10.1016/j.ejmech.2018.10.060 | |||
| 5278946 | 333284 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 793 | 15 | 11 | 10 | 0.2 | N=C(N)NCCCN[C@H]1CSSC[C@H](C(=O)NCCc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC1=O | 10.1021/jm050009h | |||
| CHEMBL436083 | 333284 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 793 | 15 | 11 | 10 | 0.2 | N=C(N)NCCCN[C@H]1CSSC[C@H](C(=O)NCCc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC1=O | 10.1021/jm050009h | |||
| CHEMBL408062 | 487998 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 673 | 12 | 10 | 9 | -1.4 | N=C(N)NCCCN[C@H]1CSSC[C@H](C(N)=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC1=O | 10.1021/jm050009h | |||
| 155527692 | 335803 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 342 | 6 | 1 | 2 | 4.7 | Cc1cccc(CNCC2CCN(Cc3ccc(Cl)cc3)CC2)c1 | 10.1016/j.ejmech.2018.10.060 | |||
| CHEMBL4460308 | 335803 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 342 | 6 | 1 | 2 | 4.7 | Cc1cccc(CNCC2CCN(Cc3ccc(Cl)cc3)CC2)c1 | 10.1016/j.ejmech.2018.10.060 | |||
| 16459886 | 336026 | 24 | None | None | None | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 294 | 6 | 1 | 2 | 3.7 | c1ccc(CNCC2CCN(Cc3ccccc3)CC2)cc1 | 10.1016/j.ejmech.2018.10.060 | |||
| CHEMBL4463684 | 336026 | 24 | None | None | None | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 294 | 6 | 1 | 2 | 3.7 | c1ccc(CNCC2CCN(Cc3ccccc3)CC2)cc1 | 10.1016/j.ejmech.2018.10.060 | |||
| 2236109 | 336387 | 29 | None | None | None | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 238 | 3 | 1 | 2 | 2.5 | NCC1CCN(Cc2ccccc2Cl)CC1 | 10.1016/j.ejmech.2018.10.060 | |||
| CHEMBL4469048 | 336387 | 29 | None | None | None | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 238 | 3 | 1 | 2 | 2.5 | NCC1CCN(Cc2ccccc2Cl)CC1 | 10.1016/j.ejmech.2018.10.060 | |||
| 44563689 | 372931 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 388 | 5 | 1 | 5 | 4.0 | c1ccc(CN/C(=N/C2CCCCC2)SCC2CSC3=NCCN32)cc1 | 10.1021/jm801065q | |||
| CHEMBL516480 | 372931 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 388 | 5 | 1 | 5 | 4.0 | c1ccc(CN/C(=N/C2CCCCC2)SCC2CSC3=NCCN32)cc1 | 10.1021/jm801065q | |||
| 137660298 | 315275 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 887 | 14 | 10 | 8 | 1.9 | CN1C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=O)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H]1Cc1c[nH]c2ccccc12 | 10.1021/acs.jmedchem.8b00336 | |||
| CHEMBL4101089 | 315275 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 887 | 14 | 10 | 8 | 1.9 | CN1C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=O)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H]1Cc1c[nH]c2ccccc12 | 10.1021/acs.jmedchem.8b00336 | |||
| 44400315 | 140602 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 663 | 11 | 10 | 7 | -1.5 | N=C(N)NCCC(=O)N[C@H]1C/C=C\CC[C@H](C(N)=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC1=O | 10.1021/jm050009h | |||
| CHEMBL191651 | 140602 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 663 | 11 | 10 | 7 | -1.5 | N=C(N)NCCC(=O)N[C@H]1C/C=C\CC[C@H](C(N)=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC1=O | 10.1021/jm050009h | |||
| 44400178 | 140923 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 677 | 11 | 10 | 7 | -1.1 | N=C(N)NCCC(=O)N[C@H]1CC/C=C\CC[C@H](C(N)=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC1=O | 10.1021/jm050009h | |||
| CHEMBL191949 | 140923 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 677 | 11 | 10 | 7 | -1.1 | N=C(N)NCCC(=O)N[C@H]1CC/C=C\CC[C@H](C(N)=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC1=O | 10.1021/jm050009h | |||
| 44400179 | 140930 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 769 | 14 | 11 | 8 | -0.3 | N=C(N)NCCC(=O)N[C@H]1C/C=C\C[C@H](C(=O)NCCc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC1=O | 10.1021/jm050009h | |||
| CHEMBL191998 | 140930 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 769 | 14 | 11 | 8 | -0.3 | N=C(N)NCCC(=O)N[C@H]1C/C=C\C[C@H](C(=O)NCCc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC1=O | 10.1021/jm050009h | |||
| 44400314 | 252525 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 649 | 11 | 11 | 7 | -1.7 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](NC(=O)CCNC(=N)N)C/C=C\C[C@H](C(N)=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm050009h | |||
| CHEMBL364014 | 252525 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 649 | 11 | 11 | 7 | -1.7 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](NC(=O)CCNC(=N)N)C/C=C\C[C@H](C(N)=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm050009h | |||
| 172034824 | 333796 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 1992 | 47 | 30 | 26 | -6.5 | C[C@H]1/C=C\[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)C(CCCNC(N)=O)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1016/s0960-894x(02)00041-0 | |||
| CHEMBL440638 | 333796 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 1992 | 47 | 30 | 26 | -6.5 | C[C@H]1/C=C\[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)C(CCCNC(N)=O)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1016/s0960-894x(02)00041-0 | |||
| 66552426 | 466125 | 0 | None | None | None | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 729 | 14 | 9 | 8 | 0.5 | N=C(N)NCCC[C@@H]1NC(=O)CN(CCCCCCN)C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1016/j.ejmech.2024.116982 | |||
| CHEMBL6120229 | 466125 | 0 | None | None | None | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 729 | 14 | 9 | 8 | 0.5 | N=C(N)NCCC[C@@H]1NC(=O)CN(CCCCCCN)C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1016/j.ejmech.2024.116982 | |||
| 138501641 | 353794 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 436 | 5 | 0 | 7 | 3.0 | Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2CCC(N3CCOCC3)CC2)n1 | 10.1016/j.ejmech.2019.111914 | |||
| CHEMBL4746043 | 353794 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 436 | 5 | 0 | 7 | 3.0 | Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2CCC(N3CCOCC3)CC2)n1 | 10.1016/j.ejmech.2019.111914 | |||
| 171346021 | 386249 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 2845 | 99 | 46 | 38 | -12.7 | CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N(CCCCCC(=O)O)[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1016/j.ejmech.2022.114797 | |||
| 171353824 | 386249 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 2845 | 99 | 46 | 38 | -12.7 | CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N(CCCCCC(=O)O)[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1016/j.ejmech.2022.114797 | |||
| CHEMBL5273020 | 386249 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 2845 | 99 | 46 | 38 | -12.7 | CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N(CCCCCC(=O)O)[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1016/j.ejmech.2022.114797 | |||
| CHEMBL5281510 | 386249 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 2845 | 99 | 46 | 38 | -12.7 | CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N(CCCCCC(=O)O)[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1016/j.ejmech.2022.114797 | |||
| 172464230 | 389099 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 1419 | 45 | 23 | 20 | -5.4 | CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| CHEMBL5432146 | 389099 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 1419 | 45 | 23 | 20 | -5.4 | CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| CHEMBL3924080 | 487761 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 3186 | 85 | 50 | 43 | -9.1 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| 145965128 | 329380 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 340 | 7 | 0 | 6 | 2.2 | CN(C)CCN(C)N(Cc1ccncn1)C1CCCc2cccnc21 | 10.1016/j.ejmech.2018.02.042 | |||
| CHEMBL4213783 | 329380 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 340 | 7 | 0 | 6 | 2.2 | CN(C)CCN(C)N(Cc1ccncn1)C1CCCc2cccnc21 | 10.1016/j.ejmech.2018.02.042 | |||
| 172456042 | 388489 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 1509 | 48 | 24 | 22 | -6.1 | CSCC[C@H](NC(=O)[C@@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| 172462376 | 388489 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 1509 | 48 | 24 | 22 | -6.1 | CSCC[C@H](NC(=O)[C@@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| CHEMBL5417685 | 388489 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 1509 | 48 | 24 | 22 | -6.1 | CSCC[C@H](NC(=O)[C@@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| CHEMBL5431828 | 388489 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 1509 | 48 | 24 | 22 | -6.1 | CSCC[C@H](NC(=O)[C@@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| 172444607 | 387759 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 1479 | 48 | 23 | 21 | -4.5 | CC[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CO)C(=O)O | 10.1021/acs.jmedchem.3c01128 | |||
| 172463834 | 387759 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 1479 | 48 | 23 | 21 | -4.5 | CC[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CO)C(=O)O | 10.1021/acs.jmedchem.3c01128 | |||
| CHEMBL5403146 | 387759 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 1479 | 48 | 23 | 21 | -4.5 | CC[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CO)C(=O)O | 10.1021/acs.jmedchem.3c01128 | |||
| CHEMBL5433597 | 387759 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 1479 | 48 | 23 | 21 | -4.5 | CC[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CO)C(=O)O | 10.1021/acs.jmedchem.3c01128 | |||
| 138501453 | 366576 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 395 | 6 | 1 | 7 | 2.6 | CCNc1nc(CN(C)C2CCCc3cccnc32)cc(N2CCN(C)CC2)n1 | 10.1016/j.ejmech.2019.111914 | |||
| CHEMBL4796167 | 366576 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 395 | 6 | 1 | 7 | 2.6 | CCNc1nc(CN(C)C2CCCc3cccnc32)cc(N2CCN(C)CC2)n1 | 10.1016/j.ejmech.2019.111914 | |||
| 172466054 | 389113 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 1511 | 49 | 23 | 22 | -4.6 | CSCC[C@H](NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| 172470447 | 389113 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 1511 | 49 | 23 | 22 | -4.6 | CSCC[C@H](NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| CHEMBL5432389 | 389113 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 1511 | 49 | 23 | 22 | -4.6 | CSCC[C@H](NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| CHEMBL5439158 | 389113 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 1511 | 49 | 23 | 22 | -4.6 | CSCC[C@H](NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| 145974150 | 329494 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 378 | 6 | 0 | 6 | 2.7 | c1cnc2c(c1)CCCC2N(Cc1ccncn1)N1CCN(CC2CC2)CC1 | 10.1016/j.ejmech.2018.02.042 | |||
| CHEMBL4215245 | 329494 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 378 | 6 | 0 | 6 | 2.7 | c1cnc2c(c1)CCCC2N(Cc1ccncn1)N1CCN(CC2CC2)CC1 | 10.1016/j.ejmech.2018.02.042 | |||
| 4410 | 6381 | 68 | None | None | None | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/jm801065q | |||
| 65015 | 6381 | 68 | None | None | None | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/jm801065q | |||
| 844 | 6381 | 68 | None | None | None | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/jm801065q | |||
| CHEMBL18442 | 6381 | 68 | None | None | None | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/jm801065q | |||
| DB06809 | 6381 | 68 | None | None | None | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/jm801065q | |||
| 134134119 | 289950 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 3125 | 83 | 50 | 44 | -10.8 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| CHEMBL3896065 | 289950 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 3125 | 83 | 50 | 44 | -10.8 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| CHEMBL506505 | 489051 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 715 | 11 | 12 | 8 | -0.9 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](c2ccc3ccccc3c2)NC1=O | 10.1021/jm801065q | |||
| 145958234 | 317679 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 407 | 4 | 2 | 5 | 3.9 | O=C(NNc1cnccn1)c1ccccc1-n1ccc2cc(Br)ccc21 | 10.1016/j.ejmech.2017.08.027 | |||
| CHEMBL4162534 | 317679 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 407 | 4 | 2 | 5 | 3.9 | O=C(NNc1cnccn1)c1ccccc1-n1ccc2cc(Br)ccc21 | 10.1016/j.ejmech.2017.08.027 | |||
| 66558750 | 157126 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 728 | 12 | 13 | 8 | -0.6 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=N | 10.1021/ml200047e | |||
| CHEMBL2042120 | 157126 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 728 | 12 | 13 | 8 | -0.6 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=N | 10.1021/ml200047e | |||
| 25147749 | 4280 | 21 | None | None | None | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 5.4 | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 | 10.1021/jm801065q | |||
| 2899 | 4280 | 21 | None | None | None | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 5.4 | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 | 10.1021/jm801065q | |||
| CHEMBL460491 | 4280 | 21 | None | None | None | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 5.4 | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 | 10.1021/jm801065q | |||
| 72535488 | 296319 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 539 | 9 | 1 | 7 | 4.0 | CN1CCN(C(=O)Cn2c3ccccc3c3ccnc(CN(CCCCN)C4CCCc5cccnc54)c32)CC1 | nan | |||
| CHEMBL3947305 | 296319 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 539 | 9 | 1 | 7 | 4.0 | CN1CCN(C(=O)Cn2c3ccccc3c3ccnc(CN(CCCCN)C4CCCc5cccnc54)c32)CC1 | nan | |||
| 11678324 | 329693 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 543 | 9 | 2 | 6 | 4.8 | Cc1ccsc1CN1CCC2(CC1)CCN(Cc1ccc(C(=O)N(Cc3ncc[nH]3)Cc3ncc[nH]3)cc1)C2 | 10.1016/j.ejmech.2018.02.043 | |||
| CHEMBL4218006 | 329693 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 543 | 9 | 2 | 6 | 4.8 | Cc1ccsc1CN1CCC2(CC1)CCN(Cc1ccc(C(=O)N(Cc3ncc[nH]3)Cc3ncc[nH]3)cc1)C2 | 10.1016/j.ejmech.2018.02.043 | |||
| CHEMBL373636 | 487503 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 743 | 12 | 12 | 8 | -0.7 | C[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm0607350 | |||
| CHEMBL375990 | 487554 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 743 | 12 | 12 | 8 | -0.7 | C[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm0607350 | |||
| 155560529 | 349101 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 2536 | 93 | 31 | 37 | -7.8 | CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)NCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCOCCOCCNC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(N)=O | 10.1016/j.bmc.2016.08.062 | |||
| CHEMBL4568383 | 349101 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 2536 | 93 | 31 | 37 | -7.8 | CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)NCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCOCCOCCNC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(N)=O | 10.1016/j.bmc.2016.08.062 | |||
| 71716525 | 179070 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 649 | 12 | 8 | 3 | 8.2 | N=C(NCCCCN(CCCNC(=N)Nc1cccc2ccccc12)C(=N)Nc1cccc2ccccc12)Nc1cccc2ccccc12 | 10.1016/j.bmcl.2013.01.107 | |||
| CHEMBL2347628 | 179070 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 649 | 12 | 8 | 3 | 8.2 | N=C(NCCCCN(CCCNC(=N)Nc1cccc2ccccc12)C(=N)Nc1cccc2ccccc12)Nc1cccc2ccccc12 | 10.1016/j.bmcl.2013.01.107 | |||
| 71718364 | 179073 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 538 | 15 | 8 | 4 | 5.3 | N=C(NCCCNCCCCNCCCNC(=N)Nc1ccc2ccccc2c1)Nc1ccc2ccccc2c1 | 10.1016/j.bmcl.2013.01.107 | |||
| CHEMBL2347631 | 179073 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 538 | 15 | 8 | 4 | 5.3 | N=C(NCCCNCCCCNCCCNC(=N)Nc1ccc2ccccc2c1)Nc1ccc2ccccc2c1 | 10.1016/j.bmcl.2013.01.107 | |||
| 155544593 | 347435 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 1165 | 35 | 18 | 16 | -5.1 | CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(N)=O | 10.1016/j.ejmech.2019.03.056 | |||
| CHEMBL4526799 | 347435 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 1165 | 35 | 18 | 16 | -5.1 | CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(N)=O | 10.1016/j.ejmech.2019.03.056 | |||
| 134139386 | 293288 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 3137 | 86 | 45 | 43 | -6.4 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(C(=O)c2ccccc2)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| CHEMBL3923006 | 293288 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 3137 | 86 | 45 | 43 | -6.4 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(C(=O)c2ccccc2)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| 57345320 | 8342 | 12 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1016/j.bmcl.2015.04.036 | |||
| 9882 | 8342 | 12 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1016/j.bmcl.2015.04.036 | |||
| CHEMBL3091687 | 8342 | 12 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1016/j.bmcl.2015.04.036 | |||
| 162675312 | 366747 | 0 | None | None | None | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 404 | 5 | 2 | 5 | 5.2 | CCOC(=O)c1c(NC(=S)Nc2ccc(OC)cc2)sc2c1C(C)CCC2 | 10.1016/j.ejmech.2020.112387 | |||
| CHEMBL4798282 | 366747 | 0 | None | None | None | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 404 | 5 | 2 | 5 | 5.2 | CCOC(=O)c1c(NC(=S)Nc2ccc(OC)cc2)sc2c1C(C)CCC2 | 10.1016/j.ejmech.2020.112387 | |||
| 132560386 | 392840 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 299 | 5 | 4 | 3 | 1.0 | N=C(N)NCC/C=C1\NC(=O)N(/C=C/c2ccccc2)C1=O | 10.1016/j.ejmech.2024.116594 | |||
| CHEMBL5613928 | 392840 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 299 | 5 | 4 | 3 | 1.0 | N=C(N)NCC/C=C1\NC(=O)N(/C=C/c2ccccc2)C1=O | 10.1016/j.ejmech.2024.116594 | |||
| 162642884 | 355561 | 0 | None | None | None | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 390 | 4 | 3 | 5 | 4.9 | CCOC(=O)c1c(NC(=S)Nc2ccc(O)cc2)sc2c1C(C)CCC2 | 10.1016/j.ejmech.2020.112387 | |||
| CHEMBL4777007 | 355561 | 0 | None | None | None | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 390 | 4 | 3 | 5 | 4.9 | CCOC(=O)c1c(NC(=S)Nc2ccc(O)cc2)sc2c1C(C)CCC2 | 10.1016/j.ejmech.2020.112387 | |||
| 162672731 | 366385 | 0 | None | None | None | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 392 | 4 | 2 | 4 | 5.3 | CCOC(=O)c1c(NC(=S)Nc2ccc(F)cc2)sc2c1C(C)CCC2 | 10.1016/j.ejmech.2020.112387 | |||
| CHEMBL4793810 | 366385 | 0 | None | None | None | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 392 | 4 | 2 | 4 | 5.3 | CCOC(=O)c1c(NC(=S)Nc2ccc(F)cc2)sc2c1C(C)CCC2 | 10.1016/j.ejmech.2020.112387 | |||
| 163408878 | 386672 | 6 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 414 | 14 | 4 | 4 | 4.5 | c1cc(CNCCCNC2CCCCC2)ccc1CNCCCNC1CCCCC1 | 10.1016/j.ejmech.2020.112410 | |||
| CHEMBL5283078 | 386672 | 6 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 414 | 14 | 4 | 4 | 4.5 | c1cc(CNCCCNC2CCCCC2)ccc1CNCCCNC1CCCCC1 | 10.1016/j.ejmech.2020.112410 | |||
| 171354780 | 386379 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 457 | 15 | 4 | 5 | 4.6 | CN(C)c1cc(CNCCCNC2CCCCC2)cc(CNCCCNC2CCCCC2)c1 | 10.1016/j.ejmech.2020.112410 | |||
| CHEMBL5275975 | 386379 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 457 | 15 | 4 | 5 | 4.6 | CN(C)c1cc(CNCCCNC2CCCCC2)cc(CNCCCNC2CCCCC2)c1 | 10.1016/j.ejmech.2020.112410 | |||
| 162667135 | 356316 | 0 | None | None | None | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 402 | 3 | 2 | 4 | 6.0 | CC1CCCc2sc(NC(=S)Nc3ccccc3)c(C(=O)OC(C)(C)C)c21 | 10.1016/j.ejmech.2020.112387 | |||
| CHEMBL4786878 | 356316 | 0 | None | None | None | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 402 | 3 | 2 | 4 | 6.0 | CC1CCCc2sc(NC(=S)Nc3ccccc3)c(C(=O)OC(C)(C)C)c21 | 10.1016/j.ejmech.2020.112387 | |||
| 138501803 | 353504 | 0 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 384 | 4 | 0 | 6 | 2.6 | Cc1nc(CN(C)C2CCCc3cccnc32)c(F)c(N2CCN(C)CC2)n1 | 10.1016/j.ejmech.2019.111914 | |||
| CHEMBL4742656 | 353504 | 0 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 384 | 4 | 0 | 6 | 2.6 | Cc1nc(CN(C)C2CCCc3cccnc32)c(F)c(N2CCN(C)CC2)n1 | 10.1016/j.ejmech.2019.111914 | |||
| 138491872 | 355716 | 0 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 366 | 4 | 0 | 6 | 2.4 | Cc1nc(CN(C)C2CCCc3cccnc32)cc(N2CCN(C)CC2)n1 | 10.1016/j.ejmech.2019.111914 | |||
| CHEMBL4778921 | 355716 | 0 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 366 | 4 | 0 | 6 | 2.4 | Cc1nc(CN(C)C2CCCc3cccnc32)cc(N2CCN(C)CC2)n1 | 10.1016/j.ejmech.2019.111914 | |||
| 146970182 | 373183 | 2 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 522 | 17 | 7 | 6 | 2.5 | N=C(N)NCCC[C@H](NCc1ccccn1)C(=O)NCc1ccc(CNCCCNC2CCCCC2)cc1 | 10.1016/j.ejmech.2022.114150 | |||
| CHEMBL5172755 | 373183 | 2 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 522 | 17 | 7 | 6 | 2.5 | N=C(N)NCCC[C@H](NCc1ccccn1)C(=O)NCc1ccc(CNCCCNC2CCCCC2)cc1 | 10.1016/j.ejmech.2022.114150 | |||
| 56647928 | 142849 | 0 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1485 | 27 | 18 | 16 | -0.4 | CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C | 10.1021/jm2009716 | |||
| 91930551 | 142849 | 0 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1485 | 27 | 18 | 16 | -0.4 | CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C | 10.1021/jm2009716 | |||
| CHEMBL1949736 | 142849 | 0 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1485 | 27 | 18 | 16 | -0.4 | CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C | 10.1021/jm2009716 | |||
| 72535506 | 279887 | 0 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 540 | 9 | 2 | 7 | 4.2 | NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCC(O)CC3)c12)C1CCCc2cccnc21 | nan | |||
| CHEMBL3892446 | 279887 | 0 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 540 | 9 | 2 | 7 | 4.2 | NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCC(O)CC3)c12)C1CCCc2cccnc21 | nan | |||
| 72535470 | 292950 | 0 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 539 | 10 | 3 | 7 | 4.1 | NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)NC3CCNCC3)c12)C1CCCc2cccnc21 | nan | |||
| CHEMBL3920438 | 292950 | 0 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 539 | 10 | 3 | 7 | 4.1 | NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)NC3CCNCC3)c12)C1CCCc2cccnc21 | nan | |||
| 72535480 | 294046 | 0 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 498 | 9 | 2 | 7 | 3.8 | OCCn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)C3CCCc4cccnc43)c21 | nan | |||
| CHEMBL3929341 | 294046 | 0 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 498 | 9 | 2 | 7 | 3.8 | OCCn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)C3CCCc4cccnc43)c21 | nan | |||
| 76324529 | 213550 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 455 | 10 | 2 | 5 | 4.4 | c1ccc(CNCCCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)nc1 | 10.1021/ml400183q | |||
| CHEMBL3091683 | 213550 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 455 | 10 | 2 | 5 | 4.4 | c1ccc(CNCCCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)nc1 | 10.1021/ml400183q | |||
| 57345320 | 8342 | 12 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/ml400183q | |||
| 9882 | 8342 | 12 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/ml400183q | |||
| CHEMBL3091687 | 8342 | 12 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/ml400183q | |||
| 46206137 | 22685 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 488 | 9 | 2 | 5 | 5.7 | c1ccc(CNCc2ccc(CN(Cc3nc4ccccc4[nH]3)[C@H]3CCCc4cccnc43)cc2)nc1 | 10.1021/jm100073m | |||
| CHEMBL1093137 | 22685 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 488 | 9 | 2 | 5 | 5.7 | c1ccc(CNCc2ccc(CN(Cc3nc4ccccc4[nH]3)[C@H]3CCCc4cccnc43)cc2)nc1 | 10.1021/jm100073m | |||
| 24894090 | 346818 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 572 | 13 | 9 | 5 | 2.8 | CC(C)C[C@@H](NC(=N)N)C(=O)Nc1ccc2c(c1)cc(C(=O)NCCc1c[nH]c3ccccc13)n2CCCNC(=N)N | 10.1016/j.bmcl.2008.05.092 | |||
| 44561525 | 346818 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 572 | 13 | 9 | 5 | 2.8 | CC(C)C[C@@H](NC(=N)N)C(=O)Nc1ccc2c(c1)cc(C(=O)NCCc1c[nH]c3ccccc13)n2CCCNC(=N)N | 10.1016/j.bmcl.2008.05.092 | |||
| CHEMBL450041 | 346818 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 572 | 13 | 9 | 5 | 2.8 | CC(C)C[C@@H](NC(=N)N)C(=O)Nc1ccc2c(c1)cc(C(=O)NCCc1c[nH]c3ccccc13)n2CCCNC(=N)N | 10.1016/j.bmcl.2008.05.092 | |||
| CHEMBL450815 | 346818 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 572 | 13 | 9 | 5 | 2.8 | CC(C)C[C@@H](NC(=N)N)C(=O)Nc1ccc2c(c1)cc(C(=O)NCCc1c[nH]c3ccccc13)n2CCCNC(=N)N | 10.1016/j.bmcl.2008.05.092 | |||
| 56750906 | 241557 | 3 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 3.8 | c1ccc(Cc2cn[nH]c2C2CCN(Cc3ccncc3)CC2)cc1 | 10.1021/acsmedchemlett.5b00036 | |||
| CHEMBL3608763 | 241557 | 3 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 3.8 | c1ccc(Cc2cn[nH]c2C2CCN(Cc3ccncc3)CC2)cc1 | 10.1021/acsmedchemlett.5b00036 | |||
| CHEMBL2180076 | 488626 | 28 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 729 | 12 | 12 | 8 | -1.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/acs.jmedchem.5b00216 | |||
| CHEMBL436283 | 488626 | 28 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 729 | 12 | 12 | 8 | -1.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/acs.jmedchem.5b00216 | |||
| 162664334 | 355948 | 0 | None | None | None | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 392 | 4 | 2 | 4 | 5.3 | CCOC(=O)c1c(NC(=S)Nc2ccccc2F)sc2c1C(C)CCC2 | 10.1016/j.ejmech.2020.112387 | |||
| CHEMBL4782034 | 355948 | 0 | None | None | None | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 392 | 4 | 2 | 4 | 5.3 | CCOC(=O)c1c(NC(=S)Nc2ccccc2F)sc2c1C(C)CCC2 | 10.1016/j.ejmech.2020.112387 | |||
| 171355204 | 386427 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 415 | 14 | 4 | 5 | 3.9 | c1cc(CNCCCNC2CCCCC2)nc(CNCCCNC2CCCCC2)c1 | 10.1016/j.ejmech.2020.112410 | |||
| CHEMBL5277386 | 386427 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 415 | 14 | 4 | 5 | 3.9 | c1cc(CNCCCNC2CCCCC2)nc(CNCCCNC2CCCCC2)c1 | 10.1016/j.ejmech.2020.112410 | |||
| CHEMBL3916038 | 487756 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 940 | 18 | 14 | 12 | -2.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/acs.jmedchem.6b00695 | |||
| 137651290 | 313364 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 985 | 18 | 15 | 13 | -1.6 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/acs.jmedchem.7b01062 | |||
| CHEMBL4079246 | 313364 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 985 | 18 | 15 | 13 | -1.6 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/acs.jmedchem.7b01062 | |||
| 155529939 | 336011 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 358 | 7 | 1 | 3 | 4.4 | COc1ccc(CNCC2CCN(Cc3ccccc3Cl)CC2)cc1 | 10.1016/j.ejmech.2018.10.060 | |||
| CHEMBL4463569 | 336011 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 358 | 7 | 1 | 3 | 4.4 | COc1ccc(CNCC2CCN(Cc3ccccc3Cl)CC2)cc1 | 10.1016/j.ejmech.2018.10.060 | |||
| CHEMBL2180076 | 488626 | 28 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 729 | 12 | 12 | 8 | -1.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/ml200047e | |||
| CHEMBL436283 | 488626 | 28 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 729 | 12 | 12 | 8 | -1.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/ml200047e | |||
| CHEMBL3983197 | 487825 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 3110 | 82 | 50 | 43 | -10.7 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| 162669363 | 366148 | 0 | None | None | None | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 458 | 5 | 2 | 5 | 6.1 | CCOC(=O)c1c(NC(=S)Nc2ccc(OC(F)(F)F)cc2)sc2c1C(C)CCC2 | 10.1016/j.ejmech.2020.112387 | |||
| CHEMBL4790233 | 366148 | 0 | None | None | None | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 458 | 5 | 2 | 5 | 6.1 | CCOC(=O)c1c(NC(=S)Nc2ccc(OC(F)(F)F)cc2)sc2c1C(C)CCC2 | 10.1016/j.ejmech.2020.112387 | |||
| CHEMBL219096 | 485252 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 743 | 12 | 11 | 8 | -0.7 | CN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CNC(=O)[C@H]1Cc1ccc(O)cc1 | 10.1021/jm0607350 | |||
| 138501447 | 354885 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 432 | 5 | 0 | 8 | 2.5 | CN1CCN(c2cc(CN(C)C3CCCc4cccnc43)nc(-c3cnn(C)c3)n2)CC1 | 10.1016/j.ejmech.2019.111914 | |||
| CHEMBL4759222 | 354885 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 432 | 5 | 0 | 8 | 2.5 | CN1CCN(c2cc(CN(C)C3CCCc4cccnc43)nc(-c3cnn(C)c3)n2)CC1 | 10.1016/j.ejmech.2019.111914 | |||
| 11256587 | 5001 | 42 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 349 | 7 | 2 | 4 | 3.6 | NCCCCN([C@H]1CCCc2c1nccc2)Cc1nc2c([nH]1)cccc2 | 10.1021/jm100073m | |||
| 8580 | 5001 | 42 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 349 | 7 | 2 | 4 | 3.6 | NCCCCN([C@H]1CCCc2c1nccc2)Cc1nc2c([nH]1)cccc2 | 10.1021/jm100073m | |||
| CHEMBL518924 | 5001 | 42 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 349 | 7 | 2 | 4 | 3.6 | NCCCCN([C@H]1CCCc2c1nccc2)Cc1nc2c([nH]1)cccc2 | 10.1021/jm100073m | |||
| DB05501 | 5001 | 42 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 349 | 7 | 2 | 4 | 3.6 | NCCCCN([C@H]1CCCc2c1nccc2)Cc1nc2c([nH]1)cccc2 | 10.1021/jm100073m | |||
| 465968 | 180057 | 9 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 551 | 13 | 6 | 5 | 3.8 | C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccc(CNCc2ccccn2)cc1)c1cccc2ccccc12 | 10.1016/j.ejmech.2018.02.043 | |||
| CHEMBL2367715 | 180057 | 9 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 551 | 13 | 6 | 5 | 3.8 | C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccc(CNCc2ccccn2)cc1)c1cccc2ccccc12 | 10.1016/j.ejmech.2018.02.043 | |||
| 138501802 | 356044 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 408 | 5 | 0 | 7 | 2.2 | Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2CCN(C3COC3)CC2)n1 | 10.1016/j.ejmech.2019.111914 | |||
| CHEMBL4783171 | 356044 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 408 | 5 | 0 | 7 | 2.2 | Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2CCN(C3COC3)CC2)n1 | 10.1016/j.ejmech.2019.111914 | |||
| CHEMBL373440 | 487493 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 637 | 10 | 11 | 7 | -2.0 | C[C@H]1NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CNC1=O | 10.1021/jm0607350 | |||
| 145972313 | 329506 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 352 | 4 | 0 | 6 | 2.1 | CN1CCN(c2cc(CN(C)[C@@H]3CCCc4cccnc43)ncn2)CC1 | 10.1016/j.ejmech.2018.02.042 | |||
| CHEMBL4215380 | 329506 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 352 | 4 | 0 | 6 | 2.1 | CN1CCN(c2cc(CN(C)[C@@H]3CCCc4cccnc43)ncn2)CC1 | 10.1016/j.ejmech.2018.02.042 | |||
| CHEMBL3980379 | 487816 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 941 | 18 | 14 | 12 | -2.1 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/acs.jmedchem.6b00695 | |||
| 57345319 | 212864 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN(C[C@@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 | 10.1021/ml400183q | |||
| CHEMBL3091677 | 212864 | 0 | None | None | None | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN(C[C@@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 | 10.1021/ml400183q | |||
| 134143183 | 291963 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 3080 | 81 | 50 | 42 | -10.0 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC(CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| CHEMBL3912645 | 291963 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 3080 | 81 | 50 | 42 | -10.0 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC(CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| CHEMBL3963508 | 487797 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 3158 | 83 | 52 | 43 | -10.3 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)C1(NC(=O)[C@@H](N)CCCCN)Cc2ccccc2C1)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| 172465026 | 389001 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 957 | 32 | 17 | 12 | -2.8 | CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.3c01128 | |||
| CHEMBL5429594 | 389001 | 0 | None | None | None | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 957 | 32 | 17 | 12 | -2.8 | CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.3c01128 | |||
| 3802539 | 386913 | 6 | None | None | None | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 320 | 5 | 2 | 6 | 3.0 | Nc1nc2ccccc2n1CCCCn1c(N)nc2ccccc21 | 10.1021/acs.jmedchem.6b01309 | |||
| CHEMBL5288598 | 386913 | 6 | None | None | None | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 320 | 5 | 2 | 6 | 3.0 | Nc1nc2ccccc2n1CCCCn1c(N)nc2ccccc21 | 10.1021/acs.jmedchem.6b01309 | |||
| 138501639 | 354633 | 0 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 380 | 4 | 0 | 6 | 2.8 | Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2CCN(C)C[C@@H]2C)n1 | 10.1016/j.ejmech.2019.111914 | |||
| CHEMBL4756203 | 354633 | 0 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 380 | 4 | 0 | 6 | 2.8 | Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2CCN(C)C[C@@H]2C)n1 | 10.1016/j.ejmech.2019.111914 | |||
| 138501640 | 355781 | 0 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 380 | 4 | 0 | 6 | 2.8 | Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2CCN(C)[C@@H](C)C2)n1 | 10.1016/j.ejmech.2019.111914 | |||
| CHEMBL4779872 | 355781 | 0 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 380 | 4 | 0 | 6 | 2.8 | Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2CCN(C)[C@@H](C)C2)n1 | 10.1016/j.ejmech.2019.111914 | |||
| 155551439 | 348056 | 0 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 2876 | 99 | 49 | 42 | -16.5 | CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)NCCCCCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)O)[C@@H](C)O | 10.1016/j.ejmech.2019.03.056 | |||
| CHEMBL4542285 | 348056 | 0 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 2876 | 99 | 49 | 42 | -16.5 | CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)NCCCCCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)O)[C@@H](C)O | 10.1016/j.ejmech.2019.03.056 | |||
| 56648499 | 142859 | 0 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1613 | 32 | 20 | 18 | -1.8 | CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CNC(=O)CCCC(=O)NCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C | 10.1021/jm2009716 | |||
| 91930559 | 142859 | 0 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1613 | 32 | 20 | 18 | -1.8 | CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CNC(=O)CCCC(=O)NCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C | 10.1021/jm2009716 | |||
| CHEMBL1949886 | 142859 | 0 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1613 | 32 | 20 | 18 | -1.8 | CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CNC(=O)CCCC(=O)NCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C | 10.1021/jm2009716 | |||
| 11950261 | 40541 | 7 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 479 | 17 | 1 | 6 | 4.7 | CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 | 10.1128/aac.01727-08 | |||
| CHEMBL1242211 | 40541 | 7 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 479 | 17 | 1 | 6 | 4.7 | CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 | 10.1128/aac.01727-08 | |||
| 178304029 | 467131 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 960 | 18 | 16 | 12 | -4.1 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CNC(=O)C[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116911 | |||
| 178305857 | 467131 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 960 | 18 | 16 | 12 | -4.1 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CNC(=O)C[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116911 | |||
| CHEMBL6169375 | 467131 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 960 | 18 | 16 | 12 | -4.1 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CNC(=O)C[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116911 | |||
| CHEMBL6175714 | 467131 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 960 | 18 | 16 | 12 | -4.1 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CNC(=O)C[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116911 | |||
| 4410 | 6381 | 68 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1128/aac.01727-08 | |||
| 65015 | 6381 | 68 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1128/aac.01727-08 | |||
| 844 | 6381 | 68 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1128/aac.01727-08 | |||
| CHEMBL18442 | 6381 | 68 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1128/aac.01727-08 | |||
| DB06809 | 6381 | 68 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1128/aac.01727-08 | |||
| 172445759 | 387377 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 1509 | 47 | 23 | 20 | -3.8 | CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| CHEMBL5395062 | 387377 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 1509 | 47 | 23 | 20 | -3.8 | CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| 155566596 | 349781 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 2360 | 81 | 31 | 33 | -7.9 | CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)NCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCNC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(N)=O | 10.1016/j.bmc.2016.08.062 | |||
| CHEMBL4584349 | 349781 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 2360 | 81 | 31 | 33 | -7.9 | CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)NCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCNC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(N)=O | 10.1016/j.bmc.2016.08.062 | |||
| CHEMBL506505 | 489051 | 0 | None | None | None | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 715 | 11 | 12 | 8 | -0.9 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](c2ccc3ccccc3c2)NC1=O | 10.1021/jm801065q | |||
| 162671201 | 366257 | 0 | None | None | None | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 442 | 4 | 2 | 4 | 6.2 | CCOC(=O)c1c(NC(=S)Nc2ccc(C(F)(F)F)cc2)sc2c1C(C)CCC2 | 10.1016/j.ejmech.2020.112387 | |||
| CHEMBL4791845 | 366257 | 0 | None | None | None | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 442 | 4 | 2 | 4 | 6.2 | CCOC(=O)c1c(NC(=S)Nc2ccc(C(F)(F)F)cc2)sc2c1C(C)CCC2 | 10.1016/j.ejmech.2020.112387 | |||
| 172439998 | 387629 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 1527 | 48 | 23 | 21 | -4.1 | CSCC[C@H](NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| CHEMBL5399894 | 387629 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 1527 | 48 | 23 | 21 | -4.1 | CSCC[C@H](NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| 155534395 | 336442 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 3333 | 111 | 47 | 45 | -10.3 | CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CCCCCNC(=O)[C@H]1CCCN1C(=O)[C@@H](CC(C)C)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CS)NC(=O)[C@@H](CS)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1016/j.ejmech.2019.03.056 | |||
| CHEMBL4469971 | 336442 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 3333 | 111 | 47 | 45 | -10.3 | CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CCCCCNC(=O)[C@H]1CCCN1C(=O)[C@@H](CC(C)C)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CS)NC(=O)[C@@H](CS)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1016/j.ejmech.2019.03.056 | |||
| 155534395 | 336442 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 3333 | 111 | 47 | 45 | -10.3 | CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CCCCCNC(=O)[C@H]1CCCN1C(=O)[C@@H](CC(C)C)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CS)NC(=O)[C@@H](CS)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1016/j.ejmech.2019.03.056 | |||
| CHEMBL4469971 | 336442 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 3333 | 111 | 47 | 45 | -10.3 | CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CCCCCNC(=O)[C@H]1CCCN1C(=O)[C@@H](CC(C)C)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CS)NC(=O)[C@@H](CS)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1016/j.ejmech.2019.03.056 | |||
| 137637211 | 311762 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 677 | 21 | 7 | 12 | 2.1 | CCc1cc(NC2CCN(C(=O)CCNCCP(=O)(O)O)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 | 10.1021/acs.jmedchem.7b01322 | |||
| CHEMBL4059987 | 311762 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 677 | 21 | 7 | 12 | 2.1 | CCc1cc(NC2CCN(C(=O)CCNCCP(=O)(O)O)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 | 10.1021/acs.jmedchem.7b01322 | |||
| 171357698 | 386408 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 459 | 15 | 4 | 6 | 4.4 | O=[N+]([O-])c1cc(CNCCCNC2CCCCC2)cc(CNCCCNC2CCCCC2)c1 | 10.1016/j.ejmech.2020.112410 | |||
| CHEMBL5276826 | 386408 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 459 | 15 | 4 | 6 | 4.4 | O=[N+]([O-])c1cc(CNCCCNC2CCCCC2)cc(CNCCCNC2CCCCC2)c1 | 10.1016/j.ejmech.2020.112410 | |||
| 57345320 | 8342 | 12 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/ml400183q | |||
| 9882 | 8342 | 12 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/ml400183q | |||
| CHEMBL3091687 | 8342 | 12 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/ml400183q | |||
| 68730442 | 290158 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 581 | 9 | 1 | 8 | 3.6 | O=C(Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)C3CCCc4cccnc43)c21)N1CCOCC1 | nan | |||
| CHEMBL3897853 | 290158 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 581 | 9 | 1 | 8 | 3.6 | O=C(Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)C3CCCc4cccnc43)c21)N1CCOCC1 | nan | |||
| 67501386 | 329329 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 489 | 9 | 2 | 5 | 3.9 | CC(C)CN1CCC2(CCN(Cc3ccc(C(=O)N(Cc4ncc[nH]4)Cc4ncc[nH]4)cc3)CC2)C1 | 10.1016/j.ejmech.2018.02.043 | |||
| CHEMBL4213081 | 329329 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 489 | 9 | 2 | 5 | 3.9 | CC(C)CN1CCC2(CCN(Cc3ccc(C(=O)N(Cc4ncc[nH]4)Cc4ncc[nH]4)cc3)CC2)C1 | 10.1016/j.ejmech.2018.02.043 | |||
| 131801411 | 314193 | 1 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 1009 | 18 | 15 | 13 | -1.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116911 | |||
| 177379330 | 314193 | 1 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 1009 | 18 | 15 | 13 | -1.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116911 | |||
| 178323467 | 314193 | 1 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 1009 | 18 | 15 | 13 | -1.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116911 | |||
| CHEMBL4089168 | 314193 | 1 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 1009 | 18 | 15 | 13 | -1.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116911 | |||
| CHEMBL5612681 | 314193 | 1 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 1009 | 18 | 15 | 13 | -1.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116911 | |||
| CHEMBL6175379 | 314193 | 1 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 1009 | 18 | 15 | 13 | -1.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116911 | |||
| 145977928 | 328888 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 352 | 5 | 0 | 6 | 2.3 | CN(C)C1CCN(N(Cc2ccncn2)C2CCCc3cccnc32)C1 | 10.1016/j.ejmech.2018.02.042 | |||
| CHEMBL4207399 | 328888 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 352 | 5 | 0 | 6 | 2.3 | CN(C)C1CCN(N(Cc2ccncn2)C2CCCc3cccnc32)C1 | 10.1016/j.ejmech.2018.02.042 | |||
| 66902958 | 328987 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 351 | 5 | 1 | 5 | 3.5 | c1ccc(CN2CCC(Nc3nccc(N4CCCCCC4)n3)C2)cc1 | 10.1016/j.ejmech.2018.02.043 | |||
| CHEMBL4208687 | 328987 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 351 | 5 | 1 | 5 | 3.5 | c1ccc(CN2CCC(Nc3nccc(N4CCCCCC4)n3)C2)cc1 | 10.1016/j.ejmech.2018.02.043 | |||
| 138501622 | 355078 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 410 | 6 | 0 | 7 | 2.9 | CC(C)Oc1nc(CN(C)C2CCCc3cccnc32)cc(N2CCN(C)CC2)n1 | 10.1016/j.ejmech.2019.111914 | |||
| CHEMBL4761394 | 355078 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 410 | 6 | 0 | 7 | 2.9 | CC(C)Oc1nc(CN(C)C2CCCc3cccnc32)cc(N2CCN(C)CC2)n1 | 10.1016/j.ejmech.2019.111914 | |||
| 172447516 | 388265 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 1475 | 47 | 23 | 20 | -4.0 | CSCC[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| 172464691 | 388265 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 1475 | 47 | 23 | 20 | -4.0 | CSCC[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| 172467966 | 388265 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 1475 | 47 | 23 | 20 | -4.0 | CSCC[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| CHEMBL5413479 | 388265 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 1475 | 47 | 23 | 20 | -4.0 | CSCC[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| CHEMBL5432339 | 388265 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 1475 | 47 | 23 | 20 | -4.0 | CSCC[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| CHEMBL5436512 | 388265 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 1475 | 47 | 23 | 20 | -4.0 | CSCC[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| CHEMBL3932032 | 487768 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 3096 | 82 | 51 | 43 | -11.0 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| 172454759 | 388447 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 747 | 16 | 2 | 6 | 7.4 | Cc1cc(C)n2c1C=C1C=C(CCC(=O)NCCCCCC(=O)NCCCc3c(CN(C)[C@H]4CCCc5cccnc54)ncc4ccccc34)C=[N+]1[B-]2(F)F | 10.1021/acs.jmedchem.3c00151 | |||
| CHEMBL5417064 | 388447 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 747 | 16 | 2 | 6 | 7.4 | Cc1cc(C)n2c1C=C1C=C(CCC(=O)NCCCCCC(=O)NCCCc3c(CN(C)[C@H]4CCCc5cccnc54)ncc4ccccc34)C=[N+]1[B-]2(F)F | 10.1021/acs.jmedchem.3c00151 | |||
| 118722241 | 235065 | 0 | None | None | None | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 477 | 13 | 6 | 3 | 3.1 | N=C(N)NCCCC[C@H]1C=C[C@H](CCc2ccc3ccccc3c2)N(CCCCNC(=N)N)C1=O | 10.1016/j.bmc.2014.07.004 | |||
| CHEMBL3357471 | 235065 | 0 | None | None | None | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 477 | 13 | 6 | 3 | 3.1 | N=C(N)NCCCC[C@H]1C=C[C@H](CCc2ccc3ccccc3c2)N(CCCCNC(=N)N)C1=O | 10.1016/j.bmc.2014.07.004 | |||
| 57345320 | 8342 | 12 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/acsmedchemlett.8b00441 | |||
| 9882 | 8342 | 12 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/acsmedchemlett.8b00441 | |||
| CHEMBL3091687 | 8342 | 12 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/acsmedchemlett.8b00441 | |||
| 4410 | 6381 | 68 | None | None | None | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.bmc.2009.01.014 | |||
| 65015 | 6381 | 68 | None | None | None | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.bmc.2009.01.014 | |||
| 844 | 6381 | 68 | None | None | None | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.bmc.2009.01.014 | |||
| CHEMBL18442 | 6381 | 68 | None | None | None | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.bmc.2009.01.014 | |||
| DB06809 | 6381 | 68 | None | None | None | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.bmc.2009.01.014 | |||
| 137637457 | 311774 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 969 | 18 | 14 | 12 | -1.3 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C(=O)O)CSSC1(C)C | 10.1021/acs.jmedchem.7b01062 | |||
| CHEMBL4060078 | 311774 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 969 | 18 | 14 | 12 | -1.3 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C(=O)O)CSSC1(C)C | 10.1021/acs.jmedchem.7b01062 | |||
| 25178569 | 350949 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 434 | 4 | 1 | 5 | 5.9 | CC(C)(C)C1CCC(N/C(=N/C2CCCCC2)SCC2=CSC3=NCCN23)CC1 | 10.1021/jm801065q | |||
| CHEMBL462588 | 350949 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 434 | 4 | 1 | 5 | 5.9 | CC(C)(C)C1CCC(N/C(=N/C2CCCCC2)SCC2=CSC3=NCCN23)CC1 | 10.1021/jm801065q | |||
| 172465026 | 389001 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 957 | 32 | 17 | 12 | -2.8 | CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.3c01128 | |||
| CHEMBL5429594 | 389001 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 957 | 32 | 17 | 12 | -2.8 | CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.3c01128 | |||
| 138501425 | 356051 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 366 | 4 | 0 | 6 | 2.5 | Cc1nc(CN2CCC(C)C2c2ccccn2)cc(N2CCN(C)CC2)n1 | 10.1016/j.ejmech.2020.112537 | |||
| CHEMBL4783241 | 356051 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 366 | 4 | 0 | 6 | 2.5 | Cc1nc(CN2CCC(C)C2c2ccccn2)cc(N2CCN(C)CC2)n1 | 10.1016/j.ejmech.2020.112537 | |||
| 171356140 | 386666 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 414 | 14 | 4 | 4 | 4.5 | c1cc(CNCCCNC2CCCCC2)cc(CNCCCNC2CCCCC2)c1 | 10.1016/j.ejmech.2020.112410 | |||
| CHEMBL5283007 | 386666 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 414 | 14 | 4 | 4 | 4.5 | c1cc(CNCCCNC2CCCCC2)cc(CNCCCNC2CCCCC2)c1 | 10.1016/j.ejmech.2020.112410 | |||
| 155513627 | 334349 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 2223 | 82 | 28 | 33 | -7.6 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)NCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCNC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(N)=O | 10.1016/j.bmc.2016.08.062 | |||
| CHEMBL4439040 | 334349 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 2223 | 82 | 28 | 33 | -7.6 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)NCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCNC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(N)=O | 10.1016/j.bmc.2016.08.062 | |||
| CHEMBL375993 | 487555 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 743 | 12 | 11 | 8 | -0.7 | CN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CNC(=O)[C@H]1Cc1ccc(O)cc1 | 10.1021/jm0607350 | |||
| 118965421 | 312754 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 598 | 18 | 5 | 11 | 2.9 | Cc1cc(NC2CCN(C(=O)CCCC(=O)O)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 | 10.1021/acs.jmedchem.7b01322 | |||
| CHEMBL4071355 | 312754 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 598 | 18 | 5 | 11 | 2.9 | Cc1cc(NC2CCN(C(=O)CCCC(=O)O)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 | 10.1021/acs.jmedchem.7b01322 | |||
| 155523400 | 335295 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 342 | 6 | 1 | 2 | 4.7 | Cc1cccc(CNCC2CCN(Cc3ccccc3Cl)CC2)c1 | 10.1016/j.ejmech.2018.10.060 | |||
| CHEMBL4452433 | 335295 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 342 | 6 | 1 | 2 | 4.7 | Cc1cccc(CNCC2CCN(Cc3ccccc3Cl)CC2)c1 | 10.1016/j.ejmech.2018.10.060 | |||
| 172451431 | 388006 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 1457 | 46 | 23 | 19 | -3.7 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| 172461827 | 388006 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 1457 | 46 | 23 | 19 | -3.7 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| CHEMBL5408315 | 388006 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 1457 | 46 | 23 | 19 | -3.7 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| CHEMBL5431168 | 388006 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 1457 | 46 | 23 | 19 | -3.7 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| 46888759 | 22916 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 417 | 7 | 1 | 5 | 3.3 | CN(C)CC(=O)NCc1c(CN(C)[C@H]2CCCc3cccnc32)ncc2ccccc12 | 10.1016/j.bmcl.2010.03.118 | |||
| CHEMBL1094864 | 22916 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 417 | 7 | 1 | 5 | 3.3 | CN(C)CC(=O)NCc1c(CN(C)[C@H]2CCCc3cccnc32)ncc2ccccc12 | 10.1016/j.bmcl.2010.03.118 | |||
| 155551439 | 348056 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 2876 | 99 | 49 | 42 | -16.5 | CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)NCCCCCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)O)[C@@H](C)O | 10.1016/j.ejmech.2019.03.056 | |||
| CHEMBL4542285 | 348056 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 2876 | 99 | 49 | 42 | -16.5 | CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)NCCCCCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)O)[C@@H](C)O | 10.1016/j.ejmech.2019.03.056 | |||
| 53344613 | 157127 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 728 | 12 | 13 | 8 | -0.6 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=N | 10.1021/ml200047e | |||
| CHEMBL2042232 | 157127 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 728 | 12 | 13 | 8 | -0.6 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=N | 10.1021/ml200047e | |||
| CHEMBL2371850 | 485782 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 673 | 10 | 9 | 8 | -1.2 | NCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC1=O | 10.1021/jm050009h | |||
| CHEMBL2012652 | 477512 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 2937 | 77 | 47 | 40 | -7.9 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)C1)C(=O)O | 10.1021/ml200084n | |||
| 53322803 | 121228 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 323 | 8 | 2 | 4 | 3.3 | C[C@@H](c1ccccn1)N(CCCCN)Cc1nc2ccccc2[nH]1 | 10.1016/j.bmcl.2011.01.021 | |||
| CHEMBL1682997 | 121228 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 323 | 8 | 2 | 4 | 3.3 | C[C@@H](c1ccccn1)N(CCCCN)Cc1nc2ccccc2[nH]1 | 10.1016/j.bmcl.2011.01.021 | |||
| 66552366 | 465446 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 729 | 13 | 9 | 8 | 0.5 | C[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1CCCCCN | 10.1016/j.ejmech.2024.116982 | |||
| CHEMBL6078368 | 465446 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 729 | 13 | 9 | 8 | 0.5 | C[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1CCCCCN | 10.1016/j.ejmech.2024.116982 | |||
| CHEMBL191942 | 484985 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 670 | 8 | 8 | 7 | 0.2 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm050009h | |||
| 172450746 | 388451 | 0 | None | None | None | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 1491 | 47 | 24 | 21 | -5.8 | CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CO)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| 172465787 | 388451 | 0 | None | None | None | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 1491 | 47 | 24 | 21 | -5.8 | CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CO)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| CHEMBL5417153 | 388451 | 0 | None | None | None | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 1491 | 47 | 24 | 21 | -5.8 | CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CO)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| CHEMBL5435575 | 388451 | 0 | None | None | None | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 1491 | 47 | 24 | 21 | -5.8 | CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CO)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| 172465026 | 389001 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 957 | 32 | 17 | 12 | -2.8 | CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.3c01128 | |||
| CHEMBL5429594 | 389001 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 957 | 32 | 17 | 12 | -2.8 | CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.3c01128 | |||
| CHEMBL219075 | 485251 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 617 | 10 | 11 | 8 | -3.1 | C[C@@H]1NC(=O)CN(C)C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/jm0607350 | |||
| 171356435 | 386667 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 442 | 12 | 4 | 4 | 3.8 | O=C(NCCCNC1CCCCC1)c1ccc(C(=O)NCCCNC2CCCCC2)cc1 | 10.1016/j.ejmech.2020.112410 | |||
| CHEMBL5283015 | 386667 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 442 | 12 | 4 | 4 | 3.8 | O=C(NCCCNC1CCCCC1)c1ccc(C(=O)NCCCNC2CCCCC2)cc1 | 10.1016/j.ejmech.2020.112410 | |||
| 138501799 | 353438 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 380 | 5 | 0 | 6 | 2.8 | CCN(Cc1cc(N2CCN(C)CC2)nc(C)n1)C1CCCc2cccnc21 | 10.1016/j.ejmech.2019.111914 | |||
| CHEMBL4741628 | 353438 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 380 | 5 | 0 | 6 | 2.8 | CCN(Cc1cc(N2CCN(C)CC2)nc(C)n1)C1CCCc2cccnc21 | 10.1016/j.ejmech.2019.111914 | |||
| 56648503 | 142863 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 2127 | 47 | 25 | 27 | -4.5 | CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CNC(=O)CC(CC(=O)NCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C)NC(=O)CCCCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1 | 10.1021/jm2009716 | |||
| 91930563 | 142863 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 2127 | 47 | 25 | 27 | -4.5 | CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CNC(=O)CC(CC(=O)NCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C)NC(=O)CCCCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1 | 10.1021/jm2009716 | |||
| CHEMBL1949890 | 142863 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 2127 | 47 | 25 | 27 | -4.5 | CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CNC(=O)CC(CC(=O)NCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C)NC(=O)CCCCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1 | 10.1021/jm2009716 | |||
| 145966697 | 329221 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 352 | 4 | 0 | 6 | 2.3 | CN1CCCN(N(Cc2ccncn2)C2CCCc3cccnc32)CC1 | 10.1016/j.ejmech.2018.02.042 | |||
| CHEMBL4211758 | 329221 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 352 | 4 | 0 | 6 | 2.3 | CN1CCCN(N(Cc2ccncn2)C2CCCc3cccnc32)CC1 | 10.1016/j.ejmech.2018.02.042 | |||
| CHEMBL2012529 | 477507 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 2781 | 71 | 42 | 38 | -6.5 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCC[C@@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)C1)C(=O)O | 10.1021/ml200084n | |||
| CHEMBL364011 | 487258 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 701 | 11 | 9 | 8 | -1.3 | NC(=O)CC[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC1=O | 10.1021/jm050009h | |||
| CHEMBL387120 | 487716 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 743 | 12 | 12 | 8 | -0.7 | C[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm0607350 | |||
| 44561526 | 336365 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 606 | 13 | 9 | 5 | 3.0 | N=C(N)NCCCn1c(C(=O)NCCc2c[nH]c3ccccc23)cc2cc(NC(=O)[C@@H](Cc3ccccc3)NC(=N)N)ccc21 | 10.1016/j.bmcl.2008.05.092 | |||
| 44561527 | 336365 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 606 | 13 | 9 | 5 | 3.0 | N=C(N)NCCCn1c(C(=O)NCCc2c[nH]c3ccccc23)cc2cc(NC(=O)[C@@H](Cc3ccccc3)NC(=N)N)ccc21 | 10.1016/j.bmcl.2008.05.092 | |||
| CHEMBL446868 | 336365 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 606 | 13 | 9 | 5 | 3.0 | N=C(N)NCCCn1c(C(=O)NCCc2c[nH]c3ccccc23)cc2cc(NC(=O)[C@@H](Cc3ccccc3)NC(=N)N)ccc21 | 10.1016/j.bmcl.2008.05.092 | |||
| CHEMBL508684 | 336365 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 606 | 13 | 9 | 5 | 3.0 | N=C(N)NCCCn1c(C(=O)NCCc2c[nH]c3ccccc23)cc2cc(NC(=O)[C@@H](Cc3ccccc3)NC(=N)N)ccc21 | 10.1016/j.bmcl.2008.05.092 | |||
| 137655630 | 314580 | 0 | None | None | None | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 898 | 14 | 9 | 8 | 2.6 | CN1C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=O)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H]1Cc1cccc2ccccc12 | 10.1021/acs.jmedchem.8b00336 | |||
| CHEMBL4093348 | 314580 | 0 | None | None | None | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 898 | 14 | 9 | 8 | 2.6 | CN1C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=O)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H]1Cc1cccc2ccccc12 | 10.1021/acs.jmedchem.8b00336 | |||
| CHEMBL3933112 | 487771 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 3054 | 80 | 51 | 43 | -12.0 | CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| 162652106 | 354180 | 0 | None | None | None | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 1090 | 24 | 7 | 15 | 5.0 | CC1(C)CN2C(CS/C(=N\[C@H]3CC[C@H](CNC(=O)COCC(=O)NCCCCCCNC(=O)COCC(=O)N[C@@H]4CC[C@@]5(O)[C@H]6Cc7ccc(O)c8c7[C@@]5(CCN6CC5CC5)[C@H]4O8)CC3)NC3CCCCC3)=CSC2=N1 | 10.1039/c9md00433e | |||
| CHEMBL4750948 | 354180 | 0 | None | None | None | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 1090 | 24 | 7 | 15 | 5.0 | CC1(C)CN2C(CS/C(=N\[C@H]3CC[C@H](CNC(=O)COCC(=O)NCCCCCCNC(=O)COCC(=O)N[C@@H]4CC[C@@]5(O)[C@H]6Cc7ccc(O)c8c7[C@@]5(CCN6CC5CC5)[C@H]4O8)CC3)NC3CCCCC3)=CSC2=N1 | 10.1039/c9md00433e | |||
| 172451431 | 388006 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 1457 | 46 | 23 | 19 | -3.7 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| 172461827 | 388006 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 1457 | 46 | 23 | 19 | -3.7 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| CHEMBL5408315 | 388006 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 1457 | 46 | 23 | 19 | -3.7 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| CHEMBL5431168 | 388006 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 1457 | 46 | 23 | 19 | -3.7 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| 4410 | 6381 | 68 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1128/aac.01727-08 | |||
| 65015 | 6381 | 68 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1128/aac.01727-08 | |||
| 844 | 6381 | 68 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1128/aac.01727-08 | |||
| CHEMBL18442 | 6381 | 68 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1128/aac.01727-08 | |||
| DB06809 | 6381 | 68 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1128/aac.01727-08 | |||
| 138501633 | 355157 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 392 | 4 | 0 | 6 | 3.0 | Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2CCN3CCC[C@H]3C2)n1 | 10.1016/j.ejmech.2019.111914 | |||
| CHEMBL4762425 | 355157 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 392 | 4 | 0 | 6 | 3.0 | Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2CCN3CCC[C@H]3C2)n1 | 10.1016/j.ejmech.2019.111914 | |||
| 155542701 | 347268 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 2855 | 101 | 48 | 40 | -13.6 | CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)CCCCCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CS)C(N)=O | 10.1016/j.ejmech.2019.03.056 | |||
| CHEMBL4521504 | 347268 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 2855 | 101 | 48 | 40 | -13.6 | CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)CCCCCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CS)C(N)=O | 10.1016/j.ejmech.2019.03.056 | |||
| 178320385 | 467766 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 1013 | 18 | 15 | 14 | -3.0 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CCn2cc(nn2)C[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C1 | 10.1016/j.ejmech.2025.117614 | |||
| CHEMBL6193681 | 467766 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 1013 | 18 | 15 | 14 | -3.0 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CCn2cc(nn2)C[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C1 | 10.1016/j.ejmech.2025.117614 | |||
| 145975537 | 328550 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 509 | 9 | 1 | 8 | 3.8 | CN1CCN(c2cc(CN(CCCCNC(=O)OC(C)(C)C)C3CCCc4cccnc43)ncn2)CC1 | 10.1016/j.ejmech.2018.02.042 | |||
| CHEMBL4203303 | 328550 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 509 | 9 | 1 | 8 | 3.8 | CN1CCN(c2cc(CN(CCCCNC(=O)OC(C)(C)C)C3CCCc4cccnc43)ncn2)CC1 | 10.1016/j.ejmech.2018.02.042 | |||
| 145972040 | 329434 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 409 | 8 | 1 | 7 | 2.2 | CN1CCN(c2cc(CN(CCCCN)C3CCCc4cccnc43)ncn2)CC1 | 10.1016/j.ejmech.2018.02.042 | |||
| CHEMBL4214538 | 329434 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 409 | 8 | 1 | 7 | 2.2 | CN1CCN(c2cc(CN(CCCCN)C3CCCc4cccnc43)ncn2)CC1 | 10.1016/j.ejmech.2018.02.042 | |||
| 134132933 | 291912 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 3169 | 82 | 52 | 43 | -9.8 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)c1cc2ccccc2[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| CHEMBL3912312 | 291912 | 0 | None | None | None | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 3169 | 82 | 52 | 43 | -9.8 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)c1cc2ccccc2[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| 44482058 | 20022 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 317 | 6 | 5 | 4 | 0.5 | N=C(N)NCCC[C@@H]1NC(=O)N(/C=C/c2ccc(O)cc2)C1=O | 10.1016/j.ejmech.2024.116594 | |||
| CHEMBL1077995 | 20022 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 317 | 6 | 5 | 4 | 0.5 | N=C(N)NCCC[C@@H]1NC(=O)N(/C=C/c2ccc(O)cc2)C1=O | 10.1016/j.ejmech.2024.116594 | |||
| 138491830 | 328861 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 352 | 4 | 0 | 6 | 2.1 | CN1CCN(c2ccnc(CN(C)C3CCCc4cccnc43)n2)CC1 | 10.1016/j.ejmech.2018.02.042 | |||
| CHEMBL4207126 | 328861 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 352 | 4 | 0 | 6 | 2.1 | CN1CCN(c2ccnc(CN(C)C3CCCc4cccnc43)n2)CC1 | 10.1016/j.ejmech.2018.02.042 | |||
| 71718960 | 179072 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 538 | 15 | 8 | 4 | 5.3 | N=C(NCCCNCCCCNCCCNC(=N)Nc1cccc2ccccc12)Nc1cccc2ccccc12 | 10.1016/j.bmcl.2013.01.107 | |||
| CHEMBL2347630 | 179072 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 538 | 15 | 8 | 4 | 5.3 | N=C(NCCCNCCCCNCCCNC(=N)Nc1cccc2ccccc12)Nc1cccc2ccccc12 | 10.1016/j.bmcl.2013.01.107 | |||
| 5275846 | 160486 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 712 | 12 | 11 | 7 | 0.8 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)C/C=C/[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm049429h | |||
| CHEMBL2113070 | 160486 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 712 | 12 | 11 | 7 | 0.8 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)C/C=C/[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm049429h | |||
| 137637646 | 312147 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 1014 | 19 | 14 | 14 | -1.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/acs.jmedchem.7b01062 | |||
| CHEMBL4064578 | 312147 | 0 | None | None | None | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 1014 | 19 | 14 | 14 | -1.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/acs.jmedchem.7b01062 | |||
| 137654103 | 314885 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 1019 | 18 | 14 | 12 | -0.2 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/acs.jmedchem.7b01062 | |||
| CHEMBL4096721 | 314885 | 0 | None | None | None | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 1019 | 18 | 14 | 12 | -0.2 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/acs.jmedchem.7b01062 | |||
| 25178766 | 372949 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 392 | 4 | 1 | 5 | 5.0 | C1=C(CS/C(=N\C2CCCCC2)NC2CCCCC2)N2CCCN=C2S1 | 10.1021/jm801065q | |||
| CHEMBL516630 | 372949 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 392 | 4 | 1 | 5 | 5.0 | C1=C(CS/C(=N\C2CCCCC2)NC2CCCCC2)N2CCCN=C2S1 | 10.1021/jm801065q | |||
| 25178142 | 373672 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 430 | 4 | 1 | 5 | 5.2 | C1=C(CS/C(=N\C2CCCCC2)NC23CC4CC(CC(C4)C2)C3)N2CCN=C2S1 | 10.1021/jm801065q | |||
| CHEMBL518041 | 373672 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 430 | 4 | 1 | 5 | 5.2 | C1=C(CS/C(=N\C2CCCCC2)NC23CC4CC(CC(C4)C2)C3)N2CCN=C2S1 | 10.1021/jm801065q | |||
| 25147749 | 4280 | 21 | None | None | None | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 5.4 | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 | 10.1021/acsmedchemlett.8b00441 | |||
| 2899 | 4280 | 21 | None | None | None | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 5.4 | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 | 10.1021/acsmedchemlett.8b00441 | |||
| CHEMBL460491 | 4280 | 21 | None | None | None | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 5.4 | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 | 10.1021/acsmedchemlett.8b00441 | |||
| 56647927 | 142848 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 1500 | 28 | 17 | 16 | 0.2 | CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CCCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C | 10.1021/jm2009716 | |||
| 91930550 | 142848 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 1500 | 28 | 17 | 16 | 0.2 | CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CCCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C | 10.1021/jm2009716 | |||
| CHEMBL1949735 | 142848 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 1500 | 28 | 17 | 16 | 0.2 | CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CCCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C | 10.1021/jm2009716 | |||
| CHEMBL2180085 | 485281 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 687 | 11 | 10 | 8 | -0.6 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCN)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm050009h | |||
| CHEMBL2220487 | 485281 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 687 | 11 | 10 | 8 | -0.6 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCN)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm050009h | |||
| 132578413 | 291477 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 345 | 8 | 2 | 3 | 5.4 | CCc1ccc(NCc2cccc(CNc3ccc(CC)cc3)n2)cc1 | 10.1016/j.bmc.2016.08.018 | |||
| CHEMBL3908835 | 291477 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 345 | 8 | 2 | 3 | 5.4 | CCc1ccc(NCc2cccc(CNc3ccc(CC)cc3)n2)cc1 | 10.1016/j.bmc.2016.08.018 | |||
| 163408878 | 386672 | 6 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 414 | 14 | 4 | 4 | 4.5 | c1cc(CNCCCNC2CCCCC2)ccc1CNCCCNC1CCCCC1 | 10.1016/j.ejmech.2020.112410 | |||
| CHEMBL5283078 | 386672 | 6 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 414 | 14 | 4 | 4 | 4.5 | c1cc(CNCCCNC2CCCCC2)ccc1CNCCCNC1CCCCC1 | 10.1016/j.ejmech.2020.112410 | |||
| 50942117 | 119700 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 398 | 6 | 2 | 5 | 3.9 | NCc1ncccc1CN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21 | 10.1016/j.bmcl.2010.11.023 | |||
| CHEMBL1644080 | 119700 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 398 | 6 | 2 | 5 | 3.9 | NCc1ncccc1CN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21 | 10.1016/j.bmcl.2010.11.023 | |||
| 172458784 | 388525 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 966 | 17 | 3 | 10 | 10.1 | CC1(C)CN2C(CS/C(=N/[C@H]3CC[C@H](NC(=O)CCCCCNC(=O)COc4ccc(/C=C/C5=[N+]6C(=Cc7ccc(-c8cccs8)n7[B-]6(F)F)C=C5)cc4)CC3)NC3CCCCC3)=CSC2=N1 | 10.1021/acs.jmedchem.3c00151 | |||
| CHEMBL5418367 | 388525 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 966 | 17 | 3 | 10 | 10.1 | CC1(C)CN2C(CS/C(=N/[C@H]3CC[C@H](NC(=O)CCCCCNC(=O)COc4ccc(/C=C/C5=[N+]6C(=Cc7ccc(-c8cccs8)n7[B-]6(F)F)C=C5)cc4)CC3)NC3CCCCC3)=CSC2=N1 | 10.1021/acs.jmedchem.3c00151 | |||
| 71718363 | 179071 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 649 | 12 | 8 | 3 | 8.2 | N=C(NCCCCN(CCCNC(=N)Nc1ccc2ccccc2c1)C(=N)Nc1ccc2ccccc2c1)Nc1ccc2ccccc2c1 | 10.1016/j.bmcl.2013.01.107 | |||
| CHEMBL2347629 | 179071 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 649 | 12 | 8 | 3 | 8.2 | N=C(NCCCCN(CCCNC(=N)Nc1ccc2ccccc2c1)C(=N)Nc1ccc2ccccc2c1)Nc1ccc2ccccc2c1 | 10.1016/j.bmcl.2013.01.107 | |||
| CHEMBL2112323 | 485099 | 2 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 729 | 12 | 11 | 8 | -1.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC1=O | 10.1021/jm049429h | |||
| 155515208 | 334507 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 3641 | 120 | 51 | 47 | -9.3 | CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CS)C(=O)N[C@H](CS)C(=O)N[C@H](CC(C)C)C(=O)NCC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)N1CCC[C@@H]1C(=O)NCCCCCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CC(=O)O)C(=O)NCC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(N)=O | 10.1016/j.ejmech.2019.03.056 | |||
| CHEMBL4441528 | 334507 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 3641 | 120 | 51 | 47 | -9.3 | CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CS)C(=O)N[C@H](CS)C(=O)N[C@H](CC(C)C)C(=O)NCC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)N1CCC[C@@H]1C(=O)NCCCCCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CC(=O)O)C(=O)NCC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(N)=O | 10.1016/j.ejmech.2019.03.056 | |||
| 155515208 | 334507 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 3641 | 120 | 51 | 47 | -9.3 | CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CS)C(=O)N[C@H](CS)C(=O)N[C@H](CC(C)C)C(=O)NCC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)N1CCC[C@@H]1C(=O)NCCCCCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CC(=O)O)C(=O)NCC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(N)=O | 10.1016/j.ejmech.2019.03.056 | |||
| CHEMBL4441528 | 334507 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 3641 | 120 | 51 | 47 | -9.3 | CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CS)C(=O)N[C@H](CS)C(=O)N[C@H](CC(C)C)C(=O)NCC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)N1CCC[C@@H]1C(=O)NCCCCCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CC(=O)O)C(=O)NCC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(N)=O | 10.1016/j.ejmech.2019.03.056 | |||
| 171351893 | 387011 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 415 | 14 | 4 | 5 | 3.9 | c1cc(CNCCCNC2CCCCC2)ncc1CNCCCNC1CCCCC1 | 10.1016/j.ejmech.2020.112410 | |||
| CHEMBL5291454 | 387011 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 415 | 14 | 4 | 5 | 3.9 | c1cc(CNCCCNC2CCCCC2)ncc1CNCCCNC1CCCCC1 | 10.1016/j.ejmech.2020.112410 | |||
| 4410 | 6381 | 68 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1128/aac.01727-08 | |||
| 65015 | 6381 | 68 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1128/aac.01727-08 | |||
| 844 | 6381 | 68 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1128/aac.01727-08 | |||
| CHEMBL18442 | 6381 | 68 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1128/aac.01727-08 | |||
| DB06809 | 6381 | 68 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1128/aac.01727-08 | |||
| 57345320 | 8342 | 12 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/acsmedchemlett.8b00441 | |||
| 9882 | 8342 | 12 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/acsmedchemlett.8b00441 | |||
| CHEMBL3091687 | 8342 | 12 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/acsmedchemlett.8b00441 | |||
| 4410 | 6381 | 68 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2018.10.060 | |||
| 65015 | 6381 | 68 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2018.10.060 | |||
| 844 | 6381 | 68 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2018.10.060 | |||
| CHEMBL18442 | 6381 | 68 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2018.10.060 | |||
| DB06809 | 6381 | 68 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2018.10.060 | |||
| 155547373 | 347699 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 362 | 6 | 1 | 2 | 5.0 | Clc1ccccc1CNCC1CCN(Cc2ccccc2Cl)CC1 | 10.1016/j.ejmech.2018.10.060 | |||
| CHEMBL4533528 | 347699 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 362 | 6 | 1 | 2 | 5.0 | Clc1ccccc1CNCC1CCN(Cc2ccccc2Cl)CC1 | 10.1016/j.ejmech.2018.10.060 | |||
| 155544179 | 347438 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 329 | 6 | 1 | 3 | 3.7 | Clc1ccccc1CN1CCC(CNCc2cccnc2)CC1 | 10.1016/j.ejmech.2018.10.060 | |||
| CHEMBL4526858 | 347438 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 329 | 6 | 1 | 3 | 3.7 | Clc1ccccc1CN1CCC(CNCc2cccnc2)CC1 | 10.1016/j.ejmech.2018.10.060 | |||
| 56648130 | 142852 | 0 | None | None | None | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 1569 | 33 | 18 | 16 | 1.9 | CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CCCCCCCCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C | 10.1021/jm2009716 | |||
| 91930554 | 142852 | 0 | None | None | None | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 1569 | 33 | 18 | 16 | 1.9 | CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CCCCCCCCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C | 10.1021/jm2009716 | |||
| CHEMBL1949739 | 142852 | 0 | None | None | None | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 1569 | 33 | 18 | 16 | 1.9 | CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CCCCCCCCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C | 10.1021/jm2009716 | |||
| CHEMBL1949730 | 485000 | 0 | None | None | None | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 743 | 12 | 11 | 8 | -0.7 | CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=N)N | 10.1021/jm2009716 | |||
| 177379163 | 385086 | 0 | None | None | None | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 431 | 6 | 0 | 5 | 5.1 | CC(C)N1CCCC(Cn2c(CN(C)[C@H]3CCCc4cccnc43)nc3ccccc32)C1 | 10.1016/j.ejmech.2024.116594 | |||
| CHEMBL5612161 | 385086 | 0 | None | None | None | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 431 | 6 | 0 | 5 | 5.1 | CC(C)N1CCCC(Cn2c(CN(C)[C@H]3CCCc4cccnc43)nc3ccccc32)C1 | 10.1016/j.ejmech.2024.116594 | |||
| 11950261 | 40541 | 7 | None | None | None | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 479 | 17 | 1 | 6 | 4.7 | CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 | 10.1128/aac.01727-08 | |||
| CHEMBL1242211 | 40541 | 7 | None | None | None | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 479 | 17 | 1 | 6 | 4.7 | CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 | 10.1128/aac.01727-08 | |||
| CHEMBL2012526 | 477504 | 0 | None | None | None | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 2781 | 71 | 43 | 38 | -6.6 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)CC1=O | 10.1021/ml200084n | |||
| 11718722 | 40540 | 12 | None | None | None | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 420 | 5 | 1 | 7 | 2.5 | CN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)c(CO)n23)CC1 | 10.1016/j.ejmech.2024.116594 | |||
| CHEMBL1242210 | 40540 | 12 | None | None | None | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 420 | 5 | 1 | 7 | 2.5 | CN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)c(CO)n23)CC1 | 10.1016/j.ejmech.2024.116594 | |||
| 11950261 | 40541 | 7 | None | None | None | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 479 | 17 | 1 | 6 | 4.7 | CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 | 10.1128/aac.01727-08 | |||
| CHEMBL1242211 | 40541 | 7 | None | None | None | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 479 | 17 | 1 | 6 | 4.7 | CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 | 10.1128/aac.01727-08 | |||
| 4410 | 6381 | 68 | None | None | None | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2020.112410 | |||
| 65015 | 6381 | 68 | None | None | None | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2020.112410 | |||
| 844 | 6381 | 68 | None | None | None | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2020.112410 | |||
| CHEMBL18442 | 6381 | 68 | None | None | None | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2020.112410 | |||
| DB06809 | 6381 | 68 | None | None | None | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2020.112410 | |||
| 72546065 | 213559 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 378 | 7 | 1 | 4 | 3.6 | CN1Cc2ccccc2C[C@@H]1CN(CCCCN)[C@H]1CCCc2cccnc21 | 10.1021/ml400183q | |||
| CHEMBL3091693 | 213559 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 378 | 7 | 1 | 4 | 3.6 | CN1Cc2ccccc2C[C@@H]1CN(CCCCN)[C@H]1CCCc2cccnc21 | 10.1021/ml400183q | |||
| 72546066 | 213560 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 406 | 8 | 1 | 4 | 4.3 | CC(C)N1Cc2ccccc2C[C@@H]1CN(CCCCN)[C@H]1CCCc2cccnc21 | 10.1021/ml400183q | |||
| CHEMBL3091694 | 213560 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 406 | 8 | 1 | 4 | 4.3 | CC(C)N1Cc2ccccc2C[C@@H]1CN(CCCCN)[C@H]1CCCc2cccnc21 | 10.1021/ml400183q | |||
| 137633531 | 312203 | 0 | None | None | None | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 476 | 9 | 2 | 5 | 4.7 | CC(C)(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21)CNC1CCOCC1 | 10.1021/acs.jmedchem.7b01420 | |||
| CHEMBL4065224 | 312203 | 0 | None | None | None | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 476 | 9 | 2 | 5 | 4.7 | CC(C)(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21)CNC1CCOCC1 | 10.1021/acs.jmedchem.7b01420 | |||
| 131801411 | 314193 | 1 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 1009 | 18 | 15 | 13 | -1.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/acs.jmedchem.7b01062 | |||
| 177379330 | 314193 | 1 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 1009 | 18 | 15 | 13 | -1.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/acs.jmedchem.7b01062 | |||
| 178323467 | 314193 | 1 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 1009 | 18 | 15 | 13 | -1.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/acs.jmedchem.7b01062 | |||
| CHEMBL4089168 | 314193 | 1 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 1009 | 18 | 15 | 13 | -1.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/acs.jmedchem.7b01062 | |||
| CHEMBL5612681 | 314193 | 1 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 1009 | 18 | 15 | 13 | -1.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/acs.jmedchem.7b01062 | |||
| CHEMBL6175379 | 314193 | 1 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 1009 | 18 | 15 | 13 | -1.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/acs.jmedchem.7b01062 | |||
| 145976437 | 328906 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 351 | 4 | 0 | 5 | 2.7 | CN1CCN(c2ccnc(CN(C)C3CCCc4cccnc43)c2)CC1 | 10.1016/j.ejmech.2018.02.042 | |||
| CHEMBL4207646 | 328906 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 351 | 4 | 0 | 5 | 2.7 | CN1CCN(c2ccnc(CN(C)C3CCCc4cccnc43)c2)CC1 | 10.1016/j.ejmech.2018.02.042 | |||
| 10198583 | 329368 | 3 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 235 | 4 | 2 | 5 | 1.2 | NCCNc1nccc(N2CCCCCC2)n1 | 10.1016/j.ejmech.2018.02.043 | |||
| CHEMBL4213624 | 329368 | 3 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 235 | 4 | 2 | 5 | 1.2 | NCCNc1nccc(N2CCCCCC2)n1 | 10.1016/j.ejmech.2018.02.043 | |||
| 155518667 | 334866 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 1166 | 35 | 18 | 16 | -4.5 | CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)O | 10.1016/j.bmc.2016.08.062 | |||
| CHEMBL4446733 | 334866 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 1166 | 35 | 18 | 16 | -4.5 | CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)O | 10.1016/j.bmc.2016.08.062 | |||
| 178301883 | 466214 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 988 | 18 | 16 | 12 | -3.3 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CC(=O)NCCC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116911 | |||
| CHEMBL6133290 | 466214 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 988 | 18 | 16 | 12 | -3.3 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CC(=O)NCCC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116911 | |||
| 172439799 | 387317 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 1493 | 48 | 23 | 21 | -4.3 | CSCC[C@H](NC(=O)[C@H](N)CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| CHEMBL5393986 | 387317 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 1493 | 48 | 23 | 21 | -4.3 | CSCC[C@H](NC(=O)[C@H](N)CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| 11233382 | 18480 | 5 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 349 | 7 | 2 | 4 | 3.6 | NCCCCN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21 | 10.1021/jm100073m | |||
| CHEMBL1093149 | 18480 | 5 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 349 | 7 | 2 | 4 | 3.6 | NCCCCN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21 | 10.1021/jm100073m | |||
| 138501644 | 354105 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 380 | 4 | 0 | 6 | 2.8 | Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2CCN(C)C[C@H]2C)n1 | 10.1016/j.ejmech.2019.111914 | |||
| CHEMBL4749835 | 354105 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 380 | 4 | 0 | 6 | 2.8 | Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2CCN(C)C[C@H]2C)n1 | 10.1016/j.ejmech.2019.111914 | |||
| 177379332 | 392702 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 1018 | 23 | 18 | 14 | -4.6 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CNC(=O)[C@@H](CCCCNC(N)N)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116669 | |||
| CHEMBL5612187 | 392702 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 1018 | 23 | 18 | 14 | -4.6 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CNC(=O)[C@@H](CCCCNC(N)N)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116669 | |||
| CHEMBL376219 | 487559 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 743 | 12 | 11 | 8 | -0.7 | CN1C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCNC(=N)N | 10.1021/jm0607350 | |||
| CHEMBL2012531 | 477509 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 3025 | 80 | 48 | 42 | -9.2 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)C1)C(=O)O | 10.1021/ml200084n | |||
| CHEMBL2012530 | 477508 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 2938 | 77 | 46 | 40 | -7.7 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)C1)C(=O)O | 10.1021/ml200084n | |||
| 76331766 | 213552 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 407 | 8 | 3 | 4 | 2.9 | NC(=O)NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 | 10.1021/ml400183q | |||
| CHEMBL3091685 | 213552 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 407 | 8 | 3 | 4 | 2.9 | NC(=O)NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 | 10.1021/ml400183q | |||
| 145972839 | 329597 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 366 | 5 | 0 | 6 | 2.7 | CC(C)N1CCN(N(Cc2ccncn2)C2CCCc3cccnc32)CC1 | 10.1016/j.ejmech.2018.02.042 | |||
| CHEMBL4216789 | 329597 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 366 | 5 | 0 | 6 | 2.7 | CC(C)N1CCN(N(Cc2ccncn2)C2CCCc3cccnc32)CC1 | 10.1016/j.ejmech.2018.02.042 | |||
| 137632426 | 312282 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 1003 | 18 | 14 | 12 | -0.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/acs.jmedchem.7b01062 | |||
| CHEMBL4065967 | 312282 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 1003 | 18 | 14 | 12 | -0.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/acs.jmedchem.7b01062 | |||
| 137640842 | 312928 | 0 | None | None | None | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 804 | 13 | 10 | 9 | 0.1 | CN1C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=O)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H]1CS | 10.1021/acs.jmedchem.8b00336 | |||
| CHEMBL4073428 | 312928 | 0 | None | None | None | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 804 | 13 | 10 | 9 | 0.1 | CN1C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=O)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H]1CS | 10.1021/acs.jmedchem.8b00336 | |||
| 71450913 | 160483 | 0 | None | None | None | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 712 | 12 | 10 | 7 | 0.4 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)/C=C\[C@H](CCCN=C(N)N)NC1=O | 10.1021/jm049429h | |||
| CHEMBL2113067 | 160483 | 0 | None | None | None | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 712 | 12 | 10 | 7 | 0.4 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)/C=C\[C@H](CCCN=C(N)N)NC1=O | 10.1021/jm049429h | |||
| 4410 | 6381 | 68 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/acs.jmedchem.7b01322 | |||
| 65015 | 6381 | 68 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/acs.jmedchem.7b01322 | |||
| 844 | 6381 | 68 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/acs.jmedchem.7b01322 | |||
| CHEMBL18442 | 6381 | 68 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/acs.jmedchem.7b01322 | |||
| DB06809 | 6381 | 68 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/acs.jmedchem.7b01322 | |||
| 137638861 | 312892 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 959 | 18 | 15 | 13 | -2.6 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/acs.jmedchem.7b01062 | |||
| CHEMBL4073066 | 312892 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 959 | 18 | 15 | 13 | -2.6 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/acs.jmedchem.7b01062 | |||
| 138501433 | 366474 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 366 | 4 | 0 | 6 | 2.6 | Cc1ccnc([C@@H]2CCCN2Cc2cc(N3CCN(C)CC3)nc(C)n2)c1 | 10.1016/j.ejmech.2020.112537 | |||
| CHEMBL4794732 | 366474 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 366 | 4 | 0 | 6 | 2.6 | Cc1ccnc([C@@H]2CCCN2Cc2cc(N3CCN(C)CC3)nc(C)n2)c1 | 10.1016/j.ejmech.2020.112537 | |||
| 5943987 | 409551 | 3 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 462 | 12 | 1 | 6 | 6.2 | CCN(CC)CCCC(C)Nc1cc(/C=C/c2ccc([N+](=O)[O-])cc2)nc2cc(OC)ccc12 | 10.1016/j.ejmech.2018.02.043 | |||
| CHEMBL578702 | 409551 | 3 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 462 | 12 | 1 | 6 | 6.2 | CCN(CC)CCCC(C)Nc1cc(/C=C/c2ccc([N+](=O)[O-])cc2)nc2cc(OC)ccc12 | 10.1016/j.ejmech.2018.02.043 | |||
| 177379162 | 392698 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 462 | 12 | 1 | 6 | 6.2 | CCN(CC)CCCC(C)Nc1cc(OC)cc2nc(/C=C/c3ccc([N+](=O)[O-])cc3)ccc12 | 10.1016/j.ejmech.2024.116594 | |||
| CHEMBL5612086 | 392698 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 462 | 12 | 1 | 6 | 6.2 | CCN(CC)CCCC(C)Nc1cc(OC)cc2nc(/C=C/c3ccc([N+](=O)[O-])cc3)ccc12 | 10.1016/j.ejmech.2024.116594 | |||
| 155516872 | 334684 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 2847 | 101 | 39 | 41 | -10.8 | CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)NCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCNC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(N)=O | 10.1016/j.bmc.2016.08.062 | |||
| CHEMBL4443891 | 334684 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 2847 | 101 | 39 | 41 | -10.8 | CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)NCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCNC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(N)=O | 10.1016/j.bmc.2016.08.062 | |||
| 178320615 | 467742 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 1013 | 18 | 15 | 14 | -3.0 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CCn2nncc2C[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C1 | 10.1016/j.ejmech.2025.117614 | |||
| CHEMBL6193047 | 467742 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 1013 | 18 | 15 | 14 | -3.0 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CCn2nncc2C[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C1 | 10.1016/j.ejmech.2025.117614 | |||
| 10126019 | 18479 | 18 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 349 | 7 | 2 | 4 | 3.6 | NCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 | 10.1021/jm100073m | |||
| CHEMBL1088913 | 18479 | 18 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 349 | 7 | 2 | 4 | 3.6 | NCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 | 10.1021/jm100073m | |||
| 137637266 | 311861 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 1019 | 18 | 14 | 12 | -0.2 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/acs.jmedchem.7b01062 | |||
| CHEMBL4061034 | 311861 | 0 | None | None | None | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 1019 | 18 | 14 | 12 | -0.2 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/acs.jmedchem.7b01062 | |||
| 138501462 | 356098 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 352 | 4 | 0 | 6 | 2.3 | Cc1nc(CN2CCC[C@H]2c2ccccn2)cc(N2CCN(C)CC2)n1 | 10.1016/j.ejmech.2020.112537 | |||
| CHEMBL4783831 | 356098 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 352 | 4 | 0 | 6 | 2.3 | Cc1nc(CN2CCC[C@H]2c2ccccn2)cc(N2CCN(C)CC2)n1 | 10.1016/j.ejmech.2020.112537 | |||
| 71716524 | 179068 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 481 | 11 | 7 | 3 | 5.3 | N=C(NCCCCNCCCNC(=N)Nc1cccc2ccccc12)Nc1cccc2ccccc12 | 10.1016/j.bmcl.2013.01.107 | |||
| CHEMBL2347626 | 179068 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 481 | 11 | 7 | 3 | 5.3 | N=C(NCCCCNCCCNC(=N)Nc1cccc2ccccc12)Nc1cccc2ccccc12 | 10.1016/j.bmcl.2013.01.107 | |||
| 155528475 | 335858 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 1496 | 53 | 21 | 22 | -5.9 | CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)NCCOCCOCCOCCC(=O)N[C@@H](CCCCN)C(N)=O | 10.1016/j.bmc.2016.08.062 | |||
| CHEMBL4461110 | 335858 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 1496 | 53 | 21 | 22 | -5.9 | CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)NCCOCCOCCOCCC(=O)N[C@@H](CCCCN)C(N)=O | 10.1016/j.bmc.2016.08.062 | |||
| 24894090 | 346818 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 572 | 13 | 9 | 5 | 2.8 | CC(C)C[C@@H](NC(=N)N)C(=O)Nc1ccc2c(c1)cc(C(=O)NCCc1c[nH]c3ccccc13)n2CCCNC(=N)N | 10.1016/j.bmcl.2008.05.092 | |||
| 44561525 | 346818 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 572 | 13 | 9 | 5 | 2.8 | CC(C)C[C@@H](NC(=N)N)C(=O)Nc1ccc2c(c1)cc(C(=O)NCCc1c[nH]c3ccccc13)n2CCCNC(=N)N | 10.1016/j.bmcl.2008.05.092 | |||
| CHEMBL450041 | 346818 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 572 | 13 | 9 | 5 | 2.8 | CC(C)C[C@@H](NC(=N)N)C(=O)Nc1ccc2c(c1)cc(C(=O)NCCc1c[nH]c3ccccc13)n2CCCNC(=N)N | 10.1016/j.bmcl.2008.05.092 | |||
| CHEMBL450815 | 346818 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 572 | 13 | 9 | 5 | 2.8 | CC(C)C[C@@H](NC(=N)N)C(=O)Nc1ccc2c(c1)cc(C(=O)NCCc1c[nH]c3ccccc13)n2CCCNC(=N)N | 10.1016/j.bmcl.2008.05.092 | |||
| CHEMBL3581262 | 487164 | 0 | None | None | None | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 743 | 12 | 12 | 8 | -0.7 | C[C@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O | 10.1021/acs.jmedchem.5b00216 | |||
| CHEMBL3894327 | 487733 | 0 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 3158 | 82 | 51 | 43 | -10.0 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| 25147749 | 4280 | 21 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 5.4 | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 | 10.1021/acsmedchemlett.8b00441 | |||
| 2899 | 4280 | 21 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 5.4 | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 | 10.1021/acsmedchemlett.8b00441 | |||
| CHEMBL460491 | 4280 | 21 | None | None | None | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 5.4 | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 | 10.1021/acsmedchemlett.8b00441 | |||
| 138501726 | 354748 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 392 | 5 | 0 | 6 | 3.0 | CN1CCN(c2cc(CN(C)C3CCCc4cccnc43)nc(C3CC3)n2)CC1 | 10.1016/j.ejmech.2019.111914 | |||
| CHEMBL4757478 | 354748 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 392 | 5 | 0 | 6 | 3.0 | CN1CCN(c2cc(CN(C)C3CCCc4cccnc43)nc(C3CC3)n2)CC1 | 10.1016/j.ejmech.2019.111914 | |||
| 138501722 | 355155 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 367 | 4 | 1 | 7 | 1.7 | CN1CCN(c2cc(CN(C)C3CCCc4cccnc43)nc(N)n2)CC1 | 10.1016/j.ejmech.2019.111914 | |||
| CHEMBL4762385 | 355155 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 367 | 4 | 1 | 7 | 1.7 | CN1CCN(c2cc(CN(C)C3CCCc4cccnc43)nc(N)n2)CC1 | 10.1016/j.ejmech.2019.111914 | |||
| 155534587 | 336488 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 3023 | 113 | 39 | 45 | -10.7 | CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)NCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCOCCOCCNC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(N)=O | 10.1016/j.bmc.2016.08.062 | |||
| CHEMBL4470663 | 336488 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 3023 | 113 | 39 | 45 | -10.7 | CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)NCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCOCCOCCNC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(N)=O | 10.1016/j.bmc.2016.08.062 | |||
| 155542701 | 347268 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 2855 | 101 | 48 | 40 | -13.6 | CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)CCCCCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CS)C(N)=O | 10.1016/j.ejmech.2019.03.056 | |||
| CHEMBL4521504 | 347268 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 2855 | 101 | 48 | 40 | -13.6 | CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)CCCCCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CS)C(N)=O | 10.1016/j.ejmech.2019.03.056 | |||
| CHEMBL374421 | 487517 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 743 | 12 | 11 | 8 | -0.7 | CN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H]1CCCNC(=N)N | 10.1021/jm0607350 | |||
| 137632745 | 312491 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 484 | 14 | 5 | 10 | 2.4 | Cc1cc(NC2CCNCC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 | 10.1021/acs.jmedchem.7b01322 | |||
| CHEMBL4068500 | 312491 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 484 | 14 | 5 | 10 | 2.4 | Cc1cc(NC2CCNCC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 | 10.1021/acs.jmedchem.7b01322 | |||
| CHEMBL3942093 | 487776 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 3004 | 80 | 50 | 42 | -11.9 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| CHEMBL192685 | 484992 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 644 | 8 | 9 | 7 | -0.3 | C[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/jm050009h | |||
| CHEMBL2180080 | 484992 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 644 | 8 | 9 | 7 | -0.3 | C[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/jm050009h | |||
| CHEMBL384429 | 487639 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 644 | 8 | 9 | 7 | -0.3 | C[C@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CNC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O | 10.1021/jm0607350 | |||
| CHEMBL3581261 | 487163 | 0 | None | None | None | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 743 | 12 | 12 | 8 | -0.7 | C[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O | 10.1021/acs.jmedchem.5b00216 | |||
| 4410 | 6381 | 68 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1128/aac.01727-08 | |||
| 65015 | 6381 | 68 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1128/aac.01727-08 | |||
| 844 | 6381 | 68 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1128/aac.01727-08 | |||
| CHEMBL18442 | 6381 | 68 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1128/aac.01727-08 | |||
| DB06809 | 6381 | 68 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1128/aac.01727-08 | |||
| 178306462 | 467219 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 988 | 18 | 16 | 12 | -3.3 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CCC(=O)NCC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116911 | |||
| CHEMBL6171394 | 467219 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 988 | 18 | 16 | 12 | -3.3 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CCC(=O)NCC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116911 | |||
| 138501435 | 366505 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 366 | 4 | 0 | 6 | 2.6 | Cc1cccc([C@@H]2CCCN2Cc2cc(N3CCN(C)CC3)nc(C)n2)n1 | 10.1016/j.ejmech.2020.112537 | |||
| CHEMBL4795219 | 366505 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 366 | 4 | 0 | 6 | 2.6 | Cc1cccc([C@@H]2CCCN2Cc2cc(N3CCN(C)CC3)nc(C)n2)n1 | 10.1016/j.ejmech.2020.112537 | |||
| CHEMBL193217 | 484998 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 715 | 11 | 11 | 8 | -1.7 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm050009h | |||
| CHEMBL2012653 | 477513 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 3095 | 82 | 50 | 43 | -9.9 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)C1)C(=O)O | 10.1021/ml200084n | |||
| 66552368 | 465452 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 757 | 15 | 9 | 8 | 1.3 | C[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1CCCCCCCN | 10.1016/j.ejmech.2024.116982 | |||
| CHEMBL6078501 | 465452 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 757 | 15 | 9 | 8 | 1.3 | C[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1CCCCCCCN | 10.1016/j.ejmech.2024.116982 | |||
| 138501727 | 356392 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 437 | 5 | 0 | 8 | 2.0 | CN1CCN(c2cc(CN(C)C3CCCc4cccnc43)nc(N3CCOCC3)n2)CC1 | 10.1016/j.ejmech.2019.111914 | |||
| CHEMBL4787898 | 356392 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 437 | 5 | 0 | 8 | 2.0 | CN1CCN(c2cc(CN(C)C3CCCc4cccnc43)nc(N3CCOCC3)n2)CC1 | 10.1016/j.ejmech.2019.111914 | |||
| 4410 | 6381 | 68 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/jm801065q | |||
| 65015 | 6381 | 68 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/jm801065q | |||
| 844 | 6381 | 68 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/jm801065q | |||
| CHEMBL18442 | 6381 | 68 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/jm801065q | |||
| DB06809 | 6381 | 68 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/jm801065q | |||
| 138501721 | 353439 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 382 | 5 | 0 | 7 | 2.1 | COc1nc(CN(C)C2CCCc3cccnc32)cc(N2CCN(C)CC2)n1 | 10.1016/j.ejmech.2019.111914 | |||
| CHEMBL4741655 | 353439 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 382 | 5 | 0 | 7 | 2.1 | COc1nc(CN(C)C2CCCc3cccnc32)cc(N2CCN(C)CC2)n1 | 10.1016/j.ejmech.2019.111914 | |||
| 138501445 | 354603 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 380 | 5 | 0 | 6 | 2.7 | CCc1nc(CN(C)C2CCCc3cccnc32)cc(N2CCN(C)CC2)n1 | 10.1016/j.ejmech.2019.111914 | |||
| CHEMBL4755917 | 354603 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 380 | 5 | 0 | 6 | 2.7 | CCc1nc(CN(C)C2CCCc3cccnc32)cc(N2CCN(C)CC2)n1 | 10.1016/j.ejmech.2019.111914 | |||
| 155537468 | 336816 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 3199 | 125 | 39 | 49 | -10.6 | CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCOCCOCCOCCOCCNC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(N)=O | 10.1016/j.bmc.2016.08.062 | |||
| CHEMBL4474901 | 336816 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 3199 | 125 | 39 | 49 | -10.6 | CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCOCCOCCOCCOCCNC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(N)=O | 10.1016/j.bmc.2016.08.062 | |||
| CHEMBL3896146 | 487737 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 3080 | 81 | 50 | 42 | -10.0 | CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| 25178136 | 372110 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 5.4 | C1=C(CS/C(=N\C2CCCCCC2)NC2CCCCCC2)N2CCN=C2S1 | 10.1021/jm801065q | |||
| CHEMBL508054 | 372110 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 5.4 | C1=C(CS/C(=N\C2CCCCCC2)NC2CCCCCC2)N2CCN=C2S1 | 10.1021/jm801065q | |||
| 171355291 | 386557 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 2876 | 100 | 48 | 42 | -16.4 | CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N(CCCCCC(=O)O)[C@@H](CCCCN[C@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)[C@H](C)O)[C@H](C)O)C(N)=O | 10.1016/j.ejmech.2022.114797 | |||
| CHEMBL5280362 | 386557 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 2876 | 100 | 48 | 42 | -16.4 | CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N(CCCCCC(=O)O)[C@@H](CCCCN[C@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)[C@H](C)O)[C@H](C)O)C(N)=O | 10.1016/j.ejmech.2022.114797 | |||
| 137637238 | 311805 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 555 | 17 | 5 | 11 | 2.0 | Cc1cc(NC2CCN(CCC(N)=O)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 | 10.1021/acs.jmedchem.7b01322 | |||
| CHEMBL4060426 | 311805 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 555 | 17 | 5 | 11 | 2.0 | Cc1cc(NC2CCN(CCC(N)=O)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 | 10.1021/acs.jmedchem.7b01322 | |||
| 57343965 | 213547 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 364 | 7 | 2 | 4 | 3.4 | NCCCCN(C[C@@H]1NCCc2ccccc21)[C@H]1CCCc2cccnc21 | 10.1021/ml400183q | |||
| CHEMBL3091678 | 213547 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 364 | 7 | 2 | 4 | 3.4 | NCCCCN(C[C@@H]1NCCc2ccccc21)[C@H]1CCCc2cccnc21 | 10.1021/ml400183q | |||
| CHEMBL375850 | 487541 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 743 | 12 | 11 | 8 | -0.7 | CN1C(=O)CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1Cc1ccc2ccccc2c1 | 10.1021/jm0607350 | |||
| 9959718 | 22113 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 488 | 9 | 2 | 5 | 5.7 | c1ccc(CNCc2ccc(CN(Cc3nc4ccccc4[nH]3)C3CCCc4cccnc43)cc2)nc1 | 10.1021/jm100073m | |||
| CHEMBL1089434 | 22113 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 488 | 9 | 2 | 5 | 5.7 | c1ccc(CNCc2ccc(CN(Cc3nc4ccccc4[nH]3)C3CCCc4cccnc43)cc2)nc1 | 10.1021/jm100073m | |||
| 70694124 | 156226 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 740 | 12 | 11 | 7 | 1.4 | C/C1=C(/C)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=N)N | 10.1021/jm2016914 | |||
| 70694125 | 156226 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 740 | 12 | 11 | 7 | 1.4 | C/C1=C(/C)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=N)N | 10.1021/jm2016914 | |||
| CHEMBL2029610 | 156226 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 740 | 12 | 11 | 7 | 1.4 | C/C1=C(/C)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=N)N | 10.1021/jm2016914 | |||
| CHEMBL2029611 | 156226 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 740 | 12 | 11 | 7 | 1.4 | C/C1=C(/C)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=N)N | 10.1021/jm2016914 | |||
| 155517575 | 334751 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 342 | 6 | 1 | 2 | 4.7 | Cc1ccccc1CNCC1CCN(Cc2ccccc2Cl)CC1 | 10.1016/j.ejmech.2018.10.060 | |||
| CHEMBL4444949 | 334751 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 342 | 6 | 1 | 2 | 4.7 | Cc1ccccc1CNCC1CCN(Cc2ccccc2Cl)CC1 | 10.1016/j.ejmech.2018.10.060 | |||
| 155529936 | 336010 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 376 | 6 | 1 | 2 | 5.3 | Cc1cccc(CNCC2CCN(Cc3c(Cl)cccc3Cl)CC2)c1 | 10.1016/j.ejmech.2018.10.060 | |||
| CHEMBL4463564 | 336010 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 376 | 6 | 1 | 2 | 5.3 | Cc1cccc(CNCC2CCN(Cc3c(Cl)cccc3Cl)CC2)c1 | 10.1016/j.ejmech.2018.10.060 | |||
| 155557524 | 348710 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 372 | 6 | 1 | 4 | 4.1 | Clc1ccccc1CN1CCC(CNCc2ccc3c(c2)OCO3)CC1 | 10.1016/j.ejmech.2018.10.060 | |||
| CHEMBL4558842 | 348710 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 372 | 6 | 1 | 4 | 4.1 | Clc1ccccc1CN1CCC(CNCc2ccc3c(c2)OCO3)CC1 | 10.1016/j.ejmech.2018.10.060 | |||
| 45186446 | 386912 | 0 | None | None | None | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 345 | 5 | 2 | 4 | 1.7 | Cc1c[nH]c(CN2CCC(N3CCCC(C(=O)NC4CC4)C3)CC2)n1 | 10.1021/acs.jmedchem.6b01309 | |||
| CHEMBL5288597 | 386912 | 0 | None | None | None | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 345 | 5 | 2 | 4 | 1.7 | Cc1c[nH]c(CN2CCC(N3CCCC(C(=O)NC4CC4)C3)CC2)n1 | 10.1021/acs.jmedchem.6b01309 | |||
| 10146 | 2618 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 404 | 7 | 1 | 2 | 6.0 | Clc1ccccc1CN1CCC(CC1)CNCc1cccc(c1)c1ccccc1 | 10.1016/j.ejmech.2018.10.060 | |||
| 137321154 | 2618 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 404 | 7 | 1 | 2 | 6.0 | Clc1ccccc1CN1CCC(CC1)CNCc1cccc(c1)c1ccccc1 | 10.1016/j.ejmech.2018.10.060 | |||
| CHEMBL4596188 | 2618 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 404 | 7 | 1 | 2 | 6.0 | Clc1ccccc1CN1CCC(CC1)CNCc1cccc(c1)c1ccccc1 | 10.1016/j.ejmech.2018.10.060 | |||
| 155521148 | 335126 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 396 | 6 | 1 | 2 | 5.6 | Clc1ccccc1CN1CCC(CNCc2cccc(Cl)c2Cl)CC1 | 10.1016/j.ejmech.2018.10.060 | |||
| CHEMBL4450496 | 335126 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 396 | 6 | 1 | 2 | 5.6 | Clc1ccccc1CN1CCC(CNCc2cccc(Cl)c2Cl)CC1 | 10.1016/j.ejmech.2018.10.060 | |||
| 155530935 | 336123 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 324 | 7 | 1 | 3 | 3.7 | COc1ccccc1CN1CCC(CNCc2ccccc2)CC1 | 10.1016/j.ejmech.2018.10.060 | |||
| CHEMBL4465129 | 336123 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 324 | 7 | 1 | 3 | 3.7 | COc1ccccc1CN1CCC(CNCc2ccccc2)CC1 | 10.1016/j.ejmech.2018.10.060 | |||
| 155562280 | 349817 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 342 | 6 | 1 | 2 | 4.7 | Cc1cccc(CNCC2CCN(Cc3cccc(Cl)c3)CC2)c1 | 10.1016/j.ejmech.2018.10.060 | |||
| CHEMBL4585203 | 349817 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 342 | 6 | 1 | 2 | 4.7 | Cc1cccc(CNCC2CCN(Cc3cccc(Cl)c3)CC2)c1 | 10.1016/j.ejmech.2018.10.060 | |||
| 25039232 | 392368 | 17 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 496 | 10 | 2 | 7 | 2.4 | O=S(=O)(NCC1CCCO1)c1ccc(Oc2ccc(S(=O)(=O)NCC3CCCO3)cc2)cc1 | 10.1016/j.ejmech.2024.116605 | |||
| CHEMBL5595185 | 392368 | 17 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 496 | 10 | 2 | 7 | 2.4 | O=S(=O)(NCC1CCCO1)c1ccc(Oc2ccc(S(=O)(=O)NCC3CCCO3)cc2)cc1 | 10.1016/j.ejmech.2024.116605 | |||
| 138501441 | 366037 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 394 | 5 | 0 | 6 | 3.3 | CC(C)c1nc(CN(C)C2CCCc3cccnc32)cc(N2CCN(C)CC2)n1 | 10.1016/j.ejmech.2019.111914 | |||
| CHEMBL4788777 | 366037 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 394 | 5 | 0 | 6 | 3.3 | CC(C)c1nc(CN(C)C2CCCc3cccnc32)cc(N2CCN(C)CC2)n1 | 10.1016/j.ejmech.2019.111914 | |||
| CHEMBL374862 | 487525 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 743 | 12 | 11 | 8 | -0.7 | CN1CC(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](Cc2ccc(O)cc2)C1=O | 10.1021/jm0607350 | |||
| 178301849 | 466861 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 1003 | 18 | 16 | 12 | -2.9 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116911 | |||
| CHEMBL6162813 | 466861 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 1003 | 18 | 16 | 12 | -2.9 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116911 | |||
| 4410 | 6381 | 68 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1128/aac.01727-08 | |||
| 65015 | 6381 | 68 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1128/aac.01727-08 | |||
| 844 | 6381 | 68 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1128/aac.01727-08 | |||
| CHEMBL18442 | 6381 | 68 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1128/aac.01727-08 | |||
| DB06809 | 6381 | 68 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1128/aac.01727-08 | |||
| 4410 | 6381 | 68 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1128/aac.01727-08 | |||
| 65015 | 6381 | 68 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1128/aac.01727-08 | |||
| 844 | 6381 | 68 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1128/aac.01727-08 | |||
| CHEMBL18442 | 6381 | 68 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1128/aac.01727-08 | |||
| DB06809 | 6381 | 68 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1128/aac.01727-08 | |||
| 72535446 | 290576 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 512 | 9 | 2 | 7 | 3.8 | O=C(O)Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)C3CCCc4cccnc43)c21 | nan | |||
| CHEMBL3901316 | 290576 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 512 | 9 | 2 | 7 | 3.8 | O=C(O)Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)C3CCCc4cccnc43)c21 | nan | |||
| 171356021 | 386548 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 2876 | 100 | 48 | 42 | -16.4 | CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N(CCCCCC(=O)O)[C@H](CCCCN[C@@H](CS)C(=O)N[C@@H](C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(N)=O)[C@@H](C)O)[C@@H](C)O)C(N)=O | 10.1016/j.ejmech.2022.114797 | |||
| CHEMBL5280204 | 386548 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 2876 | 100 | 48 | 42 | -16.4 | CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N(CCCCCC(=O)O)[C@H](CCCCN[C@@H](CS)C(=O)N[C@@H](C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(N)=O)[C@@H](C)O)[C@@H](C)O)C(N)=O | 10.1016/j.ejmech.2022.114797 | |||
| 172454759 | 388447 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 747 | 16 | 2 | 6 | 7.4 | Cc1cc(C)n2c1C=C1C=C(CCC(=O)NCCCCCC(=O)NCCCc3c(CN(C)[C@H]4CCCc5cccnc54)ncc4ccccc34)C=[N+]1[B-]2(F)F | 10.1021/acs.jmedchem.3c00151 | |||
| CHEMBL5417064 | 388447 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 747 | 16 | 2 | 6 | 7.4 | Cc1cc(C)n2c1C=C1C=C(CCC(=O)NCCCCCC(=O)NCCCc3c(CN(C)[C@H]4CCCc5cccnc54)ncc4ccccc34)C=[N+]1[B-]2(F)F | 10.1021/acs.jmedchem.3c00151 | |||
| 71589166 | 179065 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 381 | 11 | 7 | 3 | 3.0 | N=C(NCCCCNCCCNC(=N)Nc1ccccc1)Nc1ccccc1 | 10.1016/j.bmcl.2013.01.107 | |||
| CHEMBL2347623 | 179065 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 381 | 11 | 7 | 3 | 3.0 | N=C(NCCCCNCCCNC(=N)Nc1ccccc1)Nc1ccccc1 | 10.1016/j.bmcl.2013.01.107 | |||
| 145964516 | 329072 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 324 | 4 | 1 | 6 | 1.6 | c1cnc2c(c1)CCCC2N(Cc1ccncn1)N1CCNCC1 | 10.1016/j.ejmech.2018.02.042 | |||
| CHEMBL4209872 | 329072 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 324 | 4 | 1 | 6 | 1.6 | c1cnc2c(c1)CCCC2N(Cc1ccncn1)N1CCNCC1 | 10.1016/j.ejmech.2018.02.042 | |||
| 49771586 | 388711 | 7 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 1829 | 57 | 26 | 26 | -6.4 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(C)C)C(C)C)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)O | 10.1021/acs.jmedchem.3c01128 | |||
| CHEMBL5422551 | 388711 | 7 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 1829 | 57 | 26 | 26 | -6.4 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(C)C)C(C)C)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)O | 10.1021/acs.jmedchem.3c01128 | |||
| 172465026 | 389001 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 957 | 32 | 17 | 12 | -2.8 | CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.3c01128 | |||
| CHEMBL5429594 | 389001 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 957 | 32 | 17 | 12 | -2.8 | CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.3c01128 | |||
| 4410 | 6381 | 68 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1128/aac.01727-08 | |||
| 65015 | 6381 | 68 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1128/aac.01727-08 | |||
| 844 | 6381 | 68 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1128/aac.01727-08 | |||
| CHEMBL18442 | 6381 | 68 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1128/aac.01727-08 | |||
| DB06809 | 6381 | 68 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1128/aac.01727-08 | |||
| 172441806 | 387834 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 1499 | 47 | 23 | 19 | -3.5 | CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| CHEMBL5404609 | 387834 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 1499 | 47 | 23 | 19 | -3.5 | CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| 134139204 | 293298 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 3081 | 81 | 50 | 42 | -9.9 | CCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC(CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O)C(C)C | 10.1021/acs.jmedchem.6b00566 | |||
| CHEMBL3923084 | 293298 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 3081 | 81 | 50 | 42 | -9.9 | CCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC(CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O)C(C)C | 10.1021/acs.jmedchem.6b00566 | |||
| 162669638 | 356395 | 0 | None | None | None | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 454 | 4 | 2 | 6 | 5.5 | CCOC(=O)c1c(NC(=S)Nc2ccc3c(c2)OC(F)(F)O3)sc2c1C(C)CCC2 | 10.1016/j.ejmech.2020.112387 | |||
| CHEMBL4787966 | 356395 | 0 | None | None | None | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 454 | 4 | 2 | 6 | 5.5 | CCOC(=O)c1c(NC(=S)Nc2ccc3c(c2)OC(F)(F)O3)sc2c1C(C)CCC2 | 10.1016/j.ejmech.2020.112387 | |||
| 132555266 | 392792 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 331 | 7 | 4 | 4 | 0.9 | COc1ccc(/C=C/N2C(=O)N[C@@H](CCCNC(=N)N)C2=O)cc1 | 10.1016/j.ejmech.2024.116594 | |||
| CHEMBL5613271 | 392792 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 331 | 7 | 4 | 4 | 0.9 | COc1ccc(/C=C/N2C(=O)N[C@@H](CCCNC(=N)N)C2=O)cc1 | 10.1016/j.ejmech.2024.116594 | |||
| 25178563 | 348303 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 434 | 4 | 1 | 5 | 6.2 | C1=C(CS/C(=N\C2CCCCCCC2)NC2CCCCCCC2)N2CCN=C2S1 | 10.1021/jm801065q | |||
| CHEMBL454896 | 348303 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 434 | 4 | 1 | 5 | 6.2 | C1=C(CS/C(=N\C2CCCCCCC2)NC2CCCCCCC2)N2CCN=C2S1 | 10.1021/jm801065q | |||
| 11648393 | 328827 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 465 | 16 | 3 | 5 | 4.0 | CCCN(CCC)CCCCNCc1ccc(C(=O)N(Cc2ncc[nH]2)Cc2ncc[nH]2)cc1 | 10.1016/j.ejmech.2018.02.043 | |||
| CHEMBL4206706 | 328827 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 465 | 16 | 3 | 5 | 4.0 | CCCN(CCC)CCCCNCc1ccc(C(=O)N(Cc2ncc[nH]2)Cc2ncc[nH]2)cc1 | 10.1016/j.ejmech.2018.02.043 | |||
| CHEMBL426635 | 488468 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 687 | 10 | 9 | 8 | -1.7 | NC(=O)C[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC1=O | 10.1021/jm050009h | |||
| 44561524 | 367134 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 519 | 10 | 5 | 4 | 5.3 | N=C(N)NCCc1cc2cc(NC(=O)CCc3ccc(O)cc3)ccc2n1CCc1ccc2ccccc2c1 | 10.1016/j.bmcl.2008.05.092 | |||
| CHEMBL480502 | 367134 | 0 | None | None | None | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 519 | 10 | 5 | 4 | 5.3 | N=C(N)NCCc1cc2cc(NC(=O)CCc3ccc(O)cc3)ccc2n1CCc1ccc2ccccc2c1 | 10.1016/j.bmcl.2008.05.092 | |||
| 172049459 | 317309 | 0 | None | None | None | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 1982 | 47 | 31 | 26 | -6.6 | C[C@H]1/C=C\[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)C(CCCNC(N)=O)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1016/s0960-894x(02)00041-0 | |||
| CHEMBL414085 | 317309 | 0 | None | None | None | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 1982 | 47 | 31 | 26 | -6.6 | C[C@H]1/C=C\[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)C(CCCNC(N)=O)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1016/s0960-894x(02)00041-0 | |||
| 138501437 | 366522 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 366 | 4 | 0 | 6 | 2.6 | Cc1ccc([C@@H]2CCCN2Cc2cc(N3CCN(C)CC3)nc(C)n2)nc1 | 10.1016/j.ejmech.2020.112537 | |||
| CHEMBL4795444 | 366522 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 366 | 4 | 0 | 6 | 2.6 | Cc1ccc([C@@H]2CCCN2Cc2cc(N3CCN(C)CC3)nc(C)n2)nc1 | 10.1016/j.ejmech.2020.112537 | |||
| 25178565 | 350701 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 5.4 | C1=C(CS/C(=N\C2CCCCC2)NC2CCCCCCC2)N2CCN=C2S1 | 10.1021/jm801065q | |||
| CHEMBL460298 | 350701 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 5.4 | C1=C(CS/C(=N\C2CCCCC2)NC2CCCCCCC2)N2CCN=C2S1 | 10.1021/jm801065q | |||
| 25178138 | 388458 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 392 | 4 | 1 | 5 | 5.0 | C1=C(CS/C(=N\C2CCCCC2)NC2CCCCCC2)N2CCN=C2S1 | 10.1021/jm801065q | |||
| CHEMBL541728 | 388458 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 392 | 4 | 1 | 5 | 5.0 | C1=C(CS/C(=N\C2CCCCC2)NC2CCCCCC2)N2CCN=C2S1 | 10.1021/jm801065q | |||
| CHEMBL2012532 | 477510 | 0 | None | None | None | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 2617 | 67 | 41 | 36 | -7.1 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)C1)C(=O)O | 10.1021/ml200084n | |||
| 71589167 | 179066 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 499 | 12 | 8 | 3 | 4.8 | N=C(NCCCCN(CCCNC(=N)Nc1ccccc1)C(=N)Nc1ccccc1)Nc1ccccc1 | 10.1016/j.bmcl.2013.01.107 | |||
| CHEMBL2347624 | 179066 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 499 | 12 | 8 | 3 | 4.8 | N=C(NCCCCN(CCCNC(=N)Nc1ccccc1)C(=N)Nc1ccccc1)Nc1ccccc1 | 10.1016/j.bmcl.2013.01.107 | |||
| CHEMBL3894964 | 487735 | 0 | None | None | None | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 3039 | 78 | 50 | 42 | -11.1 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| 155551439 | 348056 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 2876 | 99 | 49 | 42 | -16.5 | CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)NCCCCCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)O)[C@@H](C)O | 10.1016/j.ejmech.2019.03.056 | |||
| CHEMBL4542285 | 348056 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 2876 | 99 | 49 | 42 | -16.5 | CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)NCCCCCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)O)[C@@H](C)O | 10.1016/j.ejmech.2019.03.056 | |||
| 57345320 | 8342 | 12 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/acsmedchemlett.8b00441 | |||
| 9882 | 8342 | 12 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/acsmedchemlett.8b00441 | |||
| CHEMBL3091687 | 8342 | 12 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/acsmedchemlett.8b00441 | |||
| 4410 | 6381 | 68 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1128/aac.01727-08 | |||
| 65015 | 6381 | 68 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1128/aac.01727-08 | |||
| 844 | 6381 | 68 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1128/aac.01727-08 | |||
| CHEMBL18442 | 6381 | 68 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1128/aac.01727-08 | |||
| DB06809 | 6381 | 68 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1128/aac.01727-08 | |||
| 138501452 | 353964 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 428 | 5 | 0 | 6 | 3.8 | CN1CCN(c2cc(CN(C)C3CCCc4cccnc43)nc(-c3ccccc3)n2)CC1 | 10.1016/j.ejmech.2019.111914 | |||
| CHEMBL4748070 | 353964 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 428 | 5 | 0 | 6 | 3.8 | CN1CCN(c2cc(CN(C)C3CCCc4cccnc43)nc(-c3ccccc3)n2)CC1 | 10.1016/j.ejmech.2019.111914 | |||
| 11176403 | 4278 | 1 | None | None | None | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 378 | 4 | 1 | 5 | 4.6 | C1CCC(CC1)N/C(=N/C1CCCCC1)/SCc1csc2=NCCn12 | 10.1021/jm801065q | |||
| 2900 | 4278 | 1 | None | None | None | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 378 | 4 | 1 | 5 | 4.6 | C1CCC(CC1)N/C(=N/C1CCCCC1)/SCc1csc2=NCCn12 | 10.1021/jm801065q | |||
| CHEMBL452864 | 4278 | 1 | None | None | None | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 378 | 4 | 1 | 5 | 4.6 | C1CCC(CC1)N/C(=N/C1CCCCC1)/SCc1csc2=NCCn12 | 10.1021/jm801065q | |||
| 76335355 | 213551 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 406 | 8 | 2 | 4 | 3.4 | CC(=O)NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 | 10.1021/ml400183q | |||
| CHEMBL3091684 | 213551 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 406 | 8 | 2 | 4 | 3.4 | CC(=O)NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 | 10.1021/ml400183q | |||
| 4410 | 6381 | 68 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2018.02.042 | |||
| 65015 | 6381 | 68 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2018.02.042 | |||
| 844 | 6381 | 68 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2018.02.042 | |||
| CHEMBL18442 | 6381 | 68 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2018.02.042 | |||
| DB06809 | 6381 | 68 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2018.02.042 | |||
| 145975925 | 328839 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 368 | 6 | 1 | 7 | 1.3 | OCCN1CCN(N(Cc2ccncn2)C2CCCc3cccnc32)CC1 | 10.1016/j.ejmech.2018.02.042 | |||
| CHEMBL4206872 | 328839 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 368 | 6 | 1 | 7 | 1.3 | OCCN1CCN(N(Cc2ccncn2)C2CCCc3cccnc32)CC1 | 10.1016/j.ejmech.2018.02.042 | |||
| CHEMBL2029613 | 485020 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 743 | 12 | 11 | 8 | -0.7 | CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCNC(=N)N | 10.1021/jm2016914 | |||
| 57345321 | 251951 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 407 | 9 | 2 | 5 | 3.0 | NCCCCN(C[C@@H]1CN(Cc2ccccc2)CCN1)[C@H]1CCCc2cccnc21 | 10.1016/j.bmcl.2015.04.036 | |||
| CHEMBL3627792 | 251951 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 407 | 9 | 2 | 5 | 3.0 | NCCCCN(C[C@@H]1CN(Cc2ccccc2)CCN1)[C@H]1CCCc2cccnc21 | 10.1016/j.bmcl.2015.04.036 | |||
| 46206136 | 22283 | 0 | None | None | None | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 488 | 9 | 2 | 5 | 5.7 | c1ccc(CNCc2ccc(CN(Cc3nc4ccccc4[nH]3)[C@@H]3CCCc4cccnc43)cc2)nc1 | 10.1021/jm100073m | |||
| CHEMBL1090509 | 22283 | 0 | None | None | None | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 488 | 9 | 2 | 5 | 5.7 | c1ccc(CNCc2ccc(CN(Cc3nc4ccccc4[nH]3)[C@@H]3CCCc4cccnc43)cc2)nc1 | 10.1021/jm100073m | |||
| 138501796 | 366815 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 420 | 4 | 0 | 6 | 3.2 | CN1CCN(c2cc(CN(C)[C@H]3CCCc4cccnc43)nc(C(F)(F)F)n2)CC1 | 10.1016/j.ejmech.2019.111914 | |||
| CHEMBL4799317 | 366815 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 420 | 4 | 0 | 6 | 3.2 | CN1CCN(c2cc(CN(C)[C@H]3CCCc4cccnc43)nc(C(F)(F)F)n2)CC1 | 10.1016/j.ejmech.2019.111914 | |||
| 4410 | 6381 | 68 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1128/aac.01727-08 | |||
| 65015 | 6381 | 68 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1128/aac.01727-08 | |||
| 844 | 6381 | 68 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1128/aac.01727-08 | |||
| CHEMBL18442 | 6381 | 68 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1128/aac.01727-08 | |||
| DB06809 | 6381 | 68 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1128/aac.01727-08 | |||
| 172451431 | 388006 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 1457 | 46 | 23 | 19 | -3.7 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| 172461827 | 388006 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 1457 | 46 | 23 | 19 | -3.7 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| CHEMBL5408315 | 388006 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 1457 | 46 | 23 | 19 | -3.7 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| CHEMBL5431168 | 388006 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 1457 | 46 | 23 | 19 | -3.7 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| 172452641 | 388187 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 1443 | 45 | 23 | 19 | -4.1 | CC(C)C[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| 172467876 | 388187 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 1443 | 45 | 23 | 19 | -4.1 | CC(C)C[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| CHEMBL5411776 | 388187 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 1443 | 45 | 23 | 19 | -4.1 | CC(C)C[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| CHEMBL5434525 | 388187 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 1443 | 45 | 23 | 19 | -4.1 | CC(C)C[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| 56648035 | 142851 | 0 | None | None | None | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 1541 | 31 | 18 | 16 | 1.2 | CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CCCCCCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C | 10.1021/jm2009716 | |||
| 91930553 | 142851 | 0 | None | None | None | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 1541 | 31 | 18 | 16 | 1.2 | CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CCCCCCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C | 10.1021/jm2009716 | |||
| CHEMBL1949738 | 142851 | 0 | None | None | None | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 1541 | 31 | 18 | 16 | 1.2 | CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CCCCCCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C | 10.1021/jm2009716 | |||
| CHEMBL218806 | 485246 | 0 | None | None | None | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 743 | 12 | 11 | 8 | -0.7 | CN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H]1CCCNC(=N)N | 10.1021/jm0607350 | |||
| 11950261 | 40541 | 7 | None | None | None | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 479 | 17 | 1 | 6 | 4.7 | CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 | 10.1128/aac.01727-08 | |||
| CHEMBL1242211 | 40541 | 7 | None | None | None | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 479 | 17 | 1 | 6 | 4.7 | CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 | 10.1128/aac.01727-08 | |||
| 13423 | 2404 | 1 | None | None | None | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 339 | 3 | 0 | 4 | 2.7 | O=C(N1CCN(CC1)C2CCN(CC2)C3=CC=CC=C3)C4=CC=CO4 | 10.1021/acs.jmedchem.4c00184 | |||
| 171061356 | 2404 | 1 | None | None | None | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 339 | 3 | 0 | 4 | 2.7 | O=C(N1CCN(CC1)C2CCN(CC2)C3=CC=CC=C3)C4=CC=CO4 | 10.1021/acs.jmedchem.4c00184 | |||
| CHEMBL5564911 | 2404 | 1 | None | None | None | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 339 | 3 | 0 | 4 | 2.7 | O=C(N1CCN(CC1)C2CCN(CC2)C3=CC=CC=C3)C4=CC=CO4 | 10.1021/acs.jmedchem.4c00184 | |||
| 11950261 | 40541 | 7 | None | None | None | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 479 | 17 | 1 | 6 | 4.7 | CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 | 10.1128/aac.01727-08 | |||
| CHEMBL1242211 | 40541 | 7 | None | None | None | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 479 | 17 | 1 | 6 | 4.7 | CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 | 10.1128/aac.01727-08 | |||
| 46830205 | 23089 | 0 | None | None | None | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 388 | 7 | 0 | 4 | 4.6 | CN(C)CCCc1c(CN(C)[C@H]2CCCc3cccnc32)ncc2ccccc12 | 10.1016/j.bmcl.2010.03.118 | |||
| CHEMBL1096504 | 23089 | 0 | None | None | None | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 388 | 7 | 0 | 4 | 4.6 | CN(C)CCCc1c(CN(C)[C@H]2CCCc3cccnc32)ncc2ccccc12 | 10.1016/j.bmcl.2010.03.118 | |||
| 155521909 | 335230 | 0 | None | None | None | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 578 | 9 | 3 | 8 | 4.1 | c1ccc(CN(Cc2ccnc(-c3cccc(CN4CCCNCCNCCCNCC4)c3)c2)Cc2ccccn2)nc1 | 10.1016/j.bmc.2019.02.013 | |||
| CHEMBL4451705 | 335230 | 0 | None | None | None | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 578 | 9 | 3 | 8 | 4.1 | c1ccc(CN(Cc2ccnc(-c3cccc(CN4CCCNCCNCCCNCC4)c3)c2)Cc2ccccn2)nc1 | 10.1016/j.bmc.2019.02.013 | |||
| 155521909 | 335230 | 0 | None | None | None | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 578 | 9 | 3 | 8 | 4.1 | c1ccc(CN(Cc2ccnc(-c3cccc(CN4CCCNCCNCCCNCC4)c3)c2)Cc2ccccn2)nc1 | 10.1016/j.ejmech.2024.116594 | |||
| CHEMBL4451705 | 335230 | 0 | None | None | None | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 578 | 9 | 3 | 8 | 4.1 | c1ccc(CN(Cc2ccnc(-c3cccc(CN4CCCNCCNCCCNCC4)c3)c2)Cc2ccccn2)nc1 | 10.1016/j.ejmech.2024.116594 | |||
| 178313614 | 466482 | 0 | None | None | None | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 974 | 18 | 16 | 12 | -3.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116911 | |||
| 178323587 | 466482 | 0 | None | None | None | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 974 | 18 | 16 | 12 | -3.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116911 | |||
| CHEMBL6146770 | 466482 | 0 | None | None | None | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 974 | 18 | 16 | 12 | -3.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116911 | |||
| CHEMBL6174013 | 466482 | 0 | None | None | None | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 974 | 18 | 16 | 12 | -3.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116911 | |||
| CHEMBL438934 | 488756 | 0 | None | None | None | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 1924 | 46 | 29 | 27 | -9.2 | COc1ccc(C[C@H]2NC(=O)[C@@H]3CCCN3C(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H](NC(=O)[C@@H](C)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](N)CCCN=C(N)N)CSSC[C@H](C(=O)N[C@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC2=O)cc1 | 10.1021/jm049429h | |||
| 138501632 | 353905 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 392 | 4 | 0 | 6 | 3.0 | Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2CCN3CCC[C@@H]3C2)n1 | 10.1016/j.ejmech.2019.111914 | |||
| CHEMBL4747341 | 353905 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 392 | 4 | 0 | 6 | 3.0 | Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2CCN3CCC[C@@H]3C2)n1 | 10.1016/j.ejmech.2019.111914 | |||
| 72546294 | 213548 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 392 | 8 | 1 | 4 | 3.8 | CN(C)CCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 | 10.1021/ml400183q | |||
| CHEMBL3091681 | 213548 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 392 | 8 | 1 | 4 | 3.8 | CN(C)CCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 | 10.1021/ml400183q | |||
| 11256587 | 5001 | 42 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 349 | 7 | 2 | 4 | 3.6 | NCCCCN([C@H]1CCCc2c1nccc2)Cc1nc2c([nH]1)cccc2 | 10.1021/ml400183q | |||
| 8580 | 5001 | 42 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 349 | 7 | 2 | 4 | 3.6 | NCCCCN([C@H]1CCCc2c1nccc2)Cc1nc2c([nH]1)cccc2 | 10.1021/ml400183q | |||
| CHEMBL518924 | 5001 | 42 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 349 | 7 | 2 | 4 | 3.6 | NCCCCN([C@H]1CCCc2c1nccc2)Cc1nc2c([nH]1)cccc2 | 10.1021/ml400183q | |||
| DB05501 | 5001 | 42 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 349 | 7 | 2 | 4 | 3.6 | NCCCCN([C@H]1CCCc2c1nccc2)Cc1nc2c([nH]1)cccc2 | 10.1021/ml400183q | |||
| 4410 | 6381 | 68 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/ml400183q | |||
| 65015 | 6381 | 68 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/ml400183q | |||
| 844 | 6381 | 68 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/ml400183q | |||
| CHEMBL18442 | 6381 | 68 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/ml400183q | |||
| DB06809 | 6381 | 68 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/ml400183q | |||
| 177379333 | 392853 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 998 | 18 | 15 | 14 | -3.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CCn2nncc2C[C@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116669 | |||
| CHEMBL5614023 | 392853 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 998 | 18 | 15 | 14 | -3.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CCn2nncc2C[C@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116669 | |||
| CHEMBL3914095 | 487755 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 3011 | 78 | 48 | 42 | -10.3 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| 66552367 | 465842 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 743 | 14 | 9 | 8 | 0.9 | C[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1CCCCCCN | 10.1016/j.ejmech.2024.116982 | |||
| 66552427 | 465842 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 743 | 14 | 9 | 8 | 0.9 | C[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1CCCCCCN | 10.1016/j.ejmech.2024.116982 | |||
| CHEMBL6102625 | 465842 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 743 | 14 | 9 | 8 | 0.9 | C[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1CCCCCCN | 10.1016/j.ejmech.2024.116982 | |||
| CHEMBL6133667 | 465842 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 743 | 14 | 9 | 8 | 0.9 | C[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1CCCCCCN | 10.1016/j.ejmech.2024.116982 | |||
| 71716526 | 179077 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 874 | 17 | 10 | 4 | 11.1 | N=C(NCCCN(CCCCN(CCCNC(=N)Nc1ccc2ccccc2c1)C(=N)Nc1ccc2ccccc2c1)C(=N)Nc1ccc2ccccc2c1)Nc1ccc2ccccc2c1 | 10.1016/j.bmcl.2013.01.107 | |||
| CHEMBL2347635 | 179077 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 874 | 17 | 10 | 4 | 11.1 | N=C(NCCCN(CCCCN(CCCNC(=N)Nc1ccc2ccccc2c1)C(=N)Nc1ccc2ccccc2c1)C(=N)Nc1ccc2ccccc2c1)Nc1ccc2ccccc2c1 | 10.1016/j.bmcl.2013.01.107 | |||
| 45231166 | 386342 | 1 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 340 | 7 | 1 | 3 | 3.4 | Cc1nc(CN(C)CC2CCCN(CCc3ccccc3C)C2)c[nH]1 | 10.1021/acs.jmedchem.6b01309 | |||
| CHEMBL5275177 | 386342 | 1 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 340 | 7 | 1 | 3 | 3.4 | Cc1nc(CN(C)CC2CCCN(CCc3ccccc3C)C2)c[nH]1 | 10.1021/acs.jmedchem.6b01309 | |||
| 4410 | 6381 | 68 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1128/aac.01727-08 | |||
| 65015 | 6381 | 68 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1128/aac.01727-08 | |||
| 844 | 6381 | 68 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1128/aac.01727-08 | |||
| CHEMBL18442 | 6381 | 68 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1128/aac.01727-08 | |||
| DB06809 | 6381 | 68 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1128/aac.01727-08 | |||
| 44561446 | 334060 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 570 | 10 | 8 | 5 | 2.5 | N=C(N)NCCCn1c(C(=O)NCCc2c[nH]c3ccccc23)cc2cc(NC(=O)C3CCN(C(=N)N)CC3)ccc21 | 10.1016/j.bmcl.2008.05.092 | |||
| CHEMBL443092 | 334060 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 570 | 10 | 8 | 5 | 2.5 | N=C(N)NCCCn1c(C(=O)NCCc2c[nH]c3ccccc23)cc2cc(NC(=O)C3CCN(C(=N)N)CC3)ccc21 | 10.1016/j.bmcl.2008.05.092 | |||
| 44561483 | 353083 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 516 | 11 | 9 | 5 | 1.4 | N=C(N)NCCCn1c(C(=O)NCCc2c[nH]c3ccccc23)cc2cc(NC(=O)CNC(=N)N)ccc21 | 10.1016/j.bmcl.2008.05.092 | |||
| CHEMBL472323 | 353083 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 516 | 11 | 9 | 5 | 1.4 | N=C(N)NCCCn1c(C(=O)NCCc2c[nH]c3ccccc23)cc2cc(NC(=O)CNC(=N)N)ccc21 | 10.1016/j.bmcl.2008.05.092 | |||
| 172049459 | 317309 | 0 | None | None | None | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 1982 | 47 | 31 | 26 | -6.6 | C[C@H]1/C=C\[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)C(CCCNC(N)=O)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1016/s0960-894x(02)00041-0 | |||
| CHEMBL414085 | 317309 | 0 | None | None | None | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 1982 | 47 | 31 | 26 | -6.6 | C[C@H]1/C=C\[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)C(CCCNC(N)=O)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1016/s0960-894x(02)00041-0 | |||
| 4410 | 6381 | 68 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2019.111914 | |||
| 65015 | 6381 | 68 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2019.111914 | |||
| 844 | 6381 | 68 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2019.111914 | |||
| CHEMBL18442 | 6381 | 68 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2019.111914 | |||
| DB06809 | 6381 | 68 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2019.111914 | |||
| 56648036 | 142861 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 2013 | 43 | 23 | 25 | -2.8 | CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CC(CC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C)NC(=O)CCCCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1 | 10.1021/jm2009716 | |||
| 91930561 | 142861 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 2013 | 43 | 23 | 25 | -2.8 | CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CC(CC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C)NC(=O)CCCCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1 | 10.1021/jm2009716 | |||
| CHEMBL1949888 | 142861 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 2013 | 43 | 23 | 25 | -2.8 | CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CC(CC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C)NC(=O)CCCCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1 | 10.1021/jm2009716 | |||
| 134138747 | 294156 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 3170 | 84 | 51 | 43 | -9.6 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C/C=C/c1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| CHEMBL3930215 | 294156 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 3170 | 84 | 51 | 43 | -9.6 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C/C=C/c1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| 172470899 | 389487 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 1475 | 47 | 23 | 20 | -4.0 | CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](N)CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| CHEMBL5440654 | 389487 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 1475 | 47 | 23 | 20 | -4.0 | CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](N)CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| 70695561 | 159558 | 0 | None | None | None | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 698 | 12 | 10 | 7 | 1.0 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)NC(=O)[C@@H](Cc2ccc3ccccc3c2)/C=C\[C@H](CCCN=C(N)N)NC1=O | 10.1021/jm049429h | |||
| CHEMBL2096822 | 159558 | 0 | None | None | None | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 698 | 12 | 10 | 7 | 1.0 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)NC(=O)[C@@H](Cc2ccc3ccccc3c2)/C=C\[C@H](CCCN=C(N)N)NC1=O | 10.1021/jm049429h | |||
| 172444607 | 387759 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 1479 | 48 | 23 | 21 | -4.5 | CC[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CO)C(=O)O | 10.1021/acs.jmedchem.3c01128 | |||
| 172463834 | 387759 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 1479 | 48 | 23 | 21 | -4.5 | CC[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CO)C(=O)O | 10.1021/acs.jmedchem.3c01128 | |||
| CHEMBL5403146 | 387759 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 1479 | 48 | 23 | 21 | -4.5 | CC[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CO)C(=O)O | 10.1021/acs.jmedchem.3c01128 | |||
| CHEMBL5433597 | 387759 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 1479 | 48 | 23 | 21 | -4.5 | CC[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CO)C(=O)O | 10.1021/acs.jmedchem.3c01128 | |||
| 171348196 | 386270 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 583 | 21 | 6 | 6 | 5.9 | c1c(CNCCCNC2CCCCC2)cc(CNCCCNC2CCCCC2)cc1CNCCCNC1CCCCC1 | 10.1016/j.ejmech.2020.112410 | |||
| CHEMBL5273456 | 386270 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 583 | 21 | 6 | 6 | 5.9 | c1c(CNCCCNC2CCCCC2)cc(CNCCCNC2CCCCC2)cc1CNCCCNC1CCCCC1 | 10.1016/j.ejmech.2020.112410 | |||
| 178307462 | 467073 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 960 | 18 | 16 | 12 | -4.1 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CC(=O)NC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116911 | |||
| CHEMBL6168041 | 467073 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 960 | 18 | 16 | 12 | -4.1 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CC(=O)NC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116911 | |||
| 155539331 | 346965 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 328 | 6 | 1 | 2 | 4.3 | Clc1ccccc1CN1CCC(CNCc2ccccc2)CC1 | 10.1016/j.ejmech.2018.10.060 | |||
| CHEMBL4514484 | 346965 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 328 | 6 | 1 | 2 | 4.3 | Clc1ccccc1CN1CCC(CNCc2ccccc2)CC1 | 10.1016/j.ejmech.2018.10.060 | |||
| 155554725 | 348653 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 344 | 6 | 2 | 3 | 4.0 | Oc1ccc(CNCC2CCN(Cc3ccccc3Cl)CC2)cc1 | 10.1016/j.ejmech.2018.10.060 | |||
| CHEMBL4557428 | 348653 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 344 | 6 | 2 | 3 | 4.0 | Oc1ccc(CNCC2CCN(Cc3ccccc3Cl)CC2)cc1 | 10.1016/j.ejmech.2018.10.060 | |||
| 155566844 | 350573 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 362 | 6 | 1 | 2 | 5.0 | Clc1cccc(CNCC2CCN(Cc3ccccc3Cl)CC2)c1 | 10.1016/j.ejmech.2018.10.060 | |||
| CHEMBL4597725 | 350573 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 362 | 6 | 1 | 2 | 5.0 | Clc1cccc(CNCC2CCN(Cc3ccccc3Cl)CC2)c1 | 10.1016/j.ejmech.2018.10.060 | |||
| 155523400 | 335295 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 342 | 6 | 1 | 2 | 4.7 | Cc1cccc(CNCC2CCN(Cc3ccccc3Cl)CC2)c1 | 10.1016/j.ejmech.2018.10.060 | |||
| CHEMBL4452433 | 335295 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 342 | 6 | 1 | 2 | 4.7 | Cc1cccc(CNCC2CCN(Cc3ccccc3Cl)CC2)c1 | 10.1016/j.ejmech.2018.10.060 | |||
| 155561098 | 349008 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 334 | 6 | 1 | 2 | 4.7 | Clc1ccccc1CN1CCC(CNCC2CCCCC2)CC1 | 10.1016/j.ejmech.2018.10.060 | |||
| CHEMBL4566356 | 349008 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 334 | 6 | 1 | 2 | 4.7 | Clc1ccccc1CN1CCC(CNCC2CCCCC2)CC1 | 10.1016/j.ejmech.2018.10.060 | |||
| 138501614 | 356207 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 352 | 4 | 0 | 6 | 2.3 | Cc1nc(CN2CCCC2c2ccccn2)cc(N2CCN(C)CC2)n1 | 10.1016/j.ejmech.2020.112537 | |||
| CHEMBL4785166 | 356207 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 352 | 4 | 0 | 6 | 2.3 | Cc1nc(CN2CCCC2c2ccccn2)cc(N2CCN(C)CC2)n1 | 10.1016/j.ejmech.2020.112537 | |||
| 155546536 | 347653 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 501 | 8 | 3 | 7 | 3.0 | c1ccc(CN(Cc2ccc(CN3CCCNCCNCCCNCC3)cc2)Cc2ccccn2)nc1 | 10.1016/j.bmc.2019.02.013 | |||
| CHEMBL4532299 | 347653 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 501 | 8 | 3 | 7 | 3.0 | c1ccc(CN(Cc2ccc(CN3CCCNCCNCCCNCC3)cc2)Cc2ccccn2)nc1 | 10.1016/j.bmc.2019.02.013 | |||
| 5275847 | 160487 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 715 | 12 | 11 | 8 | -0.8 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC1=O | 10.1021/jm049429h | |||
| CHEMBL2113071 | 160487 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 715 | 12 | 11 | 8 | -0.8 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC1=O | 10.1021/jm049429h | |||
| 4410 | 6381 | 68 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2022.114150 | |||
| 65015 | 6381 | 68 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2022.114150 | |||
| 844 | 6381 | 68 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2022.114150 | |||
| CHEMBL18442 | 6381 | 68 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2022.114150 | |||
| DB06809 | 6381 | 68 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2022.114150 | |||
| 4410 | 6381 | 68 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2022.114797 | |||
| 65015 | 6381 | 68 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2022.114797 | |||
| 844 | 6381 | 68 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2022.114797 | |||
| CHEMBL18442 | 6381 | 68 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2022.114797 | |||
| DB06809 | 6381 | 68 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2022.114797 | |||
| 145976496 | 328527 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 352 | 5 | 0 | 6 | 2.3 | CCN1CCN(N(Cc2ccncn2)C2CCCc3cccnc32)CC1 | 10.1016/j.ejmech.2018.02.042 | |||
| CHEMBL4203042 | 328527 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 352 | 5 | 0 | 6 | 2.3 | CCN1CCN(N(Cc2ccncn2)C2CCCc3cccnc32)CC1 | 10.1016/j.ejmech.2018.02.042 | |||
| 134158362 | 314483 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 904 | 14 | 13 | 11 | -0.2 | C[C@H](NC(=O)c1cccc(NC(=N)N)c1)C(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/acs.jmedchem.7b01830 | |||
| CHEMBL4092239 | 314483 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 904 | 14 | 13 | 11 | -0.2 | C[C@H](NC(=O)c1cccc(NC(=N)N)c1)C(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/acs.jmedchem.7b01830 | |||
| 4410 | 6381 | 68 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2020.112410 | |||
| 65015 | 6381 | 68 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2020.112410 | |||
| 844 | 6381 | 68 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2020.112410 | |||
| CHEMBL18442 | 6381 | 68 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2020.112410 | |||
| DB06809 | 6381 | 68 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2020.112410 | |||
| 25147749 | 4280 | 21 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 5.4 | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 | 10.1021/acsmedchemlett.8b00441 | |||
| 2899 | 4280 | 21 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 5.4 | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 | 10.1021/acsmedchemlett.8b00441 | |||
| CHEMBL460491 | 4280 | 21 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 5.4 | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 | 10.1021/acsmedchemlett.8b00441 | |||
| 138501659 | 356416 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 391 | 4 | 0 | 7 | 2.3 | Cc1nc(CN(C)C2CCCc3cccnc32)c(C#N)c(N2CCN(C)CC2)n1 | 10.1016/j.ejmech.2019.111914 | |||
| CHEMBL4788248 | 356416 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 391 | 4 | 0 | 7 | 2.3 | Cc1nc(CN(C)C2CCCc3cccnc32)c(C#N)c(N2CCN(C)CC2)n1 | 10.1016/j.ejmech.2019.111914 | |||
| 56648231 | 142855 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 1653 | 39 | 18 | 16 | 4.3 | CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CCCCCCCCCCCCCCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C | 10.1021/jm2009716 | |||
| 91930556 | 142855 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 1653 | 39 | 18 | 16 | 4.3 | CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CCCCCCCCCCCCCCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C | 10.1021/jm2009716 | |||
| CHEMBL1949741 | 142855 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 1653 | 39 | 18 | 16 | 4.3 | CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CCCCCCCCCCCCCCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C | 10.1021/jm2009716 | |||
| CHEMBL192368 | 484990 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 743 | 13 | 11 | 8 | -0.9 | N=C(N)NCCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC1=O | 10.1021/jm050009h | |||
| 70694123 | 156224 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 712 | 12 | 11 | 7 | 0.6 | N=C(N)NCCC[C@H]1/C=C/[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/jm2016914 | |||
| CHEMBL2029608 | 156224 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 712 | 12 | 11 | 7 | 0.6 | N=C(N)NCCC[C@H]1/C=C/[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/jm2016914 | |||
| 70694478 | 157129 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 728 | 12 | 13 | 8 | -0.6 | N=C(N)NCCC[C@@H]1NC(=N)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/ml200047e | |||
| CHEMBL2042234 | 157129 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 728 | 12 | 13 | 8 | -0.6 | N=C(N)NCCC[C@@H]1NC(=N)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/ml200047e | |||
| CHEMBL3923282 | 487760 | 2 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 941 | 18 | 14 | 12 | -2.1 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/acs.jmedchem.7b01062 | |||
| 172458784 | 388525 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 966 | 17 | 3 | 10 | 10.1 | CC1(C)CN2C(CS/C(=N/[C@H]3CC[C@H](NC(=O)CCCCCNC(=O)COc4ccc(/C=C/C5=[N+]6C(=Cc7ccc(-c8cccs8)n7[B-]6(F)F)C=C5)cc4)CC3)NC3CCCCC3)=CSC2=N1 | 10.1021/acs.jmedchem.3c00151 | |||
| CHEMBL5418367 | 388525 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 966 | 17 | 3 | 10 | 10.1 | CC1(C)CN2C(CS/C(=N/[C@H]3CC[C@H](NC(=O)CCCCCNC(=O)COc4ccc(/C=C/C5=[N+]6C(=Cc7ccc(-c8cccs8)n7[B-]6(F)F)C=C5)cc4)CC3)NC3CCCCC3)=CSC2=N1 | 10.1021/acs.jmedchem.3c00151 | |||
| 155558653 | 348800 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 2759 | 97 | 37 | 39 | -9.7 | CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C)C(=O)N[C@H](CCCCN)C(=O)NCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCNC(=O)[C@@H](CCCCN)NC(=O)[C@@H](C)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(N)=O | 10.1016/j.bmc.2016.08.062 | |||
| CHEMBL4561023 | 348800 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 2759 | 97 | 37 | 39 | -9.7 | CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C)C(=O)N[C@H](CCCCN)C(=O)NCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCNC(=O)[C@@H](CCCCN)NC(=O)[C@@H](C)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(N)=O | 10.1016/j.bmc.2016.08.062 | |||
| CHEMBL3955461 | 487792 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 3184 | 84 | 50 | 43 | -9.5 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| 118965334 | 312637 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 470 | 14 | 5 | 10 | 2.1 | c1cc(NC2CCNCC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 | 10.1021/acs.jmedchem.7b01322 | |||
| CHEMBL4070263 | 312637 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 470 | 14 | 5 | 10 | 2.1 | c1cc(NC2CCNCC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 | 10.1021/acs.jmedchem.7b01322 | |||
| 118965395 | 312137 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 613 | 19 | 6 | 12 | 1.7 | Cc1cc(NC2CCN(C(=O)CCNCC(=O)O)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 | 10.1021/acs.jmedchem.7b01322 | |||
| CHEMBL4064397 | 312137 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 613 | 19 | 6 | 12 | 1.7 | Cc1cc(NC2CCN(C(=O)CCNCC(=O)O)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 | 10.1021/acs.jmedchem.7b01322 | |||
| 118965395 | 312137 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 613 | 19 | 6 | 12 | 1.7 | Cc1cc(NC2CCN(C(=O)CCNCC(=O)O)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 | 10.1016/j.ejmech.2024.116594 | |||
| CHEMBL4064397 | 312137 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 613 | 19 | 6 | 12 | 1.7 | Cc1cc(NC2CCN(C(=O)CCNCC(=O)O)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 | 10.1016/j.ejmech.2024.116594 | |||
| 172455253 | 388761 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 1401 | 44 | 21 | 19 | -3.6 | CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C)C(C)C)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| CHEMBL5423812 | 388761 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 1401 | 44 | 21 | 19 | -3.6 | CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C)C(C)C)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| 57345320 | 8342 | 12 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/ml400183q | |||
| 9882 | 8342 | 12 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/ml400183q | |||
| CHEMBL3091687 | 8342 | 12 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/ml400183q | |||
| CHEMBL2180076 | 488626 | 28 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 729 | 12 | 12 | 8 | -1.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1016/j.bmcl.2008.05.092 | |||
| CHEMBL436283 | 488626 | 28 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 729 | 12 | 12 | 8 | -1.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1016/j.bmcl.2008.05.092 | |||
| 132578414 | 296438 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 277 | 4 | 0 | 5 | 0.7 | c1cc(CN2CCOCC2)nc(CN2CCOCC2)c1 | 10.1016/j.bmc.2016.08.018 | |||
| CHEMBL3948266 | 296438 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 277 | 4 | 0 | 5 | 0.7 | c1cc(CN2CCOCC2)nc(CN2CCOCC2)c1 | 10.1016/j.bmc.2016.08.018 | |||
| 53321478 | 121229 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 298 | 8 | 1 | 4 | 3.1 | Cc1cccnc1CN(CCCCN)[C@@H](C)c1ccccn1 | 10.1016/j.bmcl.2011.01.021 | |||
| CHEMBL1682998 | 121229 | 0 | None | None | None | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 298 | 8 | 1 | 4 | 3.1 | Cc1cccnc1CN(CCCCN)[C@@H](C)c1ccccn1 | 10.1016/j.bmcl.2011.01.021 | |||
| 16089559 | 203147 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 280 | 9 | 4 | 6 | 0.4 | C(CCCCNC1=NCCN1)CCCNC1=NCCN1 | 10.1016/j.ejmech.2024.116594 | |||
| CHEMBL307601 | 203147 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 280 | 9 | 4 | 6 | 0.4 | C(CCCCNC1=NCCN1)CCCNC1=NCCN1 | 10.1016/j.ejmech.2024.116594 | |||
| 44418878 | 164738 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 743 | 12 | 12 | 8 | -0.7 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CCCNC(=N)N)NC1=O | 10.1021/jm0607350 | |||
| 44418885 | 164738 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 743 | 12 | 12 | 8 | -0.7 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CCCNC(=N)N)NC1=O | 10.1021/jm0607350 | |||
| CHEMBL219135 | 164738 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 743 | 12 | 12 | 8 | -0.7 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CCCNC(=N)N)NC1=O | 10.1021/jm0607350 | |||
| CHEMBL375991 | 164738 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 743 | 12 | 12 | 8 | -0.7 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CCCNC(=N)N)NC1=O | 10.1021/jm0607350 | |||
| CHEMBL3922941 | 487759 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 3070 | 83 | 52 | 43 | -11.5 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| 171351449 | 385983 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 459 | 15 | 4 | 6 | 4.4 | O=[N+]([O-])c1cc(CNCCCNC2CCCCC2)ccc1CNCCCNC1CCCCC1 | 10.1016/j.ejmech.2020.112410 | |||
| CHEMBL5266216 | 385983 | 0 | None | None | None | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 459 | 15 | 4 | 6 | 4.4 | O=[N+]([O-])c1cc(CNCCCNC2CCCCC2)ccc1CNCCCNC1CCCCC1 | 10.1016/j.ejmech.2020.112410 | |||
| 25181075 | 347522 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 392 | 4 | 0 | 5 | 4.9 | CN(/C(=N/C1CCCCC1)SCC1=CSC2=NCCN12)C1CCCCC1 | 10.1021/jm801065q | |||
| CHEMBL452868 | 347522 | 0 | None | None | None | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 392 | 4 | 0 | 5 | 4.9 | CN(/C(=N/C1CCCCC1)SCC1=CSC2=NCCN12)C1CCCCC1 | 10.1021/jm801065q | |||
| 138501634 | 356223 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 410 | 8 | 1 | 7 | 2.8 | Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(NCCCN2CCOCC2)n1 | 10.1016/j.ejmech.2019.111914 | |||
| CHEMBL4785495 | 356223 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 410 | 8 | 1 | 7 | 2.8 | Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(NCCCN2CCOCC2)n1 | 10.1016/j.ejmech.2019.111914 | |||
| 10126019 | 18479 | 18 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 349 | 7 | 2 | 4 | 3.6 | NCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 | 10.1016/j.bmcl.2010.03.118 | |||
| CHEMBL1088913 | 18479 | 18 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 349 | 7 | 2 | 4 | 3.6 | NCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 | 10.1016/j.bmcl.2010.03.118 | |||
| 177379334 | 392763 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 984 | 18 | 15 | 14 | -3.8 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1Cn2cc(nn2)C[C@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116669 | |||
| 178323126 | 392763 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 984 | 18 | 15 | 14 | -3.8 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1Cn2cc(nn2)C[C@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116669 | |||
| CHEMBL5612927 | 392763 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 984 | 18 | 15 | 14 | -3.8 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1Cn2cc(nn2)C[C@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116669 | |||
| CHEMBL6175091 | 392763 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 984 | 18 | 15 | 14 | -3.8 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1Cn2cc(nn2)C[C@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116669 | |||
| 177379334 | 392763 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 984 | 18 | 15 | 14 | -3.8 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1Cn2cc(nn2)C[C@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116911 | |||
| 178323126 | 392763 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 984 | 18 | 15 | 14 | -3.8 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1Cn2cc(nn2)C[C@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116911 | |||
| CHEMBL5612927 | 392763 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 984 | 18 | 15 | 14 | -3.8 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1Cn2cc(nn2)C[C@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116911 | |||
| CHEMBL6175091 | 392763 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 984 | 18 | 15 | 14 | -3.8 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1Cn2cc(nn2)C[C@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116911 | |||
| 56955853 | 276079 | 1 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 501 | 12 | 5 | 7 | 4.8 | c1ccc2c(NC3CCNCC3)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)nc2c1 | 10.1016/j.ejmech.2018.02.043 | |||
| CHEMBL3779982 | 276079 | 1 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 501 | 12 | 5 | 7 | 4.8 | c1ccc2c(NC3CCNCC3)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)nc2c1 | 10.1016/j.ejmech.2018.02.043 | |||
| 137651859 | 313136 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 959 | 18 | 15 | 13 | -2.6 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/acs.jmedchem.7b01062 | |||
| CHEMBL4076358 | 313136 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 959 | 18 | 15 | 13 | -2.6 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/acs.jmedchem.7b01062 | |||
| 178304029 | 467131 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 960 | 18 | 16 | 12 | -4.1 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CNC(=O)C[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116911 | |||
| 178305857 | 467131 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 960 | 18 | 16 | 12 | -4.1 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CNC(=O)C[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116911 | |||
| CHEMBL6169375 | 467131 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 960 | 18 | 16 | 12 | -4.1 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CNC(=O)C[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116911 | |||
| CHEMBL6175714 | 467131 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 960 | 18 | 16 | 12 | -4.1 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CNC(=O)C[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116911 | |||
| 162666072 | 356128 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 979 | 21 | 7 | 15 | 2.2 | CC1(C)CN2C(CS/C(N)=N\[C@H]3CC[C@H](CNC(=O)COCC(=O)NCCCCNC(=O)COCC(=O)N[C@@H]4CC[C@@]5(O)[C@H]6Cc7ccc(O)c8c7[C@@]5(CCN6CC5CC5)[C@H]4O8)CC3)=CSC2=N1 | 10.1021/acsmedchemlett.0c00444 | |||
| CHEMBL4784104 | 356128 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 979 | 21 | 7 | 15 | 2.2 | CC1(C)CN2C(CS/C(N)=N\[C@H]3CC[C@H](CNC(=O)COCC(=O)NCCCCNC(=O)COCC(=O)N[C@@H]4CC[C@@]5(O)[C@H]6Cc7ccc(O)c8c7[C@@]5(CCN6CC5CC5)[C@H]4O8)CC3)=CSC2=N1 | 10.1021/acsmedchemlett.0c00444 | |||
| 172036661 | 197333 | 0 | None | None | None | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 1988 | 49 | 30 | 27 | -7.0 | C[C@H]1/C=C\[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](CSCc2ccccc2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)C(CCCNC(N)=O)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1016/s0960-894x(02)00041-0 | |||
| CHEMBL266632 | 197333 | 0 | None | None | None | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 1988 | 49 | 30 | 27 | -7.0 | C[C@H]1/C=C\[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](CSCc2ccccc2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)C(CCCNC(N)=O)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1016/s0960-894x(02)00041-0 | |||
| CHEMBL3905094 | 487750 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 3080 | 81 | 50 | 42 | -10.0 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| 137640469 | 312991 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 1014 | 19 | 14 | 14 | -1.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/acs.jmedchem.7b01062 | |||
| CHEMBL4074277 | 312991 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 1014 | 19 | 14 | 14 | -1.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/acs.jmedchem.7b01062 | |||
| CHEMBL1949730 | 485000 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 743 | 12 | 11 | 8 | -0.7 | CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=N)N | 10.1021/ml200047e | |||
| 44561526 | 336365 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 606 | 13 | 9 | 5 | 3.0 | N=C(N)NCCCn1c(C(=O)NCCc2c[nH]c3ccccc23)cc2cc(NC(=O)[C@@H](Cc3ccccc3)NC(=N)N)ccc21 | 10.1016/j.bmcl.2008.05.092 | |||
| 44561527 | 336365 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 606 | 13 | 9 | 5 | 3.0 | N=C(N)NCCCn1c(C(=O)NCCc2c[nH]c3ccccc23)cc2cc(NC(=O)[C@@H](Cc3ccccc3)NC(=N)N)ccc21 | 10.1016/j.bmcl.2008.05.092 | |||
| CHEMBL446868 | 336365 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 606 | 13 | 9 | 5 | 3.0 | N=C(N)NCCCn1c(C(=O)NCCc2c[nH]c3ccccc23)cc2cc(NC(=O)[C@@H](Cc3ccccc3)NC(=N)N)ccc21 | 10.1016/j.bmcl.2008.05.092 | |||
| CHEMBL508684 | 336365 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 606 | 13 | 9 | 5 | 3.0 | N=C(N)NCCCn1c(C(=O)NCCc2c[nH]c3ccccc23)cc2cc(NC(=O)[C@@H](Cc3ccccc3)NC(=N)N)ccc21 | 10.1016/j.bmcl.2008.05.092 | |||
| 25178140 | 350702 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 364 | 4 | 1 | 5 | 4.2 | C1=C(CS/C(=N\C2CCCCC2)NC2CCCC2)N2CCN=C2S1 | 10.1021/jm801065q | |||
| CHEMBL460299 | 350702 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 364 | 4 | 1 | 5 | 4.2 | C1=C(CS/C(=N\C2CCCCC2)NC2CCCC2)N2CCN=C2S1 | 10.1021/jm801065q | |||
| CHEMBL2012651 | 477511 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 2781 | 71 | 43 | 38 | -6.6 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)C1)C(=O)O | 10.1021/ml200084n | |||
| 71719570 | 179076 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 874 | 17 | 10 | 4 | 11.1 | N=C(NCCCN(CCCCN(CCCNC(=N)Nc1cccc2ccccc12)C(=N)Nc1cccc2ccccc12)C(=N)Nc1cccc2ccccc12)Nc1cccc2ccccc12 | 10.1016/j.bmcl.2013.01.107 | |||
| CHEMBL2347634 | 179076 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 874 | 17 | 10 | 4 | 11.1 | N=C(NCCCN(CCCCN(CCCNC(=N)Nc1cccc2ccccc12)C(=N)Nc1cccc2ccccc12)C(=N)Nc1cccc2ccccc12)Nc1cccc2ccccc12 | 10.1016/j.bmcl.2013.01.107 | |||
| 25178134 | 348225 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 350 | 4 | 1 | 5 | 3.8 | C1=C(CS/C(=N\C2CCCC2)NC2CCCC2)N2CCN=C2S1 | 10.1021/jm801065q | |||
| CHEMBL454689 | 348225 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 350 | 4 | 1 | 5 | 3.8 | C1=C(CS/C(=N\C2CCCC2)NC2CCCC2)N2CCN=C2S1 | 10.1021/jm801065q | |||
| 56648501 | 142862 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 2113 | 46 | 25 | 27 | -4.9 | CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CNC(=O)C[C@H](NC(=O)CCCCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)NCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C | 10.1021/jm2009716 | |||
| 91930562 | 142862 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 2113 | 46 | 25 | 27 | -4.9 | CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CNC(=O)C[C@H](NC(=O)CCCCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)NCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C | 10.1021/jm2009716 | |||
| CHEMBL1949889 | 142862 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 2113 | 46 | 25 | 27 | -4.9 | CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CNC(=O)C[C@H](NC(=O)CCCCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)NCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C | 10.1021/jm2009716 | |||
| 71525976 | 309600 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 453 | 7 | 3 | 8 | 3.1 | Cc1ccc(C(Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)C2(C)CCCO2)o1 | 10.1021/acs.jmedchem.5b01337 | |||
| CHEMBL3979652 | 309600 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 453 | 7 | 3 | 8 | 3.1 | Cc1ccc(C(Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)C2(C)CCCO2)o1 | 10.1021/acs.jmedchem.5b01337 | |||
| 155539331 | 346965 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 328 | 6 | 1 | 2 | 4.3 | Clc1ccccc1CN1CCC(CNCc2ccccc2)CC1 | 10.1016/j.ejmech.2018.10.060 | |||
| CHEMBL4514484 | 346965 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 328 | 6 | 1 | 2 | 4.3 | Clc1ccccc1CN1CCC(CNCc2ccccc2)CC1 | 10.1016/j.ejmech.2018.10.060 | |||
| 137660848 | 314955 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 599 | 19 | 6 | 12 | 1.4 | O=C(O)CNCCC(=O)N1CCC(Nc2ccnc(NCc3cn(CCCNCCCNC4CCCCC4)nn3)n2)CC1 | 10.1021/acs.jmedchem.7b01322 | |||
| CHEMBL4097496 | 314955 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 599 | 19 | 6 | 12 | 1.4 | O=C(O)CNCCC(=O)N1CCC(Nc2ccnc(NCc3cn(CCCNCCCNC4CCCCC4)nn3)n2)CC1 | 10.1021/acs.jmedchem.7b01322 | |||
| 56647830 | 142847 | 0 | None | None | None | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 1499 | 28 | 18 | 16 | -0.0 | CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CCCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C | 10.1021/jm2009716 | |||
| 91930549 | 142847 | 0 | None | None | None | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 1499 | 28 | 18 | 16 | -0.0 | CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CCCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C | 10.1021/jm2009716 | |||
| CHEMBL1949734 | 142847 | 0 | None | None | None | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 1499 | 28 | 18 | 16 | -0.0 | CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CCCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C | 10.1021/jm2009716 | |||
| 56648034 | 142850 | 0 | None | None | None | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 1513 | 29 | 18 | 16 | 0.4 | CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CCCCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C | 10.1021/jm2009716 | |||
| 91930552 | 142850 | 0 | None | None | None | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 1513 | 29 | 18 | 16 | 0.4 | CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CCCCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C | 10.1021/jm2009716 | |||
| CHEMBL1949737 | 142850 | 0 | None | None | None | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 1513 | 29 | 18 | 16 | 0.4 | CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CCCCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C | 10.1021/jm2009716 | |||
| 57391612 | 142854 | 0 | None | None | None | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 1612 | 36 | 17 | 16 | 3.3 | CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CCCCCCCCCCCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C | 10.1021/jm2009716 | |||
| 91930555 | 142854 | 0 | None | None | None | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 1612 | 36 | 17 | 16 | 3.3 | CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CCCCCCCCCCCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C | 10.1021/jm2009716 | |||
| CHEMBL1949740 | 142854 | 0 | None | None | None | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 1612 | 36 | 17 | 16 | 3.3 | CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CCCCCCCCCCCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C | 10.1021/jm2009716 | |||
| CHEMBL2180076 | 488626 | 28 | None | None | None | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 729 | 12 | 12 | 8 | -1.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1016/j.bmc.2014.07.004 | |||
| CHEMBL436283 | 488626 | 28 | None | None | None | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 729 | 12 | 12 | 8 | -1.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1016/j.bmc.2014.07.004 | |||
| CHEMBL219474 | 485261 | 0 | None | None | None | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 729 | 12 | 12 | 8 | -1.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/jm0607350 | |||
| 53344611 | 157123 | 0 | None | None | None | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 728 | 12 | 13 | 8 | -0.6 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=N)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/ml200047e | |||
| CHEMBL2042118 | 157123 | 0 | None | None | None | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 728 | 12 | 13 | 8 | -0.6 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=N)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/ml200047e | |||
| CHEMBL2180077 | 488625 | 0 | None | None | None | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 729 | 12 | 12 | 8 | -1.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm050009h | |||
| CHEMBL436097 | 488625 | 0 | None | None | None | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 729 | 12 | 12 | 8 | -1.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm050009h | |||
| 155545664 | 347563 | 0 | None | None | None | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 578 | 9 | 3 | 8 | 4.1 | c1ccc(CN(Cc2ccc(-c3ncccc3CN3CCCNCCNCCCNCC3)cc2)Cc2ccccn2)nc1 | 10.1016/j.bmc.2019.02.013 | |||
| CHEMBL4529751 | 347563 | 0 | None | None | None | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 578 | 9 | 3 | 8 | 4.1 | c1ccc(CN(Cc2ccc(-c3ncccc3CN3CCCNCCNCCCNCC3)cc2)Cc2ccccn2)nc1 | 10.1016/j.bmc.2019.02.013 | |||
| 155545664 | 347563 | 0 | None | None | None | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 578 | 9 | 3 | 8 | 4.1 | c1ccc(CN(Cc2ccc(-c3ncccc3CN3CCCNCCNCCCNCC3)cc2)Cc2ccccn2)nc1 | 10.1016/j.ejmech.2024.116594 | |||
| CHEMBL4529751 | 347563 | 0 | None | None | None | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 578 | 9 | 3 | 8 | 4.1 | c1ccc(CN(Cc2ccc(-c3ncccc3CN3CCCNCCNCCCNCC3)cc2)Cc2ccccn2)nc1 | 10.1016/j.ejmech.2024.116594 | |||
| CHEMBL370001 | 487482 | 0 | None | None | None | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 715 | 12 | 11 | 8 | -0.7 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC1=O | 10.1021/jm049429h | |||
| 15959068 | 22611 | 0 | None | None | None | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 431 | 6 | 0 | 5 | 5.1 | CC(C)N1CCC[C@H](Cn2c(CN(C)[C@H]3CCCc4cccnc43)nc3ccccc32)C1 | 10.1016/j.bmcl.2010.02.053 | |||
| CHEMBL1092637 | 22611 | 0 | None | None | None | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 431 | 6 | 0 | 5 | 5.1 | CC(C)N1CCC[C@H](Cn2c(CN(C)[C@H]3CCCc4cccnc43)nc3ccccc32)C1 | 10.1016/j.bmcl.2010.02.053 | |||
| 131801411 | 314193 | 1 | None | None | None | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 1009 | 18 | 15 | 13 | -1.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116669 | |||
| 177379330 | 314193 | 1 | None | None | None | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 1009 | 18 | 15 | 13 | -1.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116669 | |||
| 178323467 | 314193 | 1 | None | None | None | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 1009 | 18 | 15 | 13 | -1.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116669 | |||
| CHEMBL4089168 | 314193 | 1 | None | None | None | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 1009 | 18 | 15 | 13 | -1.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116669 | |||
| CHEMBL5612681 | 314193 | 1 | None | None | None | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 1009 | 18 | 15 | 13 | -1.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116669 | |||
| CHEMBL6175379 | 314193 | 1 | None | None | None | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 1009 | 18 | 15 | 13 | -1.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116669 | |||
| 70681869 | 157124 | 0 | None | None | None | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 728 | 12 | 13 | 8 | -0.6 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=N)[C@@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/ml200047e | |||
| CHEMBL2042119 | 157124 | 0 | None | None | None | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 728 | 12 | 13 | 8 | -0.6 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=N)[C@@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/ml200047e | |||
| 72546295 | 213549 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 406 | 9 | 2 | 4 | 4.3 | CC(C)NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 | 10.1021/ml400183q | |||
| CHEMBL3091682 | 213549 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 406 | 9 | 2 | 4 | 4.3 | CC(C)NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 | 10.1021/ml400183q | |||
| 72546063 | 213557 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 445 | 9 | 1 | 6 | 4.1 | NCCCCN(C[C@H]1Cc2ccccc2CN1Cc1cocn1)[C@H]1CCCc2cccnc21 | 10.1021/ml400183q | |||
| CHEMBL3091691 | 213557 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 445 | 9 | 1 | 6 | 4.1 | NCCCCN(C[C@H]1Cc2ccccc2CN1Cc1cocn1)[C@H]1CCCc2cccnc21 | 10.1021/ml400183q | |||
| 66552428 | 465873 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 785 | 15 | 11 | 8 | 0.4 | C[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1CCCCCCNC(=N)N | 10.1016/j.ejmech.2024.116982 | |||
| CHEMBL6103119 | 465873 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 785 | 15 | 11 | 8 | 0.4 | C[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1CCCCCCNC(=N)N | 10.1016/j.ejmech.2024.116982 | |||
| 71680586 | 179074 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 706 | 16 | 9 | 4 | 8.2 | N=C(NCCCNCCCCN(CCCNC(=N)Nc1cccc2ccccc12)C(=N)Nc1cccc2ccccc12)Nc1cccc2ccccc12 | 10.1016/j.bmcl.2013.01.107 | |||
| CHEMBL2347632 | 179074 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 706 | 16 | 9 | 4 | 8.2 | N=C(NCCCNCCCCN(CCCNC(=N)Nc1cccc2ccccc12)C(=N)Nc1cccc2ccccc12)Nc1cccc2ccccc12 | 10.1016/j.bmcl.2013.01.107 | |||
| CHEMBL3923282 | 487760 | 2 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 941 | 18 | 14 | 12 | -2.1 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/acs.jmedchem.7b01062 | |||
| 118965258 | 2534 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 649 | 18 | 6 | 12 | 2.7 | OC(=O)[C@H](CCC(=O)N1CCC(CC1)Nc1nc(NCc2nnn(c2)CCCNCCCNC2CCCCC2)nc2c1cccc2)N | 10.1016/j.ejmech.2024.116594 | |||
| 9701 | 2534 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 649 | 18 | 6 | 12 | 2.7 | OC(=O)[C@H](CCC(=O)N1CCC(CC1)Nc1nc(NCc2nnn(c2)CCCNCCCNC2CCCCC2)nc2c1cccc2)N | 10.1016/j.ejmech.2024.116594 | |||
| CHEMBL5613484 | 2534 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 649 | 18 | 6 | 12 | 2.7 | OC(=O)[C@H](CCC(=O)N1CCC(CC1)Nc1nc(NCc2nnn(c2)CCCNCCCNC2CCCCC2)nc2c1cccc2)N | 10.1016/j.ejmech.2024.116594 | |||
| 135231968 | 392863 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 613 | 19 | 6 | 11 | 2.7 | Cc1cc(NC2CCN(C(=O)CCNCC(=O)O)CC2)nc(NCc2nc(CCCNCCCNC3CCCCC3)co2)n1 | 10.1016/j.ejmech.2024.116594 | |||
| CHEMBL5614109 | 392863 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 613 | 19 | 6 | 11 | 2.7 | Cc1cc(NC2CCN(C(=O)CCNCC(=O)O)CC2)nc(NCc2nc(CCCNCCCNC3CCCCC3)co2)n1 | 10.1016/j.ejmech.2024.116594 | |||
| 171342803 | 386105 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 464 | 14 | 4 | 4 | 5.6 | c1ccc2c(CNCCCNC3CCCCC3)ccc(CNCCCNC3CCCCC3)c2c1 | 10.1016/j.ejmech.2020.112410 | |||
| CHEMBL5269411 | 386105 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 464 | 14 | 4 | 4 | 5.6 | c1ccc2c(CNCCCNC3CCCCC3)ccc(CNCCCNC3CCCCC3)c2c1 | 10.1016/j.ejmech.2020.112410 | |||
| 4410 | 6381 | 68 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/acs.jmedchem.3c01128 | |||
| 65015 | 6381 | 68 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/acs.jmedchem.3c01128 | |||
| 844 | 6381 | 68 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/acs.jmedchem.3c01128 | |||
| CHEMBL18442 | 6381 | 68 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/acs.jmedchem.3c01128 | |||
| DB06809 | 6381 | 68 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/acs.jmedchem.3c01128 | |||
| 155542701 | 347268 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 2855 | 101 | 48 | 40 | -13.6 | CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)CCCCCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CS)C(N)=O | 10.1016/j.ejmech.2019.03.056 | |||
| CHEMBL4521504 | 347268 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 2855 | 101 | 48 | 40 | -13.6 | CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)CCCCCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CS)C(N)=O | 10.1016/j.ejmech.2019.03.056 | |||
| 172456042 | 388489 | 0 | None | None | None | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 1509 | 48 | 24 | 22 | -6.1 | CSCC[C@H](NC(=O)[C@@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| 172462376 | 388489 | 0 | None | None | None | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 1509 | 48 | 24 | 22 | -6.1 | CSCC[C@H](NC(=O)[C@@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| CHEMBL5417685 | 388489 | 0 | None | None | None | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 1509 | 48 | 24 | 22 | -6.1 | CSCC[C@H](NC(=O)[C@@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| CHEMBL5431828 | 388489 | 0 | None | None | None | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 1509 | 48 | 24 | 22 | -6.1 | CSCC[C@H](NC(=O)[C@@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| 155521886 | 335171 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 2629 | 95 | 36 | 39 | -9.9 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCNC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(N)=O | 10.1016/j.bmc.2016.08.062 | |||
| CHEMBL4450987 | 335171 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 2629 | 95 | 36 | 39 | -9.9 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCNC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(N)=O | 10.1016/j.bmc.2016.08.062 | |||
| 57345320 | 8342 | 12 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/acsmedchemlett.8b00441 | |||
| 9882 | 8342 | 12 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/acsmedchemlett.8b00441 | |||
| CHEMBL3091687 | 8342 | 12 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/acsmedchemlett.8b00441 | |||
| CHEMBL373155 | 487491 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 658 | 8 | 7 | 7 | -0.2 | C[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C | 10.1021/jm050009h | |||
| 171358808 | 386991 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 2876 | 99 | 48 | 42 | -16.4 | CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N(CCCCCC(=O)O)[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](C(N)=O)[C@@H](C)O)[C@@H](C)O | 10.1016/j.ejmech.2022.114797 | |||
| CHEMBL5290756 | 386991 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 2876 | 99 | 48 | 42 | -16.4 | CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N(CCCCCC(=O)O)[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](C(N)=O)[C@@H](C)O)[C@@H](C)O | 10.1016/j.ejmech.2022.114797 | |||
| 76309931 | 213553 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 435 | 8 | 2 | 4 | 3.5 | CN(C)C(=O)NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 | 10.1021/ml400183q | |||
| CHEMBL3091686 | 213553 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 435 | 8 | 2 | 4 | 3.5 | CN(C)C(=O)NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 | 10.1021/ml400183q | |||
| CHEMBL424826 | 488446 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 670 | 8 | 8 | 7 | 0.2 | N=C(N)NCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm050009h | |||
| 172451431 | 388006 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1457 | 46 | 23 | 19 | -3.7 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| 172461827 | 388006 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1457 | 46 | 23 | 19 | -3.7 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| CHEMBL5408315 | 388006 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1457 | 46 | 23 | 19 | -3.7 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| CHEMBL5431168 | 388006 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1457 | 46 | 23 | 19 | -3.7 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| 171346021 | 386249 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 2845 | 99 | 46 | 38 | -12.7 | CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N(CCCCCC(=O)O)[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1016/j.ejmech.2022.114797 | |||
| 171353824 | 386249 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 2845 | 99 | 46 | 38 | -12.7 | CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N(CCCCCC(=O)O)[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1016/j.ejmech.2022.114797 | |||
| CHEMBL5273020 | 386249 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 2845 | 99 | 46 | 38 | -12.7 | CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N(CCCCCC(=O)O)[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1016/j.ejmech.2022.114797 | |||
| CHEMBL5281510 | 386249 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 2845 | 99 | 46 | 38 | -12.7 | CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N(CCCCCC(=O)O)[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1016/j.ejmech.2022.114797 | |||
| 25147749 | 4280 | 21 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 5.4 | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 | 10.1021/acsmedchemlett.8b00441 | |||
| 2899 | 4280 | 21 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 5.4 | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 | 10.1021/acsmedchemlett.8b00441 | |||
| CHEMBL460491 | 4280 | 21 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 5.4 | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 | 10.1021/acsmedchemlett.8b00441 | |||
| 172466054 | 389113 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 1511 | 49 | 23 | 22 | -4.6 | CSCC[C@H](NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| 172470447 | 389113 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 1511 | 49 | 23 | 22 | -4.6 | CSCC[C@H](NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| CHEMBL5432389 | 389113 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 1511 | 49 | 23 | 22 | -4.6 | CSCC[C@H](NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| CHEMBL5439158 | 389113 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 1511 | 49 | 23 | 22 | -4.6 | CSCC[C@H](NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| 172440437 | 387517 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 1517 | 48 | 23 | 20 | -3.8 | CSCC[C@@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| 172441538 | 387517 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 1517 | 48 | 23 | 20 | -3.8 | CSCC[C@@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| CHEMBL5397712 | 387517 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 1517 | 48 | 23 | 20 | -3.8 | CSCC[C@@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| CHEMBL5398141 | 387517 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 1517 | 48 | 23 | 20 | -3.8 | CSCC[C@@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| 477106 | 43229 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 514 | 4 | 4 | 8 | 1.9 | c1cc2nc(c1)CNCCN(Cc1ccc(CN3CCNCc4cccc(n4)CNCC3)cc1)CCNC2 | 10.1021/jm990211i | |||
| CHEMBL129183 | 43229 | 0 | None | None | None | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 514 | 4 | 4 | 8 | 1.9 | c1cc2nc(c1)CNCCN(Cc1ccc(CN3CCNCc4cccc(n4)CNCC3)cc1)CCNC2 | 10.1021/jm990211i | |||
| 134150065 | 298290 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 2985 | 83 | 45 | 42 | -8.2 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| CHEMBL3963915 | 298290 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 2985 | 83 | 45 | 42 | -8.2 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| 4410 | 6381 | 68 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2019.03.056 | |||
| 65015 | 6381 | 68 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2019.03.056 | |||
| 844 | 6381 | 68 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2019.03.056 | |||
| CHEMBL18442 | 6381 | 68 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2019.03.056 | |||
| DB06809 | 6381 | 68 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2019.03.056 | |||
| CHEMBL3627930 | 477951 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 3679 | 63 | 29 | 41 | -3.1 | CC(=O)N[C@@H](CCCCNC(=O)CSC[C@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CS[C@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O)C(N)=O | 10.1016/j.bmc.2015.09.040 | |||
| 50942118 | 119702 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 373 | 5 | 2 | 5 | 4.1 | NCc1cocc1N(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21 | 10.1016/j.bmcl.2010.11.023 | |||
| CHEMBL1644082 | 119702 | 0 | None | None | None | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 373 | 5 | 2 | 5 | 4.1 | NCc1cocc1N(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21 | 10.1016/j.bmcl.2010.11.023 | |||
| 76313651 | 213546 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 364 | 7 | 2 | 4 | 3.4 | NCCCCN(C[C@H]1NCCc2ccccc21)[C@H]1CCCc2cccnc21 | 10.1021/ml400183q | |||
| CHEMBL3091676 | 213546 | 0 | None | None | None | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 364 | 7 | 2 | 4 | 3.4 | NCCCCN(C[C@H]1NCCc2ccccc21)[C@H]1CCCc2cccnc21 | 10.1021/ml400183q | |||
| 172455736 | 388488 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 1167 | 37 | 18 | 14 | -2.3 | CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(N)=O | 10.1021/acs.jmedchem.3c01128 | |||
| CHEMBL5417672 | 388488 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 1167 | 37 | 18 | 14 | -2.3 | CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(N)=O | 10.1021/acs.jmedchem.3c01128 | |||
| 137642595 | 314383 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 498 | 15 | 5 | 10 | 2.7 | CCc1cc(NC2CCNCC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 | 10.1021/acs.jmedchem.7b01322 | |||
| CHEMBL4091201 | 314383 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 498 | 15 | 5 | 10 | 2.7 | CCc1cc(NC2CCNCC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 | 10.1021/acs.jmedchem.7b01322 | |||
| CHEMBL3581269 | 487168 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 757 | 12 | 11 | 8 | -0.3 | C[C@@H]1C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N1C | 10.1021/acs.jmedchem.5b00216 | |||
| 155554948 | 348399 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 2312 | 70 | 35 | 32 | -9.5 | CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C | 10.1016/j.bmc.2016.08.062 | |||
| CHEMBL4551153 | 348399 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 2312 | 70 | 35 | 32 | -9.5 | CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C | 10.1016/j.bmc.2016.08.062 | |||
| 4410 | 6381 | 68 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1128/aac.01727-08 | |||
| 65015 | 6381 | 68 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1128/aac.01727-08 | |||
| 844 | 6381 | 68 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1128/aac.01727-08 | |||
| CHEMBL18442 | 6381 | 68 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1128/aac.01727-08 | |||
| DB06809 | 6381 | 68 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1128/aac.01727-08 | |||
| 44418878 | 164738 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 743 | 12 | 12 | 8 | -0.7 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CCCNC(=N)N)NC1=O | 10.1021/jm0607350 | |||
| 44418885 | 164738 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 743 | 12 | 12 | 8 | -0.7 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CCCNC(=N)N)NC1=O | 10.1021/jm0607350 | |||
| CHEMBL219135 | 164738 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 743 | 12 | 12 | 8 | -0.7 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CCCNC(=N)N)NC1=O | 10.1021/jm0607350 | |||
| CHEMBL375991 | 164738 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 743 | 12 | 12 | 8 | -0.7 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CCCNC(=N)N)NC1=O | 10.1021/jm0607350 | |||
| 11638842 | 408152 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 349 | 6 | 1 | 5 | 3.3 | CN(Cc1nc2ccccc2n1CCCN)C1CCCc2cccnc21 | 10.1016/j.bmcl.2010.02.053 | |||
| CHEMBL577268 | 408152 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 349 | 6 | 1 | 5 | 3.3 | CN(Cc1nc2ccccc2n1CCCN)C1CCCc2cccnc21 | 10.1016/j.bmcl.2010.02.053 | |||
| 137649371 | 313307 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 526 | 16 | 4 | 10 | 3.6 | CCCN1CCC(Nc2cc(C)nc(NCc3cn(CCCNCCCNC4CCCCC4)nn3)n2)CC1 | 10.1021/acs.jmedchem.7b01322 | |||
| CHEMBL4078499 | 313307 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 526 | 16 | 4 | 10 | 3.6 | CCCN1CCC(Nc2cc(C)nc(NCc3cn(CCCNCCCNC4CCCCC4)nn3)n2)CC1 | 10.1021/acs.jmedchem.7b01322 | |||
| 12004385 | 392877 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 308 | 11 | 4 | 6 | 1.2 | C(CCCCCNC1=NCCN1)CCCCNC1=NCCN1 | 10.1016/j.ejmech.2024.116594 | |||
| CHEMBL5614304 | 392877 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 308 | 11 | 4 | 6 | 1.2 | C(CCCCCNC1=NCCN1)CCCCNC1=NCCN1 | 10.1016/j.ejmech.2024.116594 | |||
| 137646518 | 313713 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 500 | 15 | 5 | 11 | 2.1 | COc1cc(NC2CCNCC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 | 10.1021/acs.jmedchem.7b01322 | |||
| CHEMBL4083415 | 313713 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 500 | 15 | 5 | 11 | 2.1 | COc1cc(NC2CCNCC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 | 10.1021/acs.jmedchem.7b01322 | |||
| 155560189 | 348964 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 1449 | 47 | 24 | 20 | -6.7 | CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(N)=O | 10.1016/j.ejmech.2019.03.056 | |||
| CHEMBL4565225 | 348964 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 1449 | 47 | 24 | 20 | -6.7 | CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(N)=O | 10.1016/j.ejmech.2019.03.056 | |||
| 172451431 | 388006 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 1457 | 46 | 23 | 19 | -3.7 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| 172461827 | 388006 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 1457 | 46 | 23 | 19 | -3.7 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| CHEMBL5408315 | 388006 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 1457 | 46 | 23 | 19 | -3.7 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| CHEMBL5431168 | 388006 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 1457 | 46 | 23 | 19 | -3.7 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| 171358294 | 386996 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 457 | 15 | 4 | 5 | 4.6 | CN(C)c1cc(CNCCCNC2CCCCC2)ccc1CNCCCNC1CCCCC1 | 10.1016/j.ejmech.2020.112410 | |||
| CHEMBL5290852 | 386996 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 457 | 15 | 4 | 5 | 4.6 | CN(C)c1cc(CNCCCNC2CCCCC2)ccc1CNCCCNC1CCCCC1 | 10.1016/j.ejmech.2020.112410 | |||
| 177379331 | 392781 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 974 | 20 | 16 | 12 | -3.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CNC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116669 | |||
| CHEMBL5613155 | 392781 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 974 | 20 | 16 | 12 | -3.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CNC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116669 | |||
| 134135404 | 290691 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 3244 | 83 | 51 | 43 | -8.1 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc2cc3ccccc3cc2c1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| CHEMBL3902240 | 290691 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 3244 | 83 | 51 | 43 | -8.1 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc2cc3ccccc3cc2c1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| 11176403 | 4278 | 1 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 378 | 4 | 1 | 5 | 4.6 | C1CCC(CC1)N/C(=N/C1CCCCC1)/SCc1csc2=NCCn12 | 10.1021/jm801065q | |||
| 2900 | 4278 | 1 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 378 | 4 | 1 | 5 | 4.6 | C1CCC(CC1)N/C(=N/C1CCCCC1)/SCc1csc2=NCCn12 | 10.1021/jm801065q | |||
| CHEMBL452864 | 4278 | 1 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 378 | 4 | 1 | 5 | 4.6 | C1CCC(CC1)N/C(=N/C1CCCCC1)/SCc1csc2=NCCn12 | 10.1021/jm801065q | |||
| 171349768 | 386027 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 2876 | 99 | 48 | 42 | -16.4 | CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N(CCCCCC(=O)O)[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@H](C)O)[C@H](C)O | 10.1016/j.ejmech.2022.114797 | |||
| CHEMBL5267316 | 386027 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 2876 | 99 | 48 | 42 | -16.4 | CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N(CCCCCC(=O)O)[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@H](C)O)[C@H](C)O | 10.1016/j.ejmech.2022.114797 | |||
| 44561487 | 373651 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 534 | 9 | 6 | 5 | 4.8 | N=C(N)NCCCn1c(C(=O)Nc2cccc3ccccc23)cc2cc(NC(=O)Cc3ccc(O)cc3)ccc21 | 10.1016/j.bmcl.2008.05.092 | |||
| CHEMBL518004 | 373651 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 534 | 9 | 6 | 5 | 4.8 | N=C(N)NCCCn1c(C(=O)Nc2cccc3ccccc23)cc2cc(NC(=O)Cc3ccc(O)cc3)ccc21 | 10.1016/j.bmcl.2008.05.092 | |||
| CHEMBL371993 | 487488 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 658 | 8 | 7 | 7 | -0.2 | C[C@@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C | 10.1021/jm050009h | |||
| 172447516 | 388265 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 1475 | 47 | 23 | 20 | -4.0 | CSCC[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| 172464691 | 388265 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 1475 | 47 | 23 | 20 | -4.0 | CSCC[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| 172467966 | 388265 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 1475 | 47 | 23 | 20 | -4.0 | CSCC[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| CHEMBL5413479 | 388265 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 1475 | 47 | 23 | 20 | -4.0 | CSCC[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| CHEMBL5432339 | 388265 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 1475 | 47 | 23 | 20 | -4.0 | CSCC[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| CHEMBL5436512 | 388265 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 1475 | 47 | 23 | 20 | -4.0 | CSCC[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| 57345320 | 8342 | 12 | None | None | None | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/ml400183q | |||
| 9882 | 8342 | 12 | None | None | None | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/ml400183q | |||
| CHEMBL3091687 | 8342 | 12 | None | None | None | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/ml400183q | |||
| 118724116 | 235322 | 0 | None | None | None | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 2106 | 48 | 36 | 27 | -7.2 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)C(CCCNC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(CCCNC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1021/jm401823z | |||
| CHEMBL3360194 | 235322 | 0 | None | None | None | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 2106 | 48 | 36 | 27 | -7.2 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)C(CCCNC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(CCCNC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1021/jm401823z | |||
| 135314141 | 312647 | 0 | None | None | None | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 460 | 9 | 2 | 5 | 4.0 | C(=C/CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21)\CNCC1CCOCC1 | 10.1021/acs.jmedchem.7b01420 | |||
| CHEMBL4070320 | 312647 | 0 | None | None | None | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 460 | 9 | 2 | 5 | 4.0 | C(=C/CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21)\CNCC1CCOCC1 | 10.1021/acs.jmedchem.7b01420 | |||
| 72535523 | 308680 | 0 | None | None | None | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 437 | 8 | 1 | 5 | 4.8 | C#CCn1c2ccccc2c2ccnc(CN(CCCCN)C3CCCc4cccnc43)c21 | nan | |||
| CHEMBL3986210 | 308680 | 0 | None | None | None | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 437 | 8 | 1 | 5 | 4.8 | C#CCn1c2ccccc2c2ccnc(CN(CCCCN)C3CCCc4cccnc43)c21 | nan | |||
| 68791630 | 292893 | 0 | None | None | None | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 526 | 9 | 1 | 7 | 4.1 | NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCOCC3)c12)C1CCCc2cccnc21 | nan | |||
| CHEMBL3919988 | 292893 | 0 | None | None | None | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 526 | 9 | 1 | 7 | 4.1 | NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCOCC3)c12)C1CCCc2cccnc21 | nan | |||
| CHEMBL2012524 | 477502 | 0 | None | None | None | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 3024 | 80 | 49 | 42 | -9.4 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)C1)C(=O)O | 10.1021/ml200084n | |||
| 171061363 | 391347 | 0 | None | None | None | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 346 | 4 | 1 | 4 | 3.0 | O=C(NC1CCN(Cc2cccnc2)CC1)c1cnc2ccccc2c1 | 10.1021/acs.jmedchem.4c00184 | |||
| CHEMBL5567266 | 391347 | 0 | None | None | None | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 346 | 4 | 1 | 4 | 3.0 | O=C(NC1CCN(Cc2cccnc2)CC1)c1cnc2ccccc2c1 | 10.1021/acs.jmedchem.4c00184 | |||
| 155548895 | 348287 | 0 | None | None | None | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 577 | 9 | 3 | 7 | 4.7 | c1ccc(CN(Cc2ccc(-c3ccccc3CN3CCCNCCNCCCNCC3)cc2)Cc2ccccn2)nc1 | 10.1016/j.bmc.2019.02.013 | |||
| CHEMBL4548792 | 348287 | 0 | None | None | None | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 577 | 9 | 3 | 7 | 4.7 | c1ccc(CN(Cc2ccc(-c3ccccc3CN3CCCNCCNCCCNCC3)cc2)Cc2ccccn2)nc1 | 10.1016/j.bmc.2019.02.013 | |||
| 77955572 | 289818 | 0 | None | None | None | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 511 | 10 | 2 | 7 | 4.1 | NCCCCN(Cc1nccc2c3ccccc3n(CCN3CCNCC3)c12)C1CCCc2cccnc21 | nan | |||
| CHEMBL3954720 | 289818 | 0 | None | None | None | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 511 | 10 | 2 | 7 | 4.1 | NCCCCN(Cc1nccc2c3ccccc3n(CCN3CCNCC3)c12)C1CCCc2cccnc21 | nan | |||
| 155548895 | 348287 | 0 | None | None | None | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 577 | 9 | 3 | 7 | 4.7 | c1ccc(CN(Cc2ccc(-c3ccccc3CN3CCCNCCNCCCNCC3)cc2)Cc2ccccn2)nc1 | 10.1016/j.ejmech.2024.116594 | |||
| CHEMBL4548792 | 348287 | 0 | None | None | None | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 577 | 9 | 3 | 7 | 4.7 | c1ccc(CN(Cc2ccc(-c3ccccc3CN3CCCNCCNCCCNCC3)cc2)Cc2ccccn2)nc1 | 10.1016/j.ejmech.2024.116594 | |||
| 72535462 | 308646 | 0 | None | None | None | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 456 | 9 | 2 | 6 | 3.7 | NCCCCN(Cc1nccc2c3ccccc3n(CC(N)=O)c12)C1CCCc2cccnc21 | nan | |||
| CHEMBL3981053 | 308646 | 0 | None | None | None | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 456 | 9 | 2 | 6 | 3.7 | NCCCCN(Cc1nccc2c3ccccc3n(CC(N)=O)c12)C1CCCc2cccnc21 | nan | |||
| 25147749 | 4280 | 21 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 5.4 | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 | 10.1016/j.ejmech.2018.10.060 | |||
| 2899 | 4280 | 21 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 5.4 | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 | 10.1016/j.ejmech.2018.10.060 | |||
| CHEMBL460491 | 4280 | 21 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 5.4 | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 | 10.1016/j.ejmech.2018.10.060 | |||
| 70696255 | 156225 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 726 | 12 | 11 | 7 | 1.0 | C/C1=C\[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@@H]1Cc1ccc(O)cc1 | 10.1021/jm2016914 | |||
| CHEMBL2029609 | 156225 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 726 | 12 | 11 | 7 | 1.0 | C/C1=C\[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@@H]1Cc1ccc(O)cc1 | 10.1021/jm2016914 | |||
| 172034824 | 333796 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 1992 | 47 | 30 | 26 | -6.5 | C[C@H]1/C=C\[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)C(CCCNC(N)=O)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1016/s0960-894x(02)00041-0 | |||
| CHEMBL440638 | 333796 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 1992 | 47 | 30 | 26 | -6.5 | C[C@H]1/C=C\[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)C(CCCNC(N)=O)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1016/s0960-894x(02)00041-0 | |||
| 172049850 | 333833 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 1981 | 47 | 31 | 26 | -7.2 | C[C@H]1/C=C\[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)C(CCCNC(N)=O)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1016/s0960-894x(02)00041-0 | |||
| CHEMBL440998 | 333833 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 1981 | 47 | 31 | 26 | -7.2 | C[C@H]1/C=C\[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)C(CCCNC(N)=O)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1016/s0960-894x(02)00041-0 | |||
| 10146 | 2618 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 404 | 7 | 1 | 2 | 6.0 | Clc1ccccc1CN1CCC(CC1)CNCc1cccc(c1)c1ccccc1 | 10.1016/j.ejmech.2018.10.060 | |||
| 137321154 | 2618 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 404 | 7 | 1 | 2 | 6.0 | Clc1ccccc1CN1CCC(CC1)CNCc1cccc(c1)c1ccccc1 | 10.1016/j.ejmech.2018.10.060 | |||
| CHEMBL4596188 | 2618 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 404 | 7 | 1 | 2 | 6.0 | Clc1ccccc1CN1CCC(CC1)CNCc1cccc(c1)c1ccccc1 | 10.1016/j.ejmech.2018.10.060 | |||
| 155513323 | 350223 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 378 | 6 | 1 | 2 | 5.5 | Clc1ccccc1CN1CCC(CNCc2ccc3ccccc3c2)CC1 | 10.1016/j.ejmech.2018.10.060 | |||
| CHEMBL4594891 | 350223 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 378 | 6 | 1 | 2 | 5.5 | Clc1ccccc1CN1CCC(CNCc2ccc3ccccc3c2)CC1 | 10.1016/j.ejmech.2018.10.060 | |||
| 155542313 | 347235 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 2223 | 71 | 34 | 31 | -9.1 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCC[C@@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(N)=O | 10.1016/j.bmc.2016.08.062 | |||
| CHEMBL4520732 | 347235 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 2223 | 71 | 34 | 31 | -9.1 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCC[C@@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(N)=O | 10.1016/j.bmc.2016.08.062 | |||
| 138501642 | 356135 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 406 | 6 | 0 | 6 | 3.2 | Cc1nc(CN(CC2CC2)C2CCCc3cccnc32)cc(N2CCN(C)CC2)n1 | 10.1016/j.ejmech.2019.111914 | |||
| CHEMBL4784173 | 356135 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 406 | 6 | 0 | 6 | 3.2 | Cc1nc(CN(CC2CC2)C2CCCc3cccnc32)cc(N2CCN(C)CC2)n1 | 10.1016/j.ejmech.2019.111914 | |||
| 4410 | 6381 | 68 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2019.03.056 | |||
| 65015 | 6381 | 68 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2019.03.056 | |||
| 844 | 6381 | 68 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2019.03.056 | |||
| CHEMBL18442 | 6381 | 68 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2019.03.056 | |||
| DB06809 | 6381 | 68 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2019.03.056 | |||
| 178303491 | 466845 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 974 | 18 | 16 | 12 | -3.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CCC(=O)NC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116911 | |||
| 178304294 | 466845 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 974 | 18 | 16 | 12 | -3.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CCC(=O)NC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116911 | |||
| CHEMBL6162415 | 466845 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 974 | 18 | 16 | 12 | -3.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CCC(=O)NC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116911 | |||
| CHEMBL6170849 | 466845 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 974 | 18 | 16 | 12 | -3.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CCC(=O)NC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116911 | |||
| 71589203 | 179067 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 674 | 17 | 10 | 4 | 6.5 | N=C(NCCCN(CCCCN(CCCNC(=N)Nc1ccccc1)C(=N)Nc1ccccc1)C(=N)Nc1ccccc1)Nc1ccccc1 | 10.1016/j.bmcl.2013.01.107 | |||
| CHEMBL2347625 | 179067 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 674 | 17 | 10 | 4 | 6.5 | N=C(NCCCN(CCCCN(CCCNC(=N)Nc1ccccc1)C(=N)Nc1ccccc1)C(=N)Nc1ccccc1)Nc1ccccc1 | 10.1016/j.bmcl.2013.01.107 | |||
| CHEMBL3901189 | 487746 | 4 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 899 | 17 | 14 | 12 | -2.3 | C[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/acs.jmedchem.6b00695 | |||
| CHEMBL3923282 | 487760 | 2 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 941 | 18 | 14 | 12 | -2.1 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/acs.jmedchem.6b00695 | |||
| CHEMBL3901189 | 487746 | 4 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 899 | 17 | 14 | 12 | -2.3 | C[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/acs.jmedchem.7b01062 | |||
| 5278945 | 140571 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 807 | 14 | 11 | 10 | -0.3 | N=C(N)NCCC(=O)N[C@H]1CSSC[C@H](C(=O)NCCc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC1=O | 10.1021/jm050009h | |||
| CHEMBL191639 | 140571 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 807 | 14 | 11 | 10 | -0.3 | N=C(N)NCCC(=O)N[C@H]1CSSC[C@H](C(=O)NCCc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC1=O | 10.1021/jm050009h | |||
| 155560189 | 348964 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 1449 | 47 | 24 | 20 | -6.7 | CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(N)=O | 10.1016/j.ejmech.2022.114797 | |||
| CHEMBL4565225 | 348964 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 1449 | 47 | 24 | 20 | -6.7 | CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(N)=O | 10.1016/j.ejmech.2022.114797 | |||
| 134816893 | 332286 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 352 | 4 | 0 | 6 | 2.1 | CN1CCN(c2cc(CN(C)C3CCCc4cccnc43)ncn2)CC1 | 10.1016/j.ejmech.2018.02.042 | |||
| CHEMBL4299893 | 332286 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 352 | 4 | 0 | 6 | 2.1 | CN1CCN(c2cc(CN(C)C3CCCc4cccnc43)ncn2)CC1 | 10.1016/j.ejmech.2018.02.042 | |||
| 44400298 | 252969 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 700 | 12 | 10 | 7 | 0.4 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H](CCCN=C(N)N)NC1=O | 10.1021/jm050009h | |||
| CHEMBL364295 | 252969 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 700 | 12 | 10 | 7 | 0.4 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H](CCCN=C(N)N)NC1=O | 10.1021/jm050009h | |||
| 172447516 | 388265 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 1475 | 47 | 23 | 20 | -4.0 | CSCC[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| 172464691 | 388265 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 1475 | 47 | 23 | 20 | -4.0 | CSCC[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| 172467966 | 388265 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 1475 | 47 | 23 | 20 | -4.0 | CSCC[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| CHEMBL5413479 | 388265 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 1475 | 47 | 23 | 20 | -4.0 | CSCC[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| CHEMBL5432339 | 388265 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 1475 | 47 | 23 | 20 | -4.0 | CSCC[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| CHEMBL5436512 | 388265 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 1475 | 47 | 23 | 20 | -4.0 | CSCC[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| CHEMBL3959529 | 487794 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 2968 | 77 | 50 | 41 | -10.7 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| 11176403 | 4278 | 1 | None | None | None | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 378 | 4 | 1 | 5 | 4.6 | C1CCC(CC1)N/C(=N/C1CCCCC1)/SCc1csc2=NCCn12 | 10.1021/jm801065q | |||
| 2900 | 4278 | 1 | None | None | None | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 378 | 4 | 1 | 5 | 4.6 | C1CCC(CC1)N/C(=N/C1CCCCC1)/SCc1csc2=NCCn12 | 10.1021/jm801065q | |||
| CHEMBL452864 | 4278 | 1 | None | None | None | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 378 | 4 | 1 | 5 | 4.6 | C1CCC(CC1)N/C(=N/C1CCCCC1)/SCc1csc2=NCCn12 | 10.1021/jm801065q | |||
| CHEMBL3924163 | 487762 | 0 | None | None | None | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 3068 | 81 | 51 | 43 | -11.6 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| 4410 | 6381 | 68 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2020.112537 | |||
| 65015 | 6381 | 68 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2020.112537 | |||
| 844 | 6381 | 68 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2020.112537 | |||
| CHEMBL18442 | 6381 | 68 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2020.112537 | |||
| DB06809 | 6381 | 68 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.ejmech.2020.112537 | |||
| 178310693 | 465809 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 738 | 9 | 5 | 9 | 7.6 | O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccc(NC(=S)NCCCCN(Cc3nc4ccccc4[nH]3)C3CCCc4cccnc43)cc21 | 10.1016/j.bmcl.2024.130027 | |||
| CHEMBL6102016 | 465809 | 0 | None | None | None | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 738 | 9 | 5 | 9 | 7.6 | O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccc(NC(=S)NCCCCN(Cc3nc4ccccc4[nH]3)C3CCCc4cccnc43)cc21 | 10.1016/j.bmcl.2024.130027 | |||
| CHEMBL426169 | 488465 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 743 | 12 | 11 | 8 | -0.7 | CN1C(=O)CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1Cc1ccc2ccccc2c1 | 10.1021/jm0607350 | |||
| 10126019 | 18479 | 18 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 349 | 7 | 2 | 4 | 3.6 | NCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 | 10.1016/j.bmcl.2024.130027 | |||
| CHEMBL1088913 | 18479 | 18 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 349 | 7 | 2 | 4 | 3.6 | NCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 | 10.1016/j.bmcl.2024.130027 | |||
| 477101 | 27183 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 638 | 4 | 4 | 8 | 4.7 | Clc1cc2nc(c1)CNCCCN(Cc1ccc(CN3CCCNCc4cc(Cl)cc(n4)CNCCC3)cc1)CCCNC2 | 10.1021/jm990211i | |||
| CHEMBL1189096 | 27183 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 638 | 4 | 4 | 8 | 4.7 | Clc1cc2nc(c1)CNCCCN(Cc1ccc(CN3CCCNCc4cc(Cl)cc(n4)CNCCC3)cc1)CCCNC2 | 10.1021/jm990211i | |||
| 11176403 | 4278 | 1 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 378 | 4 | 1 | 5 | 4.6 | C1CCC(CC1)N/C(=N/C1CCCCC1)/SCc1csc2=NCCn12 | 10.1021/jm801065q | |||
| 2900 | 4278 | 1 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 378 | 4 | 1 | 5 | 4.6 | C1CCC(CC1)N/C(=N/C1CCCCC1)/SCc1csc2=NCCn12 | 10.1021/jm801065q | |||
| CHEMBL452864 | 4278 | 1 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 378 | 4 | 1 | 5 | 4.6 | C1CCC(CC1)N/C(=N/C1CCCCC1)/SCc1csc2=NCCn12 | 10.1021/jm801065q | |||
| 138501448 | 366358 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 381 | 5 | 1 | 7 | 2.2 | CNc1nc(CN(C)C2CCCc3cccnc32)cc(N2CCN(C)CC2)n1 | 10.1016/j.ejmech.2019.111914 | |||
| CHEMBL4793397 | 366358 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 381 | 5 | 1 | 7 | 2.2 | CNc1nc(CN(C)C2CCCc3cccnc32)cc(N2CCN(C)CC2)n1 | 10.1016/j.ejmech.2019.111914 | |||
| CHEMBL3903301 | 487749 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 3248 | 85 | 51 | 44 | -9.2 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(C(=O)c2ccccc2)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| CHEMBL3952526 | 487786 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 898 | 17 | 14 | 12 | -2.9 | C[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/acs.jmedchem.6b00695 | |||
| CHEMBL3981298 | 487820 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 941 | 18 | 14 | 12 | -2.1 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CSSC[C@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/acs.jmedchem.6b00695 | |||
| 56648410 | 142858 | 0 | None | None | None | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1599 | 31 | 20 | 18 | -2.2 | CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CNC(=O)CCC(=O)NCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C | 10.1021/jm2009716 | |||
| 91930558 | 142858 | 0 | None | None | None | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1599 | 31 | 20 | 18 | -2.2 | CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CNC(=O)CCC(=O)NCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C | 10.1021/jm2009716 | |||
| CHEMBL1949885 | 142858 | 0 | None | None | None | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1599 | 31 | 20 | 18 | -2.2 | CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CNC(=O)CCC(=O)NCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C | 10.1021/jm2009716 | |||
| CHEMBL1949731 | 485001 | 0 | None | None | None | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 701 | 11 | 9 | 8 | -0.3 | CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN | 10.1021/jm2009716 | |||
| 4410 | 6381 | 68 | None | None | None | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/acs.jmedchem.6b00695 | |||
| 65015 | 6381 | 68 | None | None | None | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/acs.jmedchem.6b00695 | |||
| 844 | 6381 | 68 | None | None | None | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/acs.jmedchem.6b00695 | |||
| CHEMBL18442 | 6381 | 68 | None | None | None | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/acs.jmedchem.6b00695 | |||
| DB06809 | 6381 | 68 | None | None | None | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/acs.jmedchem.6b00695 | |||
| 137636951 | 312133 | 0 | None | None | None | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1019 | 18 | 14 | 12 | -0.2 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/acs.jmedchem.7b01062 | |||
| CHEMBL4064373 | 312133 | 0 | None | None | None | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1019 | 18 | 14 | 12 | -0.2 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/acs.jmedchem.7b01062 | |||
| 131801411 | 314193 | 1 | None | None | None | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1009 | 18 | 15 | 13 | -1.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/acs.jmedchem.7b01062 | |||
| 177379330 | 314193 | 1 | None | None | None | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1009 | 18 | 15 | 13 | -1.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/acs.jmedchem.7b01062 | |||
| 178323467 | 314193 | 1 | None | None | None | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1009 | 18 | 15 | 13 | -1.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/acs.jmedchem.7b01062 | |||
| CHEMBL4089168 | 314193 | 1 | None | None | None | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1009 | 18 | 15 | 13 | -1.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/acs.jmedchem.7b01062 | |||
| CHEMBL5612681 | 314193 | 1 | None | None | None | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1009 | 18 | 15 | 13 | -1.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/acs.jmedchem.7b01062 | |||
| CHEMBL6175379 | 314193 | 1 | None | None | None | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1009 | 18 | 15 | 13 | -1.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/acs.jmedchem.7b01062 | |||
| 172452619 | 388142 | 0 | None | None | None | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1045 | 16 | 3 | 12 | 9.7 | CN1/C(=C\C=C\C=C\C2=[N+](CCCCCC(=O)N[C@H]3CC[C@H](/N=C(/NC4CCCCC4)SCC4=CSC5=NC(C)(C)CN45)CC3)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21 | 10.1021/acs.jmedchem.3c00151 | |||
| CHEMBL5410929 | 388142 | 0 | None | None | None | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1045 | 16 | 3 | 12 | 9.7 | CN1/C(=C\C=C\C=C\C2=[N+](CCCCCC(=O)N[C@H]3CC[C@H](/N=C(/NC4CCCCC4)SCC4=CSC5=NC(C)(C)CN45)CC3)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21 | 10.1021/acs.jmedchem.3c00151 | |||
| CHEMBL3360195 | 486967 | 0 | None | None | None | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 2107 | 47 | 36 | 27 | -7.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1021/jm401823z | |||
| 72545830 | 213554 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 455 | 9 | 1 | 5 | 4.5 | NCCCCN(C[C@H]1Cc2ccccc2CN1Cc1ccccn1)[C@H]1CCCc2cccnc21 | 10.1021/ml400183q | |||
| CHEMBL3091688 | 213554 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 455 | 9 | 1 | 5 | 4.5 | NCCCCN(C[C@H]1Cc2ccccc2CN1Cc1ccccn1)[C@H]1CCCc2cccnc21 | 10.1021/ml400183q | |||
| 72546062 | 213556 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 455 | 9 | 1 | 5 | 4.5 | NCCCCN(C[C@H]1Cc2ccccc2CN1Cc1ccncc1)[C@H]1CCCc2cccnc21 | 10.1021/ml400183q | |||
| CHEMBL3091690 | 213556 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 455 | 9 | 1 | 5 | 4.5 | NCCCCN(C[C@H]1Cc2ccccc2CN1Cc1ccncc1)[C@H]1CCCc2cccnc21 | 10.1021/ml400183q | |||
| 56649213 | 142845 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 743 | 12 | 9 | 8 | -0.1 | CC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C | 10.1021/jm2009716 | |||
| CHEMBL1949732 | 142845 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 743 | 12 | 9 | 8 | -0.1 | CC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C | 10.1021/jm2009716 | |||
| 10485171 | 239985 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 743 | 12 | 12 | 8 | -0.7 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CCNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/acs.jmedchem.5b00216 | |||
| CHEMBL3581263 | 239985 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 743 | 12 | 12 | 8 | -0.7 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CCNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/acs.jmedchem.5b00216 | |||
| 171346021 | 386249 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 2845 | 99 | 46 | 38 | -12.7 | CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N(CCCCCC(=O)O)[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1016/j.ejmech.2022.114797 | |||
| 171353824 | 386249 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 2845 | 99 | 46 | 38 | -12.7 | CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N(CCCCCC(=O)O)[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1016/j.ejmech.2022.114797 | |||
| CHEMBL5273020 | 386249 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 2845 | 99 | 46 | 38 | -12.7 | CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N(CCCCCC(=O)O)[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1016/j.ejmech.2022.114797 | |||
| CHEMBL5281510 | 386249 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 2845 | 99 | 46 | 38 | -12.7 | CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N(CCCCCC(=O)O)[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1016/j.ejmech.2022.114797 | |||
| 137649245 | 313076 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 512 | 15 | 5 | 10 | 3.3 | CC(C)c1cc(NC2CCNCC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 | 10.1021/acs.jmedchem.7b01322 | |||
| CHEMBL4075454 | 313076 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 512 | 15 | 5 | 10 | 3.3 | CC(C)c1cc(NC2CCNCC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 | 10.1021/acs.jmedchem.7b01322 | |||
| CHEMBL366033 | 487364 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 702 | 11 | 10 | 8 | -0.5 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm050009h | |||
| 155544593 | 347435 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 1165 | 35 | 18 | 16 | -5.1 | CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(N)=O | 10.1016/j.ejmech.2019.03.056 | |||
| CHEMBL4526799 | 347435 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 1165 | 35 | 18 | 16 | -5.1 | CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(N)=O | 10.1016/j.ejmech.2019.03.056 | |||
| 71720811 | 179069 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 481 | 11 | 7 | 3 | 5.3 | N=C(NCCCCNCCCNC(=N)Nc1ccc2ccccc2c1)Nc1ccc2ccccc2c1 | 10.1016/j.bmcl.2013.01.107 | |||
| CHEMBL2347627 | 179069 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 481 | 11 | 7 | 3 | 5.3 | N=C(NCCCCNCCCNC(=N)Nc1ccc2ccccc2c1)Nc1ccc2ccccc2c1 | 10.1016/j.bmcl.2013.01.107 | |||
| CHEMBL2012528 | 477506 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 2618 | 67 | 40 | 36 | -6.9 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)C1)C(=O)O | 10.1021/ml200084n | |||
| 51346842 | 121226 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 338 | 7 | 1 | 4 | 3.7 | Cc1cnc(CN(CCCCN)[C@H]2CCCc3cccnc32)c(C)c1 | 10.1016/j.bmcl.2011.01.021 | |||
| CHEMBL1682995 | 121226 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 338 | 7 | 1 | 4 | 3.7 | Cc1cnc(CN(CCCCN)[C@H]2CCCc3cccnc32)c(C)c1 | 10.1016/j.bmcl.2011.01.021 | |||
| 138501606 | 355635 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 366 | 4 | 0 | 6 | 2.7 | Cc1nc(CN2CCCCC2c2ccccn2)cc(N2CCN(C)CC2)n1 | 10.1016/j.ejmech.2020.112537 | |||
| CHEMBL4777987 | 355635 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 366 | 4 | 0 | 6 | 2.7 | Cc1nc(CN2CCCCC2c2ccccn2)cc(N2CCN(C)CC2)n1 | 10.1016/j.ejmech.2020.112537 | |||
| CHEMBL3901189 | 487746 | 4 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 899 | 17 | 14 | 12 | -2.3 | C[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/acs.jmedchem.6b00695 | |||
| 4410 | 6381 | 68 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/acs.jmedchem.7b01062 | |||
| 65015 | 6381 | 68 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/acs.jmedchem.7b01062 | |||
| 844 | 6381 | 68 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/acs.jmedchem.7b01062 | |||
| CHEMBL18442 | 6381 | 68 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/acs.jmedchem.7b01062 | |||
| DB06809 | 6381 | 68 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/acs.jmedchem.7b01062 | |||
| CHEMBL1949730 | 485000 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 743 | 12 | 11 | 8 | -0.7 | CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=N)N | 10.1021/jm2016914 | |||
| CHEMBL191687 | 484982 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 644 | 8 | 9 | 7 | -0.3 | C[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/jm050009h | |||
| CHEMBL2180081 | 484982 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 644 | 8 | 9 | 7 | -0.3 | C[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/jm050009h | |||
| CHEMBL374108 | 487511 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 644 | 8 | 9 | 7 | -0.3 | C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CNC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O | 10.1021/jm0607350 | |||
| 145975500 | 328487 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 366 | 5 | 0 | 6 | 2.7 | CN(C)C1CCN(N(Cc2ccncn2)C2CCCc3cccnc32)CC1 | 10.1016/j.ejmech.2018.02.042 | |||
| CHEMBL4202510 | 328487 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 366 | 5 | 0 | 6 | 2.7 | CN(C)C1CCN(N(Cc2ccncn2)C2CCCc3cccnc32)CC1 | 10.1016/j.ejmech.2018.02.042 | |||
| 10146 | 2618 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 404 | 7 | 1 | 2 | 6.0 | Clc1ccccc1CN1CCC(CC1)CNCc1cccc(c1)c1ccccc1 | 10.1016/j.ejmech.2018.10.060 | |||
| 137321154 | 2618 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 404 | 7 | 1 | 2 | 6.0 | Clc1ccccc1CN1CCC(CC1)CNCc1cccc(c1)c1ccccc1 | 10.1016/j.ejmech.2018.10.060 | |||
| CHEMBL4596188 | 2618 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 404 | 7 | 1 | 2 | 6.0 | Clc1ccccc1CN1CCC(CC1)CNCc1cccc(c1)c1ccccc1 | 10.1016/j.ejmech.2018.10.060 | |||
| 155518071 | 334807 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 362 | 6 | 1 | 2 | 5.0 | Clc1ccc(CNCC2CCN(Cc3ccccc3Cl)CC2)cc1 | 10.1016/j.ejmech.2018.10.060 | |||
| CHEMBL4445831 | 334807 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 362 | 6 | 1 | 2 | 5.0 | Clc1ccc(CNCC2CCN(Cc3ccccc3Cl)CC2)cc1 | 10.1016/j.ejmech.2018.10.060 | |||
| 25147749 | 4280 | 21 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 5.4 | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 | 10.1021/acsmedchemlett.8b00441 | |||
| 2899 | 4280 | 21 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 5.4 | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 | 10.1021/acsmedchemlett.8b00441 | |||
| CHEMBL460491 | 4280 | 21 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 5.4 | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 | 10.1021/acsmedchemlett.8b00441 | |||
| 155534825 | 336528 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 2794 | 103 | 41 | 41 | -11.7 | CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](C)C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)NCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCNC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](C)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(N)=O | 10.1016/j.bmc.2016.08.062 | |||
| CHEMBL4471355 | 336528 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 2794 | 103 | 41 | 41 | -11.7 | CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](C)C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)NCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCNC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](C)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(N)=O | 10.1016/j.bmc.2016.08.062 | |||
| CHEMBL3974242 | 487808 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 3194 | 83 | 51 | 43 | -9.3 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| CHEMBL3923282 | 487760 | 2 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 941 | 18 | 14 | 12 | -2.1 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/acs.jmedchem.6b00695 | |||
| 145969178 | 329748 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 368 | 7 | 1 | 7 | 1.6 | c1cnc2c(c1)CCCC2N(Cc1ccncn1)NCCN1CCOCC1 | 10.1016/j.ejmech.2018.02.042 | |||
| CHEMBL4218715 | 329748 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 368 | 7 | 1 | 7 | 1.6 | c1cnc2c(c1)CCCC2N(Cc1ccncn1)NCCN1CCOCC1 | 10.1016/j.ejmech.2018.02.042 | |||
| CHEMBL373637 | 487504 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 783 | 12 | 11 | 8 | 0.2 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCCN2C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CCCNC(=N)N)NC1=O | 10.1021/jm0607350 | |||
| 4410 | 6381 | 68 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.bmc.2016.08.062 | |||
| 65015 | 6381 | 68 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.bmc.2016.08.062 | |||
| 844 | 6381 | 68 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.bmc.2016.08.062 | |||
| CHEMBL18442 | 6381 | 68 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.bmc.2016.08.062 | |||
| DB06809 | 6381 | 68 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1016/j.bmc.2016.08.062 | |||
| 138501638 | 353661 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 396 | 7 | 1 | 7 | 2.4 | Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(NCCN2CCOCC2)n1 | 10.1016/j.ejmech.2019.111914 | |||
| CHEMBL4744555 | 353661 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 396 | 7 | 1 | 7 | 2.4 | Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(NCCN2CCOCC2)n1 | 10.1016/j.ejmech.2019.111914 | |||
| 57345320 | 8342 | 12 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/acsmedchemlett.8b00441 | |||
| 9882 | 8342 | 12 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/acsmedchemlett.8b00441 | |||
| CHEMBL3091687 | 8342 | 12 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/acsmedchemlett.8b00441 | |||
| 56647829 | 142846 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 814 | 16 | 10 | 9 | -0.4 | CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CCCC(N)=O | 10.1021/jm2009716 | |||
| CHEMBL1949733 | 142846 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 814 | 16 | 10 | 9 | -0.4 | CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CCCC(N)=O | 10.1021/jm2009716 | |||
| 460326 | 233141 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | c1cc(CN2CCCNCCNCCNCCC2)ccc1CN1CCCNCCNCCNCCC1 | 10.1021/jm990211i | |||
| CHEMBL332798 | 233141 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | c1cc(CN2CCCNCCNCCNCCC2)ccc1CN1CCCNCCNCCNCCC1 | 10.1021/jm990211i | |||
| 171352452 | 386636 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 490 | 15 | 4 | 4 | 6.2 | c1cc(-c2ccc(CNCCCNC3CCCCC3)cc2)ccc1CNCCCNC1CCCCC1 | 10.1016/j.ejmech.2020.112410 | |||
| CHEMBL5282178 | 386636 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 490 | 15 | 4 | 4 | 6.2 | c1cc(-c2ccc(CNCCCNC3CCCCC3)cc2)ccc1CNCCCNC1CCCCC1 | 10.1016/j.ejmech.2020.112410 | |||
| 171345589 | 386708 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 443 | 15 | 5 | 5 | 4.5 | CNc1cc(CNCCCNC2CCCCC2)cc(CNCCCNC2CCCCC2)c1 | 10.1016/j.ejmech.2020.112410 | |||
| CHEMBL5283630 | 386708 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 443 | 15 | 5 | 5 | 4.5 | CNc1cc(CNCCCNC2CCCCC2)cc(CNCCCNC2CCCCC2)c1 | 10.1016/j.ejmech.2020.112410 | |||
| CHEMBL3931947 | 487767 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 3158 | 83 | 50 | 43 | -10.1 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| 66558669 | 157128 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 728 | 12 | 13 | 8 | -0.6 | N=C(N)NCCC[C@@H]1NC(=N)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/ml200047e | |||
| CHEMBL2042233 | 157128 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 728 | 12 | 13 | 8 | -0.6 | N=C(N)NCCC[C@@H]1NC(=N)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/ml200047e | |||
| 171357348 | 386449 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 429 | 14 | 5 | 5 | 4.1 | Nc1cc(CNCCCNC2CCCCC2)ccc1CNCCCNC1CCCCC1 | 10.1016/j.ejmech.2020.112410 | |||
| CHEMBL5277914 | 386449 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 429 | 14 | 5 | 5 | 4.1 | Nc1cc(CNCCCNC2CCCCC2)ccc1CNCCCNC1CCCCC1 | 10.1016/j.ejmech.2020.112410 | |||
| CHEMBL3978794 | 487814 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 3080 | 82 | 50 | 42 | -10.7 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| 172452619 | 388142 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 1045 | 16 | 3 | 12 | 9.7 | CN1/C(=C\C=C\C=C\C2=[N+](CCCCCC(=O)N[C@H]3CC[C@H](/N=C(/NC4CCCCC4)SCC4=CSC5=NC(C)(C)CN45)CC3)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21 | 10.1021/acs.jmedchem.3c00151 | |||
| CHEMBL5410929 | 388142 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 1045 | 16 | 3 | 12 | 9.7 | CN1/C(=C\C=C\C=C\C2=[N+](CCCCCC(=O)N[C@H]3CC[C@H](/N=C(/NC4CCCCC4)SCC4=CSC5=NC(C)(C)CN45)CC3)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21 | 10.1021/acs.jmedchem.3c00151 | |||
| 11411355 | 141584 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 687 | 11 | 11 | 9 | -1.7 | N=C(N)NCCC[C@H]1NC(=O)[C@H](NC(=O)CCNC(=N)N)CSSC[C@@H](C(N)=O)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm050009h | |||
| CHEMBL192913 | 141584 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 687 | 11 | 11 | 9 | -1.7 | N=C(N)NCCC[C@H]1NC(=O)[C@H](NC(=O)CCNC(=N)N)CSSC[C@@H](C(N)=O)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm050009h | |||
| 172049421 | 315170 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 1993 | 47 | 30 | 26 | -5.9 | C[C@H]1/C=C\[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)C(CCCNC(N)=O)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1016/s0960-894x(02)00041-0 | |||
| CHEMBL409991 | 315170 | 0 | None | None | None | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 1993 | 47 | 30 | 26 | -5.9 | C[C@H]1/C=C\[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)C(CCCNC(N)=O)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1016/s0960-894x(02)00041-0 | |||
| 162669065 | 366124 | 0 | None | None | None | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 750 | 19 | 5 | 11 | 2.5 | CNC(=O)COCC(=O)NCCCCNC(=O)COCC(=O)NC[C@H]1CC[C@H](/N=C(\NC2CCCCC2)SCC2=CSC3=NC(C)(C)CN23)CC1 | 10.1021/acsmedchemlett.0c00444 | |||
| CHEMBL4789939 | 366124 | 0 | None | None | None | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 750 | 19 | 5 | 11 | 2.5 | CNC(=O)COCC(=O)NCCCCNC(=O)COCC(=O)NC[C@H]1CC[C@H](/N=C(\NC2CCCCC2)SCC2=CSC3=NC(C)(C)CN23)CC1 | 10.1021/acsmedchemlett.0c00444 | |||
| 171356940 | 386464 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 428 | 13 | 4 | 4 | 4.1 | O=C(NCCCNC1CCCCC1)c1ccc(CNCCCNC2CCCCC2)cc1 | 10.1016/j.ejmech.2020.112410 | |||
| CHEMBL5278283 | 386464 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 428 | 13 | 4 | 4 | 4.1 | O=C(NCCCNC1CCCCC1)c1ccc(CNCCCNC2CCCCC2)cc1 | 10.1016/j.ejmech.2020.112410 | |||
| 4410 | 6381 | 68 | None | None | None | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/jm990211i | |||
| 65015 | 6381 | 68 | None | None | None | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/jm990211i | |||
| 844 | 6381 | 68 | None | None | None | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/jm990211i | |||
| CHEMBL18442 | 6381 | 68 | None | None | None | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/jm990211i | |||
| DB06809 | 6381 | 68 | None | None | None | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/jm990211i | |||
| 4410 | 6381 | 68 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/acs.jmedchem.4c00184 | |||
| 65015 | 6381 | 68 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/acs.jmedchem.4c00184 | |||
| 844 | 6381 | 68 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/acs.jmedchem.4c00184 | |||
| CHEMBL18442 | 6381 | 68 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/acs.jmedchem.4c00184 | |||
| DB06809 | 6381 | 68 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/acs.jmedchem.4c00184 | |||
| 72535437 | 291754 | 0 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 456 | 10 | 2 | 6 | 4.6 | NCCCCN(Cc1nccc2c3ccccc3n(CCCN)c12)C1CCCc2cccnc21 | nan | |||
| CHEMBL3911032 | 291754 | 0 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 456 | 10 | 2 | 6 | 4.6 | NCCCCN(Cc1nccc2c3ccccc3n(CCCN)c12)C1CCCc2cccnc21 | nan | |||
| 72535445 | 308609 | 0 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 512 | 10 | 1 | 7 | 4.5 | NCCCCN(Cc1nccc2c3ccccc3n(CCN3CCOCC3)c12)C1CCCc2cccnc21 | nan | |||
| CHEMBL3975192 | 308609 | 0 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 512 | 10 | 1 | 7 | 4.5 | NCCCCN(Cc1nccc2c3ccccc3n(CCN3CCOCC3)c12)C1CCCc2cccnc21 | nan | |||
| 178313614 | 466482 | 0 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 974 | 18 | 16 | 12 | -3.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116911 | |||
| 178323587 | 466482 | 0 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 974 | 18 | 16 | 12 | -3.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116911 | |||
| CHEMBL6146770 | 466482 | 0 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 974 | 18 | 16 | 12 | -3.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116911 | |||
| CHEMBL6174013 | 466482 | 0 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 974 | 18 | 16 | 12 | -3.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116911 | |||
| 155560382 | 349110 | 0 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 577 | 9 | 3 | 7 | 4.7 | c1ccc(CN(Cc2ccccn2)Cc2ccccc2-c2cccc(CN3CCCNCCNCCCNCC3)c2)nc1 | 10.1016/j.bmc.2019.02.013 | |||
| CHEMBL4568686 | 349110 | 0 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 577 | 9 | 3 | 7 | 4.7 | c1ccc(CN(Cc2ccccn2)Cc2ccccc2-c2cccc(CN3CCCNCCNCCCNCC3)c2)nc1 | 10.1016/j.bmc.2019.02.013 | |||
| 155560382 | 349110 | 0 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 577 | 9 | 3 | 7 | 4.7 | c1ccc(CN(Cc2ccccn2)Cc2ccccc2-c2cccc(CN3CCCNCCNCCCNCC3)c2)nc1 | 10.1016/j.ejmech.2024.116594 | |||
| CHEMBL4568686 | 349110 | 0 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 577 | 9 | 3 | 7 | 4.7 | c1ccc(CN(Cc2ccccn2)Cc2ccccc2-c2cccc(CN3CCCNCCNCCCNCC3)c2)nc1 | 10.1016/j.ejmech.2024.116594 | |||
| 138501794 | 354319 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 392 | 5 | 0 | 6 | 3.0 | Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2CCN(C3CC3)CC2)n1 | 10.1016/j.ejmech.2019.111914 | |||
| CHEMBL4752542 | 354319 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 392 | 5 | 0 | 6 | 3.0 | Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2CCN(C3CC3)CC2)n1 | 10.1016/j.ejmech.2019.111914 | |||
| 72546061 | 213555 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 455 | 9 | 1 | 5 | 4.5 | NCCCCN(C[C@H]1Cc2ccccc2CN1Cc1cccnc1)[C@H]1CCCc2cccnc21 | 10.1021/ml400183q | |||
| CHEMBL3091689 | 213555 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 455 | 9 | 1 | 5 | 4.5 | NCCCCN(C[C@H]1Cc2ccccc2CN1Cc1cccnc1)[C@H]1CCCc2cccnc21 | 10.1021/ml400183q | |||
| 137654477 | 314614 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 985 | 18 | 15 | 13 | -1.6 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/acs.jmedchem.7b01062 | |||
| CHEMBL4093767 | 314614 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 985 | 18 | 15 | 13 | -1.6 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/acs.jmedchem.7b01062 | |||
| 137643115 | 314284 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 598 | 20 | 5 | 11 | 3.8 | Cc1cc(NC2CCN(CCCCCC(=O)O)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 | 10.1021/acs.jmedchem.7b01322 | |||
| CHEMBL4090175 | 314284 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 598 | 20 | 5 | 11 | 3.8 | Cc1cc(NC2CCN(CCCCCC(=O)O)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 | 10.1021/acs.jmedchem.7b01322 | |||
| 177379165 | 392823 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 349 | 5 | 4 | 3 | 2.1 | N=C(N)NCC/C=C1\NC(=O)N(/C=C/c2cccc3ccccc23)C1=O | 10.1016/j.ejmech.2024.116594 | |||
| CHEMBL5613711 | 392823 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 349 | 5 | 4 | 3 | 2.1 | N=C(N)NCC/C=C1\NC(=O)N(/C=C/c2cccc3ccccc23)C1=O | 10.1016/j.ejmech.2024.116594 | |||
| 137662117 | 315164 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 504 | 14 | 5 | 10 | 2.8 | Clc1cc(NC2CCNCC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 | 10.1021/acs.jmedchem.7b01322 | |||
| CHEMBL4099856 | 315164 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 504 | 14 | 5 | 10 | 2.8 | Clc1cc(NC2CCNCC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 | 10.1021/acs.jmedchem.7b01322 | |||
| 118965366 | 315032 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 613 | 18 | 6 | 12 | 1.9 | Cc1cc(NC2CCN(C(=O)CC[C@H](N)C(=O)O)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 | 10.1021/acs.jmedchem.7b01322 | |||
| CHEMBL4098404 | 315032 | 0 | None | None | None | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 613 | 18 | 6 | 12 | 1.9 | Cc1cc(NC2CCN(C(=O)CC[C@H](N)C(=O)O)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 | 10.1021/acs.jmedchem.7b01322 | |||
| 178301726 | 466858 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 974 | 18 | 16 | 12 | -3.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CC(=O)NCC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116911 | |||
| 178304084 | 466858 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 974 | 18 | 16 | 12 | -3.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CC(=O)NCC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116911 | |||
| CHEMBL6162747 | 466858 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 974 | 18 | 16 | 12 | -3.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CC(=O)NCC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116911 | |||
| CHEMBL6163797 | 466858 | 0 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 974 | 18 | 16 | 12 | -3.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CC(=O)NCC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116911 | |||
| 25147749 | 4280 | 21 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 5.4 | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 | 10.1021/acsmedchemlett.8b00441 | |||
| 2899 | 4280 | 21 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 5.4 | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 | 10.1021/acsmedchemlett.8b00441 | |||
| CHEMBL460491 | 4280 | 21 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 5.4 | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 | 10.1021/acsmedchemlett.8b00441 | |||
| 137633110 | 312505 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 627 | 20 | 6 | 12 | 2.0 | CCc1cc(NC2CCN(C(=O)CCNCC(=O)O)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 | 10.1021/acs.jmedchem.7b01322 | |||
| CHEMBL4068647 | 312505 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 627 | 20 | 6 | 12 | 2.0 | CCc1cc(NC2CCN(C(=O)CCNCC(=O)O)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 | 10.1021/acs.jmedchem.7b01322 | |||
| 137658485 | 315411 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 537 | 16 | 4 | 11 | 3.1 | Cc1cc(NC2CCN(CCC#N)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 | 10.1021/acs.jmedchem.7b01322 | |||
| CHEMBL4102780 | 315411 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 537 | 16 | 4 | 11 | 3.1 | Cc1cc(NC2CCN(CCC#N)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 | 10.1021/acs.jmedchem.7b01322 | |||
| 137643051 | 314247 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 627 | 20 | 6 | 12 | 2.1 | Cc1cc(NC2CCN(C(=O)CCNCCC(=O)O)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 | 10.1021/acs.jmedchem.7b01322 | |||
| CHEMBL4089763 | 314247 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 627 | 20 | 6 | 12 | 2.1 | Cc1cc(NC2CCN(C(=O)CCNCCC(=O)O)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 | 10.1021/acs.jmedchem.7b01322 | |||
| 4410 | 6381 | 68 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1128/aac.01727-08 | |||
| 65015 | 6381 | 68 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1128/aac.01727-08 | |||
| 844 | 6381 | 68 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1128/aac.01727-08 | |||
| CHEMBL18442 | 6381 | 68 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1128/aac.01727-08 | |||
| DB06809 | 6381 | 68 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1128/aac.01727-08 | |||
| CHEMBL3970509 | 487805 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 3206 | 82 | 50 | 42 | -10.1 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| 172049421 | 315170 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 1993 | 47 | 30 | 26 | -5.9 | C[C@H]1/C=C\[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)C(CCCNC(N)=O)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1016/s0960-894x(02)00041-0 | |||
| CHEMBL409991 | 315170 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 1993 | 47 | 30 | 26 | -5.9 | C[C@H]1/C=C\[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)C(CCCNC(N)=O)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1016/s0960-894x(02)00041-0 | |||
| 155534351 | 336460 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 2398 | 91 | 30 | 37 | -9.1 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)NCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCNC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(N)=O | 10.1016/j.bmc.2016.08.062 | |||
| CHEMBL4470243 | 336460 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 2398 | 91 | 30 | 37 | -9.1 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)NCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCNC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(N)=O | 10.1016/j.bmc.2016.08.062 | |||
| 4410 | 6381 | 68 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/jm300682j | |||
| 65015 | 6381 | 68 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/jm300682j | |||
| 844 | 6381 | 68 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/jm300682j | |||
| CHEMBL18442 | 6381 | 68 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/jm300682j | |||
| DB06809 | 6381 | 68 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1021/jm300682j | |||
| 25147749 | 4280 | 21 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 5.4 | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 | 10.1039/c9md00433e | |||
| 2899 | 4280 | 21 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 5.4 | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 | 10.1039/c9md00433e | |||
| CHEMBL460491 | 4280 | 21 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 5.4 | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 | 10.1039/c9md00433e | |||
| 162670980 | 366229 | 0 | None | None | None | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 778 | 21 | 5 | 11 | 3.3 | CNC(=O)COCC(=O)NCCCCCCNC(=O)COCC(=O)NC[C@H]1CC[C@H](/N=C(/NC2CCCCC2)SCC2=CSC3=NC(C)(C)CN23)CC1 | 10.1039/c9md00433e | |||
| CHEMBL4791514 | 366229 | 0 | None | None | None | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 778 | 21 | 5 | 11 | 3.3 | CNC(=O)COCC(=O)NCCCCCCNC(=O)COCC(=O)NC[C@H]1CC[C@H](/N=C(/NC2CCCCC2)SCC2=CSC3=NC(C)(C)CN23)CC1 | 10.1039/c9md00433e | |||
| 155517509 | 334741 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 1444 | 51 | 26 | 23 | -10.5 | C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)CCCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)O | 10.1016/j.ejmech.2019.03.056 | |||
| CHEMBL4444790 | 334741 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 1444 | 51 | 26 | 23 | -10.5 | C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)CCCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)O | 10.1016/j.ejmech.2019.03.056 | |||
| 155511299 | 334118 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 2806 | 107 | 36 | 43 | -9.9 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCOCCOCCNC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(N)=O | 10.1016/j.bmc.2016.08.062 | |||
| CHEMBL4435545 | 334118 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 2806 | 107 | 36 | 43 | -9.9 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCOCCOCCNC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(N)=O | 10.1016/j.bmc.2016.08.062 | |||
| 178301726 | 466858 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 974 | 18 | 16 | 12 | -3.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CC(=O)NCC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116911 | |||
| 178304084 | 466858 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 974 | 18 | 16 | 12 | -3.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CC(=O)NCC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116911 | |||
| CHEMBL6162747 | 466858 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 974 | 18 | 16 | 12 | -3.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CC(=O)NCC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116911 | |||
| CHEMBL6163797 | 466858 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 974 | 18 | 16 | 12 | -3.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CC(=O)NCC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116911 | |||
| 11625279 | 22426 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 389 | 4 | 0 | 5 | 4.2 | CN1CCC(n2c(CN(C)C3CCCc4cccnc43)nc3ccccc32)CC1 | 10.1016/j.bmcl.2010.02.053 | |||
| CHEMBL1091591 | 22426 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 389 | 4 | 0 | 5 | 4.2 | CN1CCC(n2c(CN(C)C3CCCc4cccnc43)nc3ccccc32)CC1 | 10.1016/j.bmcl.2010.02.053 | |||
| 12004386 | 469837 | 2 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 336 | 13 | 4 | 6 | 2.0 | C(CCCCCCNC1=NCCN1)CCCCCNC1=NCCN1 | 10.1016/j.ejmech.2024.116594 | |||
| CHEMBL76504 | 469837 | 2 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 336 | 13 | 4 | 6 | 2.0 | C(CCCCCCNC1=NCCN1)CCCCCNC1=NCCN1 | 10.1016/j.ejmech.2024.116594 | |||
| 172455998 | 388767 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 1499 | 47 | 23 | 19 | -3.5 | CC[C@@H](C)[C@@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| CHEMBL5423900 | 388767 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 1499 | 47 | 23 | 19 | -3.5 | CC[C@@H](C)[C@@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| 138501446 | 366689 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 396 | 6 | 0 | 7 | 2.5 | CCOc1nc(CN(C)C2CCCc3cccnc32)cc(N2CCN(C)CC2)n1 | 10.1016/j.ejmech.2019.111914 | |||
| CHEMBL4797590 | 366689 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 396 | 6 | 0 | 7 | 2.5 | CCOc1nc(CN(C)C2CCCc3cccnc32)cc(N2CCN(C)CC2)n1 | 10.1016/j.ejmech.2019.111914 | |||
| CHEMBL3940962 | 487774 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 3098 | 82 | 50 | 42 | -10.6 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| 138501464 | 366823 | 5 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 366 | 4 | 0 | 6 | 2.6 | Cc1nc(CN2CCC[C@H]2c2ncccc2C)cc(N2CCN(C)CC2)n1 | 10.1016/j.ejmech.2020.112537 | |||
| CHEMBL4799439 | 366823 | 5 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 366 | 4 | 0 | 6 | 2.6 | Cc1nc(CN2CCC[C@H]2c2ncccc2C)cc(N2CCN(C)CC2)n1 | 10.1016/j.ejmech.2020.112537 | |||
| 138501723 | 366661 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 425 | 7 | 1 | 8 | 1.6 | CN1CCN(c2cc(CN(C)C3CCCc4cccnc43)nc(N(C)CCO)n2)CC1 | 10.1016/j.ejmech.2019.111914 | |||
| CHEMBL4797285 | 366661 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 425 | 7 | 1 | 8 | 1.6 | CN1CCN(c2cc(CN(C)C3CCCc4cccnc43)nc(N(C)CCO)n2)CC1 | 10.1016/j.ejmech.2019.111914 | |||
| 155539331 | 346965 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 328 | 6 | 1 | 2 | 4.3 | Clc1ccccc1CN1CCC(CNCc2ccccc2)CC1 | 10.1016/j.ejmech.2018.10.060 | |||
| CHEMBL4514484 | 346965 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 328 | 6 | 1 | 2 | 4.3 | Clc1ccccc1CN1CCC(CNCc2ccccc2)CC1 | 10.1016/j.ejmech.2018.10.060 | |||
| 155514823 | 334475 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 352 | 8 | 1 | 3 | 4.3 | CCc1cccc(CNCC2CCN(Cc3ccccc3OC)CC2)c1 | 10.1016/j.ejmech.2018.10.060 | |||
| CHEMBL4440964 | 334475 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 352 | 8 | 1 | 3 | 4.3 | CCc1cccc(CNCC2CCN(Cc3ccccc3OC)CC2)c1 | 10.1016/j.ejmech.2018.10.060 | |||
| 155550210 | 347947 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 338 | 7 | 1 | 3 | 4.0 | COc1ccccc1CN1CCC(CNCc2cccc(C)c2)CC1 | 10.1016/j.ejmech.2018.10.060 | |||
| CHEMBL4539571 | 347947 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 338 | 7 | 1 | 3 | 4.0 | COc1ccccc1CN1CCC(CNCc2cccc(C)c2)CC1 | 10.1016/j.ejmech.2018.10.060 | |||
| 155549012 | 348278 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 376 | 6 | 1 | 2 | 5.3 | Cc1cccc(CNCC2CCN(Cc3cccc(Cl)c3Cl)CC2)c1 | 10.1016/j.ejmech.2018.10.060 | |||
| CHEMBL4548557 | 348278 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 376 | 6 | 1 | 2 | 5.3 | Cc1cccc(CNCC2CCN(Cc3cccc(Cl)c3Cl)CC2)c1 | 10.1016/j.ejmech.2018.10.060 | |||
| 132072454 | 353611 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 558 | 6 | 2 | 8 | 4.7 | COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN(C#N)[C@H](c3[nH]c4ccccc4c3CCn3cc(-c4cccc(Cl)c4)nn3)C[C@@H]21 | 10.1016/j.bmc.2020.115546 | |||
| CHEMBL4744046 | 353611 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 558 | 6 | 2 | 8 | 4.7 | COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN(C#N)[C@H](c3[nH]c4ccccc4c3CCn3cc(-c4cccc(Cl)c4)nn3)C[C@@H]21 | 10.1016/j.bmc.2020.115546 | |||
| 59826001 | 317663 | 0 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 344 | 6 | 0 | 3 | 3.1 | CN(Cc1ccccc1)S(=O)(=O)c1ccc(CN2CCCC2)cc1 | 10.1016/j.ejmech.2017.08.027 | |||
| CHEMBL4162225 | 317663 | 0 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 344 | 6 | 0 | 3 | 3.1 | CN(Cc1ccccc1)S(=O)(=O)c1ccc(CN2CCCC2)cc1 | 10.1016/j.ejmech.2017.08.027 | |||
| 56648314 | 142857 | 0 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 1585 | 30 | 20 | 18 | -2.6 | CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CNC(=O)CC(=O)NCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C | 10.1021/jm2009716 | |||
| 91930557 | 142857 | 0 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 1585 | 30 | 20 | 18 | -2.6 | CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CNC(=O)CC(=O)NCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C | 10.1021/jm2009716 | |||
| CHEMBL1949884 | 142857 | 0 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 1585 | 30 | 20 | 18 | -2.6 | CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CNC(=O)CC(=O)NCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C | 10.1021/jm2009716 | |||
| 25147749 | 4280 | 21 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 5.4 | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 | 10.1021/jm801065q | |||
| 2899 | 4280 | 21 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 5.4 | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 | 10.1021/jm801065q | |||
| CHEMBL460491 | 4280 | 21 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 5.4 | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 | 10.1021/jm801065q | |||
| CHEMBL2180077 | 488625 | 0 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 729 | 12 | 12 | 8 | -1.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1016/j.bmc.2014.07.004 | |||
| CHEMBL436097 | 488625 | 0 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 729 | 12 | 12 | 8 | -1.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1016/j.bmc.2014.07.004 | |||
| 177379164 | 392850 | 0 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 5.4 | CC1(C)CN2C=C(CS/C(=N/C3CCCCC3)NC3CCCCC3)SC2=N1 | 10.1016/j.ejmech.2024.116594 | |||
| CHEMBL5613983 | 392850 | 0 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 5.4 | CC1(C)CN2C=C(CS/C(=N/C3CCCCC3)NC3CCCCC3)SC2=N1 | 10.1016/j.ejmech.2024.116594 | |||
| CHEMBL219339 | 485257 | 0 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 729 | 12 | 12 | 8 | -1.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CCCNC(=N)N)NC1=O | 10.1021/jm0607350 | |||
| 126842508 | 290520 | 0 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 583 | 10 | 1 | 7 | 5.0 | NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)I=O)c12)C1CCCc2cccnc21 | nan | |||
| CHEMBL3900826 | 290520 | 0 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 583 | 10 | 1 | 7 | 5.0 | NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)I=O)c12)C1CCCc2cccnc21 | nan | |||
| 138501643 | 353465 | 0 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 380 | 4 | 0 | 6 | 2.8 | Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2CCN(C)[C@H](C)C2)n1 | 10.1016/j.ejmech.2019.111914 | |||
| CHEMBL4741926 | 353465 | 0 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 380 | 4 | 0 | 6 | 2.8 | Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2CCN(C)[C@H](C)C2)n1 | 10.1016/j.ejmech.2019.111914 | |||
| 138501645 | 355250 | 0 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 394 | 4 | 0 | 6 | 3.2 | Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2C[C@H](C)N(C)[C@H](C)C2)n1 | 10.1016/j.ejmech.2019.111914 | |||
| CHEMBL4763585 | 355250 | 0 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 394 | 4 | 0 | 6 | 3.2 | Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2C[C@H](C)N(C)[C@H](C)C2)n1 | 10.1016/j.ejmech.2019.111914 | |||
| 72535503 | 294759 | 0 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 525 | 11 | 2 | 7 | 4.5 | NCCCCN(Cc1nccc2c3ccccc3n(CCCN3CCNCC3)c12)C1CCCc2cccnc21 | nan | |||
| CHEMBL3934822 | 294759 | 0 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 525 | 11 | 2 | 7 | 4.5 | NCCCCN(Cc1nccc2c3ccccc3n(CCCN3CCNCC3)c12)C1CCCc2cccnc21 | nan | |||
| CHEMBL2180076 | 488626 | 28 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 729 | 12 | 12 | 8 | -1.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm050009h | |||
| CHEMBL436283 | 488626 | 28 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 729 | 12 | 12 | 8 | -1.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm050009h | |||
| 483559 | 355444 | 35 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1016/j.ejmech.2024.116594 | |||
| CHEMBL477121 | 355444 | 35 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1016/j.ejmech.2024.116594 | |||
| 138501621 | 354236 | 5 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 366 | 4 | 0 | 6 | 2.4 | Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2CCN(C)CC2)n1 | 10.1016/j.ejmech.2019.111914 | |||
| CHEMBL4751485 | 354236 | 5 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 366 | 4 | 0 | 6 | 2.4 | Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2CCN(C)CC2)n1 | 10.1016/j.ejmech.2019.111914 | |||
| 25178353 | 373973 | 0 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 434 | 4 | 1 | 5 | 6.1 | CC1(C)CN2C(CS/C(=N\C3CCCCCC3)NC3CCCCCC3)=CSC2=N1 | 10.1021/jm801065q | |||
| CHEMBL518501 | 373973 | 0 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 434 | 4 | 1 | 5 | 6.1 | CC1(C)CN2C(CS/C(=N\C3CCCCCC3)NC3CCCCCC3)=CSC2=N1 | 10.1021/jm801065q | |||
| 51031036 | 318153 | 0 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 358 | 6 | 0 | 3 | 3.5 | CN(Cc1ccccc1)S(=O)(=O)c1ccc(CN2CCCCC2)cc1 | 10.1016/j.ejmech.2017.08.027 | |||
| CHEMBL4170138 | 318153 | 0 | None | None | None | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 358 | 6 | 0 | 3 | 3.5 | CN(Cc1ccccc1)S(=O)(=O)c1ccc(CN2CCCCC2)cc1 | 10.1016/j.ejmech.2017.08.027 | |||
| 72546064 | 213558 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 491 | 9 | 1 | 6 | 2.8 | NCCCCN(C[C@H]1Cc2ccccc2CN1CC(=O)N1CCOCC1)[C@H]1CCCc2cccnc21 | 10.1021/ml400183q | |||
| CHEMBL3091692 | 213558 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 491 | 9 | 1 | 6 | 2.8 | NCCCCN(C[C@H]1Cc2ccccc2CN1CC(=O)N1CCOCC1)[C@H]1CCCc2cccnc21 | 10.1021/ml400183q | |||
| 25178144 | 350815 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 430 | 4 | 1 | 5 | 5.1 | C1=C(CS/C(=N\C2CCCCC2)NC2C3CC4CC(C3)CC2C4)N2CCN=C2S1 | 10.1021/jm801065q | |||
| CHEMBL461359 | 350815 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 430 | 4 | 1 | 5 | 5.1 | C1=C(CS/C(=N\C2CCCCC2)NC2C3CC4CC(C3)CC2C4)N2CCN=C2S1 | 10.1021/jm801065q | |||
| 171346147 | 386761 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 429 | 14 | 5 | 5 | 4.1 | Nc1cc(CNCCCNC2CCCCC2)cc(CNCCCNC2CCCCC2)c1 | 10.1016/j.ejmech.2020.112410 | |||
| CHEMBL5285076 | 386761 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 429 | 14 | 5 | 5 | 4.1 | Nc1cc(CNCCCNC2CCCCC2)cc(CNCCCNC2CCCCC2)c1 | 10.1016/j.ejmech.2020.112410 | |||
| 137648362 | 313632 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 556 | 17 | 5 | 11 | 2.6 | Cc1cc(NC2CCN(CCC(=O)O)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 | 10.1021/acs.jmedchem.7b01322 | |||
| CHEMBL4082328 | 313632 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 556 | 17 | 5 | 11 | 2.6 | Cc1cc(NC2CCN(CCC(=O)O)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 | 10.1021/acs.jmedchem.7b01322 | |||
| 178313614 | 466482 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 974 | 18 | 16 | 12 | -3.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116911 | |||
| 178323587 | 466482 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 974 | 18 | 16 | 12 | -3.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116911 | |||
| CHEMBL6146770 | 466482 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 974 | 18 | 16 | 12 | -3.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116911 | |||
| CHEMBL6174013 | 466482 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 974 | 18 | 16 | 12 | -3.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116911 | |||
| 137658540 | 315526 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 613 | 19 | 6 | 12 | 1.7 | Cc1cc(NC2CCN(C(=O)CNCCC(=O)O)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 | 10.1021/acs.jmedchem.7b01322 | |||
| CHEMBL4104222 | 315526 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 613 | 19 | 6 | 12 | 1.7 | Cc1cc(NC2CCN(C(=O)CNCCC(=O)O)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 | 10.1021/acs.jmedchem.7b01322 | |||
| 172449957 | 387922 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1493 | 48 | 23 | 21 | -4.3 | CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](N)CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| CHEMBL5406368 | 387922 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1493 | 48 | 23 | 21 | -4.3 | CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](N)CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| CHEMBL3976727 | 487811 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 3096 | 82 | 51 | 43 | -11.0 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| CHEMBL3982241 | 487823 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 3110 | 81 | 51 | 43 | -10.6 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| CHEMBL2180076 | 488626 | 28 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 729 | 12 | 12 | 8 | -1.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm2016914 | |||
| CHEMBL436283 | 488626 | 28 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 729 | 12 | 12 | 8 | -1.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm2016914 | |||
| 25178567 | 350814 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 380 | 8 | 1 | 5 | 4.8 | CCCCCCN/C(=N/C1CCCCC1)SCC1=CSC2=NCCN12 | 10.1021/jm801065q | |||
| CHEMBL461358 | 350814 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 380 | 8 | 1 | 5 | 4.8 | CCCCCCN/C(=N/C1CCCCC1)SCC1=CSC2=NCCN12 | 10.1021/jm801065q | |||
| 137638711 | 312885 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 538 | 14 | 5 | 10 | 3.2 | FC(F)(F)c1cc(NC2CCNCC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 | 10.1021/acs.jmedchem.7b01322 | |||
| CHEMBL4072978 | 312885 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 538 | 14 | 5 | 10 | 3.2 | FC(F)(F)c1cc(NC2CCNCC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 | 10.1021/acs.jmedchem.7b01322 | |||
| CHEMBL3628613 | 477952 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 3861 | 73 | 30 | 43 | -1.3 | [N-]=[N+]=NCCCCCC(=O)NCCCC(=O)N[C@@H](CCCCNC(=O)CSC[C@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CS[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O)C(N)=O | 10.1016/j.bmc.2015.09.040 | |||
| 172450746 | 388451 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 1491 | 47 | 24 | 21 | -5.8 | CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CO)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| 172465787 | 388451 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 1491 | 47 | 24 | 21 | -5.8 | CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CO)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| CHEMBL5417153 | 388451 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 1491 | 47 | 24 | 21 | -5.8 | CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CO)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| CHEMBL5435575 | 388451 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 1491 | 47 | 24 | 21 | -5.8 | CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CO)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| 171346021 | 386249 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 2845 | 99 | 46 | 38 | -12.7 | CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N(CCCCCC(=O)O)[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1016/j.ejmech.2022.114797 | |||
| 171353824 | 386249 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 2845 | 99 | 46 | 38 | -12.7 | CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N(CCCCCC(=O)O)[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1016/j.ejmech.2022.114797 | |||
| CHEMBL5273020 | 386249 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 2845 | 99 | 46 | 38 | -12.7 | CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N(CCCCCC(=O)O)[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1016/j.ejmech.2022.114797 | |||
| CHEMBL5281510 | 386249 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 2845 | 99 | 46 | 38 | -12.7 | CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N(CCCCCC(=O)O)[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1016/j.ejmech.2022.114797 | |||
| 172454679 | 388207 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 1437 | 46 | 23 | 21 | -5.7 | CSCC[C@H](NC(=O)CN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| CHEMBL5412198 | 388207 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 1437 | 46 | 23 | 21 | -5.7 | CSCC[C@H](NC(=O)CN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| 145975799 | 328584 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 352 | 4 | 0 | 6 | 2.1 | CN1CCN(c2cc(CN(C)[C@H]3CCCc4cccnc43)ncn2)CC1 | 10.1016/j.ejmech.2019.111914 | |||
| CHEMBL4203703 | 328584 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 352 | 4 | 0 | 6 | 2.1 | CN1CCN(c2cc(CN(C)[C@H]3CCCc4cccnc43)ncn2)CC1 | 10.1016/j.ejmech.2019.111914 | |||
| 145975799 | 328584 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 352 | 4 | 0 | 6 | 2.1 | CN1CCN(c2cc(CN(C)[C@H]3CCCc4cccnc43)ncn2)CC1 | 10.1016/j.ejmech.2018.02.042 | |||
| CHEMBL4203703 | 328584 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 352 | 4 | 0 | 6 | 2.1 | CN1CCN(c2cc(CN(C)[C@H]3CCCc4cccnc43)ncn2)CC1 | 10.1016/j.ejmech.2018.02.042 | |||
| 137649869 | 313427 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 627 | 20 | 6 | 12 | 2.1 | Cc1cc(NC2CCN(C(=O)CCCNCC(=O)O)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 | 10.1021/acs.jmedchem.7b01322 | |||
| CHEMBL4079981 | 313427 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 627 | 20 | 6 | 12 | 2.1 | Cc1cc(NC2CCN(C(=O)CCCNCC(=O)O)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 | 10.1021/acs.jmedchem.7b01322 | |||
| 53320547 | 119701 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 389 | 5 | 2 | 5 | 4.6 | NCc1cscc1N(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21 | 10.1016/j.bmcl.2010.11.023 | |||
| CHEMBL1644081 | 119701 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 389 | 5 | 2 | 5 | 4.6 | NCc1cscc1N(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21 | 10.1016/j.bmcl.2010.11.023 | |||
| 178303491 | 466845 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 974 | 18 | 16 | 12 | -3.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CCC(=O)NC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116911 | |||
| 178304294 | 466845 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 974 | 18 | 16 | 12 | -3.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CCC(=O)NC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116911 | |||
| CHEMBL6162415 | 466845 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 974 | 18 | 16 | 12 | -3.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CCC(=O)NC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116911 | |||
| CHEMBL6170849 | 466845 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 974 | 18 | 16 | 12 | -3.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CCC(=O)NC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2024.116911 | |||
| 162672979 | 366375 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 404 | 5 | 2 | 5 | 5.2 | CCOC(=O)c1c(NC(=S)Nc2cccc(OC)c2)sc2c1C(C)CCC2 | 10.1016/j.ejmech.2020.112387 | |||
| CHEMBL4793669 | 366375 | 0 | None | None | None | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 404 | 5 | 2 | 5 | 5.2 | CCOC(=O)c1c(NC(=S)Nc2cccc(OC)c2)sc2c1C(C)CCC2 | 10.1016/j.ejmech.2020.112387 | |||
| 133081963 | 2270 | 0 | None | None | None | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 446 | 8 | 2 | 5 | 3.8 | O1CCC(CC1)NC/C=C/CN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/acs.jmedchem.7b01420 | |||
| 9883 | 2270 | 0 | None | None | None | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 446 | 8 | 2 | 5 | 3.8 | O1CCC(CC1)NC/C=C/CN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/acs.jmedchem.7b01420 | |||
| CHEMBL4075205 | 2270 | 0 | None | None | None | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 446 | 8 | 2 | 5 | 3.8 | O1CCC(CC1)NC/C=C/CN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/acs.jmedchem.7b01420 | |||
| 70965023 | 291247 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 567 | 10 | 1 | 8 | 4.1 | c1cnc2c(c1)CCCC2N(CCCN1CCNCC1)Cc1nccc2c3ccccc3n(CCN3CCOCC3)c12 | nan | |||
| CHEMBL3906863 | 291247 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 567 | 10 | 1 | 8 | 4.1 | c1cnc2c(c1)CCCC2N(CCCN1CCNCC1)Cc1nccc2c3ccccc3n(CCN3CCOCC3)c12 | nan | |||
| 44482059 | 20037 | 6 | None | None | None | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 315 | 5 | 5 | 4 | 0.7 | N=C(N)NCC/C=C1\NC(=O)N(/C=C/c2ccc(O)cc2)C1=O | 10.1016/j.ejmech.2024.116594 | |||
| CHEMBL1078088 | 20037 | 6 | None | None | None | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 315 | 5 | 5 | 4 | 0.7 | N=C(N)NCC/C=C1\NC(=O)N(/C=C/c2ccc(O)cc2)C1=O | 10.1016/j.ejmech.2024.116594 | |||
| 66545960 | 157122 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 728 | 12 | 13 | 8 | -0.6 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=N)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/ml200047e | |||
| CHEMBL2042117 | 157122 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 728 | 12 | 13 | 8 | -0.6 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=N)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/ml200047e | |||
| CHEMBL2012523 | 477501 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 3121 | 81 | 49 | 43 | -9.4 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)C1)C(=O)O | 10.1021/ml200084n | |||
| 89667385 | 290022 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 554 | 9 | 1 | 7 | 4.8 | C[C@H]1CN(C(=O)Cn2c3ccccc3c3ccnc(CN(CCCCN)C4CCCc5cccnc54)c32)C[C@@H](C)O1 | nan | |||
| CHEMBL3896614 | 290022 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 554 | 9 | 1 | 7 | 4.8 | C[C@H]1CN(C(=O)Cn2c3ccccc3c3ccnc(CN(CCCCN)C4CCCc5cccnc54)c32)C[C@@H](C)O1 | nan | |||
| CHEMBL372874 | 487490 | 0 | None | None | None | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 727 | 9 | 10 | 8 | -1.6 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H]2C[C@H](N=C(N)N)CN2C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm050009h | |||
| 134155140 | 297785 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 3268 | 83 | 51 | 43 | -7.5 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cc2cccc3ccc4cccc1c4c32)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| CHEMBL3959440 | 297785 | 0 | None | None | None | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 3268 | 83 | 51 | 43 | -7.5 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cc2cccc3ccc4cccc1c4c32)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| 66552365 | 465834 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 715 | 12 | 9 | 8 | 0.1 | C[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1CCCCN | 10.1016/j.ejmech.2024.116982 | |||
| CHEMBL6102562 | 465834 | 0 | None | None | None | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 715 | 12 | 9 | 8 | 0.1 | C[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1CCCCN | 10.1016/j.ejmech.2024.116982 | |||
| 57345320 | 8342 | 12 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/acsmedchemlett.8b00441 | |||
| 9882 | 8342 | 12 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/acsmedchemlett.8b00441 | |||
| CHEMBL3091687 | 8342 | 12 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/acsmedchemlett.8b00441 | |||
| 137648113 | 313594 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 649 | 19 | 7 | 12 | 1.8 | Cc1cc(NC2CCN(C(=O)CCNCP(=O)(O)O)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 | 10.1021/acs.jmedchem.7b01322 | |||
| CHEMBL4081892 | 313594 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 649 | 19 | 7 | 12 | 1.8 | Cc1cc(NC2CCN(C(=O)CCNCP(=O)(O)O)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 | 10.1021/acs.jmedchem.7b01322 | |||
| 155517509 | 334741 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 1444 | 51 | 26 | 23 | -10.5 | C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)CCCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)O | 10.1016/j.ejmech.2019.03.056 | |||
| CHEMBL4444790 | 334741 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 1444 | 51 | 26 | 23 | -10.5 | C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)CCCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)O | 10.1016/j.ejmech.2019.03.056 | |||
| CHEMBL376811 | 487573 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 743 | 12 | 12 | 8 | -0.7 | C[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm0607350 | |||
| 172452641 | 388187 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 1443 | 45 | 23 | 19 | -4.1 | CC(C)C[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| 172467876 | 388187 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 1443 | 45 | 23 | 19 | -4.1 | CC(C)C[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| CHEMBL5411776 | 388187 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 1443 | 45 | 23 | 19 | -4.1 | CC(C)C[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| CHEMBL5434525 | 388187 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 1443 | 45 | 23 | 19 | -4.1 | CC(C)C[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| 118965426 | 312543 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 584 | 19 | 5 | 11 | 3.4 | Cc1cc(NC2CCN(CCCCC(=O)O)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 | 10.1021/acs.jmedchem.7b01322 | |||
| CHEMBL4069110 | 312543 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 584 | 19 | 5 | 11 | 3.4 | Cc1cc(NC2CCN(CCCCC(=O)O)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 | 10.1021/acs.jmedchem.7b01322 | |||
| 71719569 | 179075 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 706 | 16 | 9 | 4 | 8.2 | N=C(NCCCNCCCCN(CCCNC(=N)Nc1ccc2ccccc2c1)C(=N)Nc1ccc2ccccc2c1)Nc1ccc2ccccc2c1 | 10.1016/j.bmcl.2013.01.107 | |||
| CHEMBL2347633 | 179075 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 706 | 16 | 9 | 4 | 8.2 | N=C(NCCCNCCCCN(CCCNC(=N)Nc1ccc2ccccc2c1)C(=N)Nc1ccc2ccccc2c1)Nc1ccc2ccccc2c1 | 10.1016/j.bmcl.2013.01.107 | |||
| 138501454 | 355244 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 409 | 6 | 1 | 7 | 3.0 | CC(C)Nc1nc(CN(C)C2CCCc3cccnc32)cc(N2CCN(C)CC2)n1 | 10.1016/j.ejmech.2019.111914 | |||
| CHEMBL4763507 | 355244 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 409 | 6 | 1 | 7 | 3.0 | CC(C)Nc1nc(CN(C)C2CCCc3cccnc32)cc(N2CCN(C)CC2)n1 | 10.1016/j.ejmech.2019.111914 | |||
| 162668274 | 356368 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 388 | 4 | 2 | 4 | 5.6 | CC(C)OC(=O)c1c(NC(=S)Nc2ccccc2)sc2c1C(C)CCC2 | 10.1016/j.ejmech.2020.112387 | |||
| CHEMBL4787532 | 356368 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 388 | 4 | 2 | 4 | 5.6 | CC(C)OC(=O)c1c(NC(=S)Nc2ccccc2)sc2c1C(C)CCC2 | 10.1016/j.ejmech.2020.112387 | |||
| CHEMBL3949729 | 487784 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 3095 | 82 | 51 | 43 | -11.1 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(N)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| 66552367 | 465842 | 0 | None | None | None | Human | 4.0 | pIC50 | = | 4.0 | Binding | ChEMBL | 743 | 14 | 9 | 8 | 0.9 | C[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1CCCCCCN | 10.1016/j.ejmech.2024.116982 | |||
| 66552427 | 465842 | 0 | None | None | None | Human | 4.0 | pIC50 | = | 4.0 | Binding | ChEMBL | 743 | 14 | 9 | 8 | 0.9 | C[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1CCCCCCN | 10.1016/j.ejmech.2024.116982 | |||
| CHEMBL6102625 | 465842 | 0 | None | None | None | Human | 4.0 | pIC50 | = | 4.0 | Binding | ChEMBL | 743 | 14 | 9 | 8 | 0.9 | C[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1CCCCCCN | 10.1016/j.ejmech.2024.116982 | |||
| CHEMBL6133667 | 465842 | 0 | None | None | None | Human | 4.0 | pIC50 | = | 4.0 | Binding | ChEMBL | 743 | 14 | 9 | 8 | 0.9 | C[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1CCCCCCN | 10.1016/j.ejmech.2024.116982 | |||
| CHEMBL3954553 | 487791 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 2871 | 75 | 49 | 40 | -10.6 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00566 | |||
| 142549051 | 354074 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 449 | 5 | 0 | 7 | 2.9 | Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2CCC(N3CCN(C)CC3)CC2)n1 | 10.1016/j.ejmech.2019.111914 | |||
| CHEMBL4749488 | 354074 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 449 | 5 | 0 | 7 | 2.9 | Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2CCC(N3CCN(C)CC3)CC2)n1 | 10.1016/j.ejmech.2019.111914 | |||
| 51346844 | 121225 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 324 | 7 | 1 | 4 | 3.4 | Cc1cccc(CN(CCCCN)[C@H]2CCCc3cccnc32)n1 | 10.1016/j.bmcl.2011.01.021 | |||
| CHEMBL1682994 | 121225 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 324 | 7 | 1 | 4 | 3.4 | Cc1cccc(CN(CCCCN)[C@H]2CCCc3cccnc32)n1 | 10.1016/j.bmcl.2011.01.021 | |||
| 172440437 | 387517 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 1517 | 48 | 23 | 20 | -3.8 | CSCC[C@@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| 172441538 | 387517 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 1517 | 48 | 23 | 20 | -3.8 | CSCC[C@@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| CHEMBL5397712 | 387517 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 1517 | 48 | 23 | 20 | -3.8 | CSCC[C@@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| CHEMBL5398141 | 387517 | 0 | None | None | None | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 1517 | 48 | 23 | 20 | -3.8 | CSCC[C@@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| 25147749 | 4280 | 21 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 5.4 | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 | 10.1021/acsmedchemlett.8b00441 | |||
| 2899 | 4280 | 21 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 5.4 | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 | 10.1021/acsmedchemlett.8b00441 | |||
| CHEMBL460491 | 4280 | 21 | None | None | None | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 5.4 | CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 | 10.1021/acsmedchemlett.8b00441 | |||
| CHEMBL365952 | 487362 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 701 | 12 | 9 | 8 | -0.4 | NCCCC[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC1=O | 10.1021/jm050009h | |||
| 118965398 | 313385 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 627 | 19 | 5 | 12 | 1.8 | Cc1cc(N(C)C2CCN(C(=O)CCNCC(=O)O)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 | 10.1021/acs.jmedchem.7b01322 | |||
| CHEMBL4079460 | 313385 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 627 | 19 | 5 | 12 | 1.8 | Cc1cc(N(C)C2CCN(C(=O)CCNCC(=O)O)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 | 10.1021/acs.jmedchem.7b01322 | |||
| 57345320 | 8342 | 12 | None | None | None | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/acsmedchemlett.8b00441 | |||
| 9882 | 8342 | 12 | None | None | None | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/acsmedchemlett.8b00441 | |||
| CHEMBL3091687 | 8342 | 12 | None | None | None | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/acsmedchemlett.8b00441 | |||
| 56647929 | 142860 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 1999 | 42 | 23 | 25 | -3.2 | CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)C[C@H](NC(=O)CCCCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C | 10.1021/jm2009716 | |||
| 91930560 | 142860 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 1999 | 42 | 23 | 25 | -3.2 | CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)C[C@H](NC(=O)CCCCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C | 10.1021/jm2009716 | |||
| CHEMBL1949887 | 142860 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 1999 | 42 | 23 | 25 | -3.2 | CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)C[C@H](NC(=O)CCCCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C | 10.1021/jm2009716 | |||
| CHEMBL436536 | 488630 | 0 | None | None | None | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 743 | 12 | 11 | 8 | -0.7 | CN1C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCNC(=N)N | 10.1021/jm0607350 | |||
| 172470081 | 389402 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 1475 | 47 | 23 | 20 | -4.0 | CC[C@H](C)[C@H](N)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| CHEMBL5438653 | 389402 | 0 | None | None | None | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 1475 | 47 | 23 | 20 | -4.0 | CC[C@H](C)[C@H](N)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1021/acs.jmedchem.3c01128 | |||
| 172463401 | 389174 | 0 | None | None | None | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 905 | 19 | 2 | 8 | 9.8 | CN(Cc1ncc2ccccc2c1CCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1)[C@H]1CCCc2cccnc21 | 10.1021/acs.jmedchem.3c00151 | |||
| CHEMBL5433584 | 389174 | 0 | None | None | None | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 905 | 19 | 2 | 8 | 9.8 | CN(Cc1ncc2ccccc2c1CCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1)[C@H]1CCCc2cccnc21 | 10.1021/acs.jmedchem.3c00151 | |||
| 172454759 | 388447 | 0 | None | None | None | Human | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 747 | 16 | 2 | 6 | 7.4 | Cc1cc(C)n2c1C=C1C=C(CCC(=O)NCCCCCC(=O)NCCCc3c(CN(C)[C@H]4CCCc5cccnc54)ncc4ccccc34)C=[N+]1[B-]2(F)F | 10.1021/acs.jmedchem.3c00151 | |||
| CHEMBL5417064 | 388447 | 0 | None | None | None | Human | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 747 | 16 | 2 | 6 | 7.4 | Cc1cc(C)n2c1C=C1C=C(CCC(=O)NCCCCCC(=O)NCCCc3c(CN(C)[C@H]4CCCc5cccnc54)ncc4ccccc34)C=[N+]1[B-]2(F)F | 10.1021/acs.jmedchem.3c00151 | |||
| 168286390 | 374800 | 0 | None | None | None | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 1024 | 24 | 10 | 12 | 7.0 | N/C(=N\C(=O)CCCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)NCCC[C@H](NCc1ccccn1)C(=O)NCc1ccc(CNCCCNC2CCCCC2)cc1 | 10.1016/j.ejmech.2022.114150 | |||
| CHEMBL5197361 | 374800 | 0 | None | None | None | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 1024 | 24 | 10 | 12 | 7.0 | N/C(=N\C(=O)CCCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)NCCC[C@H](NCc1ccccn1)C(=O)NCc1ccc(CNCCCNC2CCCCC2)cc1 | 10.1016/j.ejmech.2022.114150 | |||
| 172452619 | 388142 | 0 | None | None | None | Human | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 1045 | 16 | 3 | 12 | 9.7 | CN1/C(=C\C=C\C=C\C2=[N+](CCCCCC(=O)N[C@H]3CC[C@H](/N=C(/NC4CCCCC4)SCC4=CSC5=NC(C)(C)CN45)CC3)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21 | 10.1021/acs.jmedchem.3c00151 | |||
| CHEMBL5410929 | 388142 | 0 | None | None | None | Human | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 1045 | 16 | 3 | 12 | 9.7 | CN1/C(=C\C=C\C=C\C2=[N+](CCCCCC(=O)N[C@H]3CC[C@H](/N=C(/NC4CCCCC4)SCC4=CSC5=NC(C)(C)CN45)CC3)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21 | 10.1021/acs.jmedchem.3c00151 | |||
| 172450500 | 388136 | 0 | None | None | None | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 894 | 20 | 3 | 8 | 9.3 | O=C(CCCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1)NCCCCN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21 | 10.1021/acs.jmedchem.3c00151 | |||
| CHEMBL5410829 | 388136 | 0 | None | None | None | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 894 | 20 | 3 | 8 | 9.3 | O=C(CCCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1)NCCCCN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21 | 10.1021/acs.jmedchem.3c00151 | |||
| 172458784 | 388525 | 0 | None | None | None | Human | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 966 | 17 | 3 | 10 | 10.1 | CC1(C)CN2C(CS/C(=N/[C@H]3CC[C@H](NC(=O)CCCCCNC(=O)COc4ccc(/C=C/C5=[N+]6C(=Cc7ccc(-c8cccs8)n7[B-]6(F)F)C=C5)cc4)CC3)NC3CCCCC3)=CSC2=N1 | 10.1021/acs.jmedchem.3c00151 | |||
| CHEMBL5418367 | 388525 | 0 | None | None | None | Human | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 966 | 17 | 3 | 10 | 10.1 | CC1(C)CN2C(CS/C(=N/[C@H]3CC[C@H](NC(=O)CCCCCNC(=O)COc4ccc(/C=C/C5=[N+]6C(=Cc7ccc(-c8cccs8)n7[B-]6(F)F)C=C5)cc4)CC3)NC3CCCCC3)=CSC2=N1 | 10.1021/acs.jmedchem.3c00151 | |||
| 11950261 | 40541 | 7 | None | None | None | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 479 | 17 | 1 | 6 | 4.7 | CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 | 10.1021/acs.jmedchem.6b01309 | |||
| CHEMBL1242211 | 40541 | 7 | None | None | None | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 479 | 17 | 1 | 6 | 4.7 | CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 | 10.1021/acs.jmedchem.6b01309 | |||
| 483559 | 355444 | 35 | None | None | None | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1021/acs.jmedchem.6b01309 | |||
| CHEMBL477121 | 355444 | 35 | None | None | None | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1021/acs.jmedchem.6b01309 | |||
| 483559 | 355444 | 35 | None | None | None | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | |||
| CHEMBL477121 | 355444 | 35 | None | None | None | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | |||
| 483559 | 355444 | 35 | None | None | None | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | |||
| CHEMBL477121 | 355444 | 35 | None | None | None | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | |||
| 4410 | 6381 | 68 | None | -524 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 65015 | 6381 | 68 | None | -524 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 844 | 6381 | 68 | None | -524 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| CHEMBL18442 | 6381 | 68 | None | -524 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| DB06809 | 6381 | 68 | None | -524 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 483559 | 355444 | 35 | None | None | None | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | |||
| CHEMBL477121 | 355444 | 35 | None | None | None | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | |||
| 134694953 | 313770 | 22 | None | -851 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 522 | 7 | 1 | 7 | 2.5 | CCc1ccn2ccnc2c1N1CCCN([C@@H](CC(N)=O)C2CCN(C(=O)[C@H]3C[C@@H]4CC[C@H]3O4)CC2)CC1 | 10.1021/acs.jmedchem.8b00190 | |||
| CHEMBL4084050 | 313770 | 22 | None | -851 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 522 | 7 | 1 | 7 | 2.5 | CCc1ccn2ccnc2c1N1CCCN([C@@H](CC(N)=O)C2CCN(C(=O)[C@H]3C[C@@H]4CC[C@H]3O4)CC2)CC1 | 10.1021/acs.jmedchem.8b00190 | |||
| 483559 | 355444 | 35 | None | None | None | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | |||
| CHEMBL477121 | 355444 | 35 | None | None | None | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | |||
| 483559 | 355444 | 35 | None | None | None | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | |||
| CHEMBL477121 | 355444 | 35 | None | None | None | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | |||
| 131704233 | 40791 | 74 | None | None | None | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 200 | 0 | 4 | 4 | -0.9 | C1CNCCNCCCNCCNC1 | 10.1021/acs.jmedchem.6b01309 | |||
| 64964 | 40791 | 74 | None | None | None | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 200 | 0 | 4 | 4 | -0.9 | C1CNCCNCCCNCCNC1 | 10.1021/acs.jmedchem.6b01309 | |||
| CHEMBL125150 | 40791 | 74 | None | None | None | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 200 | 0 | 4 | 4 | -0.9 | C1CNCCNCCCNCCNC1 | 10.1021/acs.jmedchem.6b01309 | |||
| DB03189 | 40791 | 74 | None | None | None | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 200 | 0 | 4 | 4 | -0.9 | C1CNCCNCCCNCCNC1 | 10.1021/acs.jmedchem.6b01309 | |||
| 4410 | 6381 | 68 | None | -524 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 65015 | 6381 | 68 | None | -524 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 844 | 6381 | 68 | None | -524 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| CHEMBL18442 | 6381 | 68 | None | -524 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| DB06809 | 6381 | 68 | None | -524 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 4410 | 6381 | 68 | None | -524 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 65015 | 6381 | 68 | None | -524 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 844 | 6381 | 68 | None | -524 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| CHEMBL18442 | 6381 | 68 | None | -524 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| DB06809 | 6381 | 68 | None | -524 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 4410 | 6381 | 68 | None | -524 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 65015 | 6381 | 68 | None | -524 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 844 | 6381 | 68 | None | -524 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| CHEMBL18442 | 6381 | 68 | None | -524 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| DB06809 | 6381 | 68 | None | -524 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 483559 | 355444 | 35 | None | None | None | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | |||
| CHEMBL477121 | 355444 | 35 | None | None | None | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | |||
| 4410 | 6381 | 68 | None | -524 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 65015 | 6381 | 68 | None | -524 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 844 | 6381 | 68 | None | -524 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| CHEMBL18442 | 6381 | 68 | None | -524 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| DB06809 | 6381 | 68 | None | -524 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 460344 | 39566 | 12 | None | None | None | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 304 | 2 | 3 | 4 | 1.4 | Cc1ccc(CN2CCCNCCNCCCNCC2)cc1 | 10.1021/acs.jmedchem.6b01309 | |||
| CHEMBL122226 | 39566 | 12 | None | None | None | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 304 | 2 | 3 | 4 | 1.4 | Cc1ccc(CN2CCCNCCNCCCNCC2)cc1 | 10.1021/acs.jmedchem.6b01309 | |||
| 483570 | 355924 | 0 | None | None | None | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 409 | 6 | 4 | 5 | 2.3 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 | 10.1021/acs.jmedchem.6b01309 | |||
| CHEMBL478168 | 355924 | 0 | None | None | None | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 409 | 6 | 4 | 5 | 2.3 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 | 10.1021/acs.jmedchem.6b01309 | |||
| 453871 | 200527 | 3 | None | None | None | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 440 | 4 | 6 | 8 | -0.9 | C1CNCCNCCCN(CCCN2CCCNCCNCCCNCC2)CCNC1 | 10.1021/acs.jmedchem.6b01309 | |||
| CHEMBL28967 | 200527 | 3 | None | None | None | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 440 | 4 | 6 | 8 | -0.9 | C1CNCCNCCCN(CCCN2CCCNCCNCCCNCC2)CCNC1 | 10.1021/acs.jmedchem.6b01309 | |||
| 4410 | 6381 | 68 | None | -524 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 65015 | 6381 | 68 | None | -524 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 844 | 6381 | 68 | None | -524 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| CHEMBL18442 | 6381 | 68 | None | -524 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| DB06809 | 6381 | 68 | None | -524 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 483559 | 355444 | 35 | None | None | None | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | |||
| CHEMBL477121 | 355444 | 35 | None | None | None | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | |||
| 483559 | 355444 | 35 | None | None | None | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | |||
| CHEMBL477121 | 355444 | 35 | None | None | None | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | |||
| 172454759 | 388447 | 0 | None | None | None | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 747 | 16 | 2 | 6 | 7.4 | Cc1cc(C)n2c1C=C1C=C(CCC(=O)NCCCCCC(=O)NCCCc3c(CN(C)[C@H]4CCCc5cccnc54)ncc4ccccc34)C=[N+]1[B-]2(F)F | 10.1021/acs.jmedchem.3c00151 | |||
| CHEMBL5417064 | 388447 | 0 | None | None | None | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 747 | 16 | 2 | 6 | 7.4 | Cc1cc(C)n2c1C=C1C=C(CCC(=O)NCCCCCC(=O)NCCCc3c(CN(C)[C@H]4CCCc5cccnc54)ncc4ccccc34)C=[N+]1[B-]2(F)F | 10.1021/acs.jmedchem.3c00151 | |||
| 4410 | 6381 | 68 | None | -524 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 65015 | 6381 | 68 | None | -524 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 844 | 6381 | 68 | None | -524 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| CHEMBL18442 | 6381 | 68 | None | -524 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| DB06809 | 6381 | 68 | None | -524 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 483559 | 355444 | 35 | None | None | None | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | |||
| CHEMBL477121 | 355444 | 35 | None | None | None | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | |||
| 11256587 | 5001 | 42 | None | None | None | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 349 | 7 | 2 | 4 | 3.6 | NCCCCN([C@H]1CCCc2c1nccc2)Cc1nc2c([nH]1)cccc2 | 10.1021/acs.jmedchem.6b01309 | |||
| 8580 | 5001 | 42 | None | None | None | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 349 | 7 | 2 | 4 | 3.6 | NCCCCN([C@H]1CCCc2c1nccc2)Cc1nc2c([nH]1)cccc2 | 10.1021/acs.jmedchem.6b01309 | |||
| CHEMBL518924 | 5001 | 42 | None | None | None | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 349 | 7 | 2 | 4 | 3.6 | NCCCCN([C@H]1CCCc2c1nccc2)Cc1nc2c([nH]1)cccc2 | 10.1021/acs.jmedchem.6b01309 | |||
| DB05501 | 5001 | 42 | None | None | None | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 349 | 7 | 2 | 4 | 3.6 | NCCCCN([C@H]1CCCc2c1nccc2)Cc1nc2c([nH]1)cccc2 | 10.1021/acs.jmedchem.6b01309 | |||
| 454260 | 42297 | 0 | None | None | None | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 482 | 7 | 6 | 8 | 0.3 | C(CCCN1CCCNCCNCCCNCC1)CCN1CCCNCCNCCCNCC1 | 10.1021/acs.jmedchem.6b01309 | |||
| CHEMBL127188 | 42297 | 0 | None | None | None | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 482 | 7 | 6 | 8 | 0.3 | C(CCCN1CCCNCCNCCCNCC1)CCN1CCCNCCNCCCNCC1 | 10.1021/acs.jmedchem.6b01309 | |||
| 483559 | 355444 | 35 | None | None | None | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | |||
| CHEMBL477121 | 355444 | 35 | None | None | None | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | |||
| 4410 | 6381 | 68 | None | -524 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 65015 | 6381 | 68 | None | -524 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 844 | 6381 | 68 | None | -524 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| CHEMBL18442 | 6381 | 68 | None | -524 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| DB06809 | 6381 | 68 | None | -524 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 4410 | 6381 | 68 | None | -524 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 65015 | 6381 | 68 | None | -524 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 844 | 6381 | 68 | None | -524 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| CHEMBL18442 | 6381 | 68 | None | -524 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| DB06809 | 6381 | 68 | None | -524 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 172452619 | 388142 | 0 | None | None | None | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1045 | 16 | 3 | 12 | 9.7 | CN1/C(=C\C=C\C=C\C2=[N+](CCCCCC(=O)N[C@H]3CC[C@H](/N=C(/NC4CCCCC4)SCC4=CSC5=NC(C)(C)CN45)CC3)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21 | 10.1021/acs.jmedchem.3c00151 | |||
| CHEMBL5410929 | 388142 | 0 | None | None | None | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1045 | 16 | 3 | 12 | 9.7 | CN1/C(=C\C=C\C=C\C2=[N+](CCCCCC(=O)N[C@H]3CC[C@H](/N=C(/NC4CCCCC4)SCC4=CSC5=NC(C)(C)CN45)CC3)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21 | 10.1021/acs.jmedchem.3c00151 | |||
| 4410 | 6381 | 68 | None | -524 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 65015 | 6381 | 68 | None | -524 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 844 | 6381 | 68 | None | -524 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| CHEMBL18442 | 6381 | 68 | None | -524 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| DB06809 | 6381 | 68 | None | -524 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 4410 | 6381 | 68 | None | -524 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 65015 | 6381 | 68 | None | -524 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 844 | 6381 | 68 | None | -524 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| CHEMBL18442 | 6381 | 68 | None | -524 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| DB06809 | 6381 | 68 | None | -524 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 483559 | 355444 | 35 | None | None | None | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | |||
| CHEMBL477121 | 355444 | 35 | None | None | None | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | |||
| 4410 | 6381 | 68 | None | -524 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 65015 | 6381 | 68 | None | -524 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 844 | 6381 | 68 | None | -524 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| CHEMBL18442 | 6381 | 68 | None | -524 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| DB06809 | 6381 | 68 | None | -524 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 483559 | 355444 | 35 | None | None | None | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | |||
| CHEMBL477121 | 355444 | 35 | None | None | None | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | |||
| 4410 | 6381 | 68 | None | -524 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 65015 | 6381 | 68 | None | -524 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 844 | 6381 | 68 | None | -524 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| CHEMBL18442 | 6381 | 68 | None | -524 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| DB06809 | 6381 | 68 | None | -524 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 172452619 | 388142 | 0 | None | None | None | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 1045 | 16 | 3 | 12 | 9.7 | CN1/C(=C\C=C\C=C\C2=[N+](CCCCCC(=O)N[C@H]3CC[C@H](/N=C(/NC4CCCCC4)SCC4=CSC5=NC(C)(C)CN45)CC3)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21 | 10.1021/acs.jmedchem.3c00151 | |||
| CHEMBL5410929 | 388142 | 0 | None | None | None | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 1045 | 16 | 3 | 12 | 9.7 | CN1/C(=C\C=C\C=C\C2=[N+](CCCCCC(=O)N[C@H]3CC[C@H](/N=C(/NC4CCCCC4)SCC4=CSC5=NC(C)(C)CN45)CC3)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21 | 10.1021/acs.jmedchem.3c00151 | |||
| 4410 | 6381 | 68 | None | -524 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 65015 | 6381 | 68 | None | -524 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 844 | 6381 | 68 | None | -524 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| CHEMBL18442 | 6381 | 68 | None | -524 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| DB06809 | 6381 | 68 | None | -524 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 483559 | 355444 | 35 | None | None | None | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | |||
| CHEMBL477121 | 355444 | 35 | None | None | None | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | |||
| 4410 | 6381 | 68 | None | -524 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 65015 | 6381 | 68 | None | -524 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 844 | 6381 | 68 | None | -524 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| CHEMBL18442 | 6381 | 68 | None | -524 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| DB06809 | 6381 | 68 | None | -524 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 4410 | 6381 | 68 | None | -524 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 65015 | 6381 | 68 | None | -524 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 844 | 6381 | 68 | None | -524 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| CHEMBL18442 | 6381 | 68 | None | -524 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| DB06809 | 6381 | 68 | None | -524 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 483559 | 355444 | 35 | None | None | None | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | |||
| CHEMBL477121 | 355444 | 35 | None | None | None | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | |||
| 483559 | 355444 | 35 | None | None | None | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | |||
| CHEMBL477121 | 355444 | 35 | None | None | None | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | |||
| 4410 | 6381 | 68 | None | -524 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 65015 | 6381 | 68 | None | -524 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 844 | 6381 | 68 | None | -524 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| CHEMBL18442 | 6381 | 68 | None | -524 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| DB06809 | 6381 | 68 | None | -524 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 4410 | 6381 | 68 | None | -524 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 65015 | 6381 | 68 | None | -524 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 844 | 6381 | 68 | None | -524 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| CHEMBL18442 | 6381 | 68 | None | -524 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| DB06809 | 6381 | 68 | None | -524 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 4410 | 6381 | 68 | None | -524 | 5 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 65015 | 6381 | 68 | None | -524 | 5 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 844 | 6381 | 68 | None | -524 | 5 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| CHEMBL18442 | 6381 | 68 | None | -524 | 5 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| DB06809 | 6381 | 68 | None | -524 | 5 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 483559 | 355444 | 35 | None | None | None | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | |||
| CHEMBL477121 | 355444 | 35 | None | None | None | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | |||
| 4410 | 6381 | 68 | None | -524 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 65015 | 6381 | 68 | None | -524 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 844 | 6381 | 68 | None | -524 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| CHEMBL18442 | 6381 | 68 | None | -524 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| DB06809 | 6381 | 68 | None | -524 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 172454759 | 388447 | 0 | None | None | None | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 747 | 16 | 2 | 6 | 7.4 | Cc1cc(C)n2c1C=C1C=C(CCC(=O)NCCCCCC(=O)NCCCc3c(CN(C)[C@H]4CCCc5cccnc54)ncc4ccccc34)C=[N+]1[B-]2(F)F | 10.1021/acs.jmedchem.3c00151 | |||
| CHEMBL5417064 | 388447 | 0 | None | None | None | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 747 | 16 | 2 | 6 | 7.4 | Cc1cc(C)n2c1C=C1C=C(CCC(=O)NCCCCCC(=O)NCCCc3c(CN(C)[C@H]4CCCc5cccnc54)ncc4ccccc34)C=[N+]1[B-]2(F)F | 10.1021/acs.jmedchem.3c00151 | |||
| 5708903 | 41936 | 6 | None | None | None | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 288 | 4 | 1 | 3 | 4.0 | COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1O | 10.1021/ml200017d | |||
| CHEMBL126657 | 41936 | 6 | None | None | None | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 288 | 4 | 1 | 3 | 4.0 | COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1O | 10.1021/ml200017d | |||
| 483559 | 355444 | 35 | None | None | None | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | |||
| CHEMBL477121 | 355444 | 35 | None | None | None | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | |||
| 483559 | 355444 | 35 | None | None | None | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | |||
| CHEMBL477121 | 355444 | 35 | None | None | None | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | |||
| 4410 | 6381 | 68 | None | -524 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 65015 | 6381 | 68 | None | -524 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 844 | 6381 | 68 | None | -524 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| CHEMBL18442 | 6381 | 68 | None | -524 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| DB06809 | 6381 | 68 | None | -524 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 483559 | 355444 | 35 | None | None | None | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | |||
| CHEMBL477121 | 355444 | 35 | None | None | None | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | |||
| 4410 | 6381 | 68 | None | -524 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 65015 | 6381 | 68 | None | -524 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 844 | 6381 | 68 | None | -524 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| CHEMBL18442 | 6381 | 68 | None | -524 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| DB06809 | 6381 | 68 | None | -524 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 4410 | 6381 | 68 | None | -524 | 5 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 65015 | 6381 | 68 | None | -524 | 5 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 844 | 6381 | 68 | None | -524 | 5 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| CHEMBL18442 | 6381 | 68 | None | -524 | 5 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| DB06809 | 6381 | 68 | None | -524 | 5 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 171347398 | 386746 | 0 | None | None | None | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 440 | 4 | 7 | 8 | -0.8 | C1CNCCNCCCN(CCC[C@H]2CNCCCNCCNCCCN2)CCNC1 | 10.1021/acs.jmedchem.6b01309 | |||
| CHEMBL5284797 | 386746 | 0 | None | None | None | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 440 | 4 | 7 | 8 | -0.8 | C1CNCCNCCCN(CCC[C@H]2CNCCCNCCNCCCN2)CCNC1 | 10.1021/acs.jmedchem.6b01309 | |||
| 465968 | 180057 | 9 | None | None | None | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 551 | 13 | 6 | 5 | 3.8 | C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccc(CNCc2ccccn2)cc1)c1cccc2ccccc12 | 10.1021/acs.jmedchem.6b01309 | |||
| CHEMBL2367715 | 180057 | 9 | None | None | None | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 551 | 13 | 6 | 5 | 3.8 | C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccc(CNCc2ccccn2)cc1)c1cccc2ccccc12 | 10.1021/acs.jmedchem.6b01309 | |||
| 461237 | 198997 | 0 | None | None | None | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 503 | 4 | 6 | 9 | -0.2 | c1cc(CN2CCCNCCNCCCNCC2)nc(CN2CCCNCCNCCCNCC2)c1 | 10.1021/acs.jmedchem.6b01309 | |||
| CHEMBL278054 | 198997 | 0 | None | None | None | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 503 | 4 | 6 | 9 | -0.2 | c1cc(CN2CCCNCCNCCCNCC2)nc(CN2CCCNCCNCCCNCC2)c1 | 10.1021/acs.jmedchem.6b01309 | |||
| 9892326 | 198984 | 0 | None | None | None | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 503 | 4 | 6 | 9 | -0.2 | c1cc(CN2CCCNCCNCCCNCC2)cc(CN2CCCNCCNCCCNCC2)n1 | 10.1021/acs.jmedchem.6b01309 | |||
| CHEMBL277955 | 198984 | 0 | None | None | None | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 503 | 4 | 6 | 9 | -0.2 | c1cc(CN2CCCNCCNCCCNCC2)cc(CN2CCCNCCNCCCNCC2)n1 | 10.1021/acs.jmedchem.6b01309 | |||
| 4410 | 6381 | 68 | None | -524 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 65015 | 6381 | 68 | None | -524 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 844 | 6381 | 68 | None | -524 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| CHEMBL18442 | 6381 | 68 | None | -524 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| DB06809 | 6381 | 68 | None | -524 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 172458784 | 388525 | 0 | None | None | None | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 966 | 17 | 3 | 10 | 10.1 | CC1(C)CN2C(CS/C(=N/[C@H]3CC[C@H](NC(=O)CCCCCNC(=O)COc4ccc(/C=C/C5=[N+]6C(=Cc7ccc(-c8cccs8)n7[B-]6(F)F)C=C5)cc4)CC3)NC3CCCCC3)=CSC2=N1 | 10.1021/acs.jmedchem.3c00151 | |||
| CHEMBL5418367 | 388525 | 0 | None | None | None | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 966 | 17 | 3 | 10 | 10.1 | CC1(C)CN2C(CS/C(=N/[C@H]3CC[C@H](NC(=O)CCCCCNC(=O)COc4ccc(/C=C/C5=[N+]6C(=Cc7ccc(-c8cccs8)n7[B-]6(F)F)C=C5)cc4)CC3)NC3CCCCC3)=CSC2=N1 | 10.1021/acs.jmedchem.3c00151 | |||
| 4410 | 6381 | 68 | None | -524 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 65015 | 6381 | 68 | None | -524 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 844 | 6381 | 68 | None | -524 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| CHEMBL18442 | 6381 | 68 | None | -524 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| DB06809 | 6381 | 68 | None | -524 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m704739200 | |||
| 483559 | 355444 | 35 | None | None | None | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | |||
| CHEMBL477121 | 355444 | 35 | None | None | None | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 410 | 6 | 4 | 6 | 1.7 | c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 | 10.1074/jbc.m704739200 | |||
| 4410 | 6381 | 68 | None | None | None | Rat | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | None | |||
| 65015 | 6381 | 68 | None | None | None | Rat | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | None | |||
| 844 | 6381 | 68 | None | None | None | Rat | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | None | |||
| CHEMBL18442 | 6381 | 68 | None | None | None | Rat | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | None | |||
| DB06809 | 6381 | 68 | None | None | None | Rat | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | None | |||
| 4410 | 6381 | 68 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | Guide to Pharmacology | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 16815309 | |||
| 65015 | 6381 | 68 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | Guide to Pharmacology | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 16815309 | |||
| 844 | 6381 | 68 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | Guide to Pharmacology | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 16815309 | |||
| CHEMBL18442 | 6381 | 68 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | Guide to Pharmacology | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 16815309 | |||
| DB06809 | 6381 | 68 | None | None | None | Human | 6.2 | pIC50 | = | 6.2 | Binding | Guide to Pharmacology | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 16815309 | |||
| 13423 | 2404 | 1 | None | None | None | Human | 8.5 | pIC50 | = | 8.5 | Binding | Guide to Pharmacology | 339 | 3 | 0 | 4 | 2.7 | O=C(N1CCN(CC1)C2CCN(CC2)C3=CC=CC=C3)C4=CC=CO4 | 38863440 | |||
| 171061356 | 2404 | 1 | None | None | None | Human | 8.5 | pIC50 | = | 8.5 | Binding | Guide to Pharmacology | 339 | 3 | 0 | 4 | 2.7 | O=C(N1CCN(CC1)C2CCN(CC2)C3=CC=CC=C3)C4=CC=CO4 | 38863440 | |||
| CHEMBL5564911 | 2404 | 1 | None | None | None | Human | 8.5 | pIC50 | = | 8.5 | Binding | Guide to Pharmacology | 339 | 3 | 0 | 4 | 2.7 | O=C(N1CCN(CC1)C2CCN(CC2)C3=CC=CC=C3)C4=CC=CO4 | 38863440 | |||
| 10146 | 2618 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | Guide to Pharmacology | 404 | 7 | 1 | 2 | 6.0 | Clc1ccccc1CN1CCC(CC1)CNCc1cccc(c1)c1ccccc1 | 30476826 | |||
| 137321154 | 2618 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | Guide to Pharmacology | 404 | 7 | 1 | 2 | 6.0 | Clc1ccccc1CN1CCC(CC1)CNCc1cccc(c1)c1ccccc1 | 30476826 | |||
| CHEMBL4596188 | 2618 | 0 | None | None | None | Human | 6.3 | pIC50 | = | 6.3 | Binding | Guide to Pharmacology | 404 | 7 | 1 | 2 | 6.0 | Clc1ccccc1CN1CCC(CC1)CNCc1cccc(c1)c1ccccc1 | 30476826 | |||
| 11256587 | 5001 | 42 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Binding | Guide to Pharmacology | 349 | 7 | 2 | 4 | 3.6 | NCCCCN([C@H]1CCCc2c1nccc2)Cc1nc2c([nH]1)cccc2 | 20297846 | |||
| 8580 | 5001 | 42 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Binding | Guide to Pharmacology | 349 | 7 | 2 | 4 | 3.6 | NCCCCN([C@H]1CCCc2c1nccc2)Cc1nc2c([nH]1)cccc2 | 20297846 | |||
| CHEMBL518924 | 5001 | 42 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Binding | Guide to Pharmacology | 349 | 7 | 2 | 4 | 3.6 | NCCCCN([C@H]1CCCc2c1nccc2)Cc1nc2c([nH]1)cccc2 | 20297846 | |||
| DB05501 | 5001 | 42 | None | None | None | Human | 7.9 | pIC50 | = | 7.9 | Binding | Guide to Pharmacology | 349 | 7 | 2 | 4 | 3.6 | NCCCCN([C@H]1CCCc2c1nccc2)Cc1nc2c([nH]1)cccc2 | 20297846 | |||
| 10679 | 5300 | 0 | None | None | None | Human | 9.0 | pIC50 | = | 9.0 | Binding | Guide to Pharmacology | 2158 | 49 | 34 | 27 | -4.9 | NCCCC[C@@H]1NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](NC1=O)CCCCN)CCC2)Cc1ccc(cc1)O)CCCNC(=N)N)CCCNC(=O)N)C(=O)N[C@H](C(=O)N)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1ccc(cc1)F)CCCNC(=N)N)CCCNC(=N)N)Cc1ccc2c(c1)cccc2 | 14649897 | |||
| 166625217 | 5300 | 0 | None | None | None | Human | 9.0 | pIC50 | = | 9.0 | Binding | Guide to Pharmacology | 2158 | 49 | 34 | 27 | -4.9 | NCCCC[C@@H]1NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](NC1=O)CCCCN)CCC2)Cc1ccc(cc1)O)CCCNC(=N)N)CCCNC(=O)N)C(=O)N[C@H](C(=O)N)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1ccc(cc1)F)CCCNC(=N)N)CCCNC(=N)N)Cc1ccc2c(c1)cccc2 | 14649897 | |||
| 91865076 | 5300 | 0 | None | None | None | Human | 9.0 | pIC50 | = | 9.0 | Binding | Guide to Pharmacology | 2158 | 49 | 34 | 27 | -4.9 | NCCCC[C@@H]1NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](NC1=O)CCCCN)CCC2)Cc1ccc(cc1)O)CCCNC(=N)N)CCCNC(=O)N)C(=O)N[C@H](C(=O)N)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1ccc(cc1)F)CCCNC(=N)N)CCCNC(=N)N)Cc1ccc2c(c1)cccc2 | 14649897 | |||
| CHEMBL5095030 | 5300 | 0 | None | None | None | Human | 9.0 | pIC50 | = | 9.0 | Binding | Guide to Pharmacology | 2158 | 49 | 34 | 27 | -4.9 | NCCCC[C@@H]1NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](NC1=O)CCCCN)CCC2)Cc1ccc(cc1)O)CCCNC(=N)N)CCCNC(=O)N)C(=O)N[C@H](C(=O)N)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1ccc(cc1)F)CCCNC(=N)N)CCCNC(=N)N)Cc1ccc2c(c1)cccc2 | 14649897 | |||
| DB14939 | 5300 | 0 | None | None | None | Human | 9.0 | pIC50 | = | 9.0 | Binding | Guide to Pharmacology | 2158 | 49 | 34 | 27 | -4.9 | NCCCC[C@@H]1NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](NC1=O)CCCCN)CCC2)Cc1ccc(cc1)O)CCCNC(=N)N)CCCNC(=O)N)C(=O)N[C@H](C(=O)N)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1ccc(cc1)F)CCCNC(=N)N)CCCNC(=N)N)Cc1ccc2c(c1)cccc2 | 14649897 | |||
| 4358 | 2560 | 0 | None | None | None | Human | 9.3 | pIC50 | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 30476826 | |||||
| P48061 | 2560 | 0 | None | None | None | Human | 9.3 | pIC50 | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 30476826 | |||||
| 849 | 7629 | 0 | None | None | None | Human | 7.5 | pKd | = | 7.5 | Binding | Guide to Pharmacology | None | None | None | None | 18768385 | |||||
| 8534 | 2574 | 0 | None | None | None | Human | 7.8 | pKd | = | 7.8 | Binding | Guide to Pharmacology | None | None | None | None | 21990345 | |||||
| 845 | 2562 | 0 | None | None | None | Human | 7.9 | pKd | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 9551924 | |||||
| P48061 | 2562 | 0 | None | None | None | Human | 7.9 | pKd | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 9551924 | |||||
| 4358 | 2560 | 0 | None | None | None | Human | 8.0 | pKd | = | 8.0 | Binding | Guide to Pharmacology | None | None | None | None | 9551924 | |||||
| 4358 | 2560 | 0 | None | None | None | Human | 8.0 | pKd | = | 8.0 | Binding | Guide to Pharmacology | None | None | None | None | 9712844 | |||||
| P48061 | 2560 | 0 | None | None | None | Human | 8.0 | pKd | = | 8.0 | Binding | Guide to Pharmacology | None | None | None | None | 9551924 | |||||
| P48061 | 2560 | 0 | None | None | None | Human | 8.0 | pKd | = | 8.0 | Binding | Guide to Pharmacology | None | None | None | None | 9712844 | |||||
| 8536 | 7244 | 0 | None | None | None | Human | 8.1 | pKd | = | 8.1 | Binding | Guide to Pharmacology | None | None | None | None | 9384579 | |||||
| 849 | 7629 | 0 | None | None | None | Human | 8.3 | pKd | = | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 11104827 | |||||
| 849 | 7629 | 0 | None | None | None | Human | 8.3 | pKd | = | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 9551924 | |||||
| 8535 | 2572 | 0 | None | None | None | Human | 6.0 | pKd | > | 6 | Binding | Guide to Pharmacology | None | None | None | None | 21990345 | |||||
| 850 | 7630 | 0 | None | None | None | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 9551924 | |||||
| 4410 | 6381 | 68 | None | -524 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | None | |||
| 65015 | 6381 | 68 | None | -524 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | None | |||
| 844 | 6381 | 68 | None | -524 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | None | |||
| CHEMBL18442 | 6381 | 68 | None | -524 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | None | |||
| DB06809 | 6381 | 68 | None | -524 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | None | |||
| 11256587 | 5001 | 42 | None | None | None | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 349 | 7 | 2 | 4 | 3.6 | NCCCCN([C@H]1CCCc2c1nccc2)Cc1nc2c([nH]1)cccc2 | 18768385 | |||
| 8580 | 5001 | 42 | None | None | None | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 349 | 7 | 2 | 4 | 3.6 | NCCCCN([C@H]1CCCc2c1nccc2)Cc1nc2c([nH]1)cccc2 | 18768385 | |||
| CHEMBL518924 | 5001 | 42 | None | None | None | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 349 | 7 | 2 | 4 | 3.6 | NCCCCN([C@H]1CCCc2c1nccc2)Cc1nc2c([nH]1)cccc2 | 18768385 | |||
| DB05501 | 5001 | 42 | None | None | None | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 349 | 7 | 2 | 4 | 3.6 | NCCCCN([C@H]1CCCc2c1nccc2)Cc1nc2c([nH]1)cccc2 | 18768385 | |||
| 4410 | 6381 | 68 | None | -524 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 30476826 | |||
| 65015 | 6381 | 68 | None | -524 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 30476826 | |||
| 844 | 6381 | 68 | None | -524 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 30476826 | |||
| CHEMBL18442 | 6381 | 68 | None | -524 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 30476826 | |||
| DB06809 | 6381 | 68 | None | -524 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 30476826 | |||
| 4410 | 6381 | 68 | None | -524 | 5 | Human | 7.0 | pKi | = | 7 | Binding | Guide to Pharmacology | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 11923301 | |||
| 65015 | 6381 | 68 | None | -524 | 5 | Human | 7.0 | pKi | = | 7 | Binding | Guide to Pharmacology | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 11923301 | |||
| 844 | 6381 | 68 | None | -524 | 5 | Human | 7.0 | pKi | = | 7 | Binding | Guide to Pharmacology | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 11923301 | |||
| CHEMBL18442 | 6381 | 68 | None | -524 | 5 | Human | 7.0 | pKi | = | 7 | Binding | Guide to Pharmacology | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 11923301 | |||
| DB06809 | 6381 | 68 | None | -524 | 5 | Human | 7.0 | pKi | = | 7 | Binding | Guide to Pharmacology | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 11923301 | |||
| 5273315 | 2556 | 0 | None | None | None | Human | 4.9 | pKi | None | 4.9 | Binding | Guide to Pharmacology | 1052 | 32 | 16 | 16 | -4.5 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CS)C(=O)O | 9712844 | |||
| 847 | 2556 | 0 | None | None | None | Human | 4.9 | pKi | None | 4.9 | Binding | Guide to Pharmacology | 1052 | 32 | 16 | 16 | -4.5 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CS)C(=O)O | 9712844 | |||
| 851 | 7242 | 0 | None | None | None | Human | 5.6 | pKi | None | 5.6 | Binding | Guide to Pharmacology | None | None | None | None | 9712844 | |||||
| 155817384 | 2554 | 0 | None | None | None | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 2055 | 62 | 29 | 29 | -7.8 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O | 9712844 | |||
| 846 | 2554 | 0 | None | None | None | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 2055 | 62 | 29 | 29 | -7.8 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O | 9712844 | |||
| 848 | 2558 | 0 | None | None | None | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | None | None | None | None | 9712844 | |||||