Ligand source activities (1 row/activity)
| Ligands | Receptor | Assay information | Chemical information | ||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sel. page | Common name |
GPCRdb ID | #Vendors | Reference ligand |
Fold selectivity (Potency) |
# tested GPCRs (Potency) |
Species | p-value (-log) |
Type | Activity Relation |
Activity Value |
Assay Type | Assay Description | Source | Mol weight |
Rot Bonds |
H don | H acc | LogP | Smiles | DOI |
| 15931130 | 108758 | 0 | None | 1000 | 2 | Rat | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 737 | 21 | 6 | 8 | 1.4 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN)C(N)=O | 10.1021/jm00169a003 | ||
| CHEMBL301477 | 108758 | 0 | None | 1000 | 2 | Rat | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 737 | 21 | 6 | 8 | 1.4 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN)C(N)=O | 10.1021/jm00169a003 | ||
| 44297866 | 108821 | 0 | None | 38 | 2 | Rat | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 723 | 21 | 6 | 8 | 1.0 | CSCC[C@H](NC(=O)[C@@H](CC(C)C)N1CCC(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCN)C1=O)C(N)=O | 10.1021/jm00169a003 | ||
| CHEMBL301841 | 108821 | 0 | None | 38 | 2 | Rat | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 723 | 21 | 6 | 8 | 1.0 | CSCC[C@H](NC(=O)[C@@H](CC(C)C)N1CCC(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCN)C1=O)C(N)=O | 10.1021/jm00169a003 | ||
| 2089 | 9542 | 28 | None | -3 | 8 | Rat | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm900671k | ||||
| 3795 | 9542 | 28 | None | -3 | 8 | Rat | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm900671k | ||||
| 5311311 | 9542 | 28 | None | -3 | 8 | Rat | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm900671k | ||||
| CHEMBL217406 | 9542 | 28 | None | -3 | 8 | Rat | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm900671k | ||||
| 2098 | 10466 | 36 | None | -63 | 11 | Rat | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00169a003 | ||||
| 36511 | 10466 | 36 | None | -63 | 11 | Rat | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00169a003 | ||||
| 3805 | 10466 | 36 | None | -63 | 11 | Rat | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00169a003 | ||||
| 3835 | 10466 | 36 | None | -63 | 11 | Rat | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00169a003 | ||||
| CHEMBL235363 | 10466 | 36 | None | -63 | 11 | Rat | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00169a003 | ||||
| 44355179 | 31120 | 0 | None | 33 | 2 | Rat | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 962 | 30 | 11 | 13 | -2.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CCC(NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(C)=O)C(C)C)C1=O)C(N)=O | 10.1021/jm00100a027 | ||
| CHEMBL134091 | 31120 | 0 | None | 33 | 2 | Rat | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 962 | 30 | 11 | 13 | -2.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CCC(NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(C)=O)C(C)C)C1=O)C(N)=O | 10.1021/jm00100a027 | ||
| 2089 | 9542 | 28 | None | -3 | 8 | Rat | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00100a027 | ||||
| 3795 | 9542 | 28 | None | -3 | 8 | Rat | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00100a027 | ||||
| 5311311 | 9542 | 28 | None | -3 | 8 | Rat | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00100a027 | ||||
| CHEMBL217406 | 9542 | 28 | None | -3 | 8 | Rat | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00100a027 | ||||
| 73356363 | 96279 | 0 | None | -9 | 2 | Rat | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 711 | 22 | 7 | 8 | 0.9 | CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN)C(N)=O | 10.1021/jm00169a003 | ||
| CHEMBL2372949 | 96279 | 0 | None | -9 | 2 | Rat | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 711 | 22 | 7 | 8 | 0.9 | CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN)C(N)=O | 10.1021/jm00169a003 | ||
| 10055612 | 103200 | 0 | None | -31 | 3 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 711 | 23 | 7 | 8 | 0.9 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN)C(N)=O | 10.1021/jm00100a027 | ||
| CHEMBL262049 | 103200 | 0 | None | -31 | 3 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 711 | 23 | 7 | 8 | 0.9 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN)C(N)=O | 10.1021/jm00100a027 | ||
| 10327810 | 123514 | 0 | None | 31 | 2 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 763 | 21 | 5 | 8 | 1.8 | CSCC[C@H](NC(=O)[C@H](CC(C)C)N1C[C@@H]2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)CCCCN)[C@@H]2C1=O)C(N)=O | 10.1021/jm00100a027 | ||
| CHEMBL337465 | 123514 | 0 | None | 31 | 2 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 763 | 21 | 5 | 8 | 1.8 | CSCC[C@H](NC(=O)[C@H](CC(C)C)N1C[C@@H]2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)CCCCN)[C@@H]2C1=O)C(N)=O | 10.1021/jm00100a027 | ||
| 10259515 | 163916 | 0 | None | -954 | 2 | Rat | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 751 | 22 | 6 | 8 | 1.8 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN)C(N)=O | 10.1021/jm00100a027 | ||
| CHEMBL407511 | 163916 | 0 | None | -954 | 2 | Rat | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 751 | 22 | 6 | 8 | 1.8 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN)C(N)=O | 10.1021/jm00100a027 | ||
| 44355678 | 30261 | 0 | None | -4 | 2 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 777 | 21 | 5 | 8 | 2.3 | CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CC[C@]2(CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCCN)C1=O)C(N)=O | 10.1021/jm00100a027 | ||
| CHEMBL133362 | 30261 | 0 | None | -4 | 2 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 777 | 21 | 5 | 8 | 2.3 | CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CC[C@]2(CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCCN)C1=O)C(N)=O | 10.1021/jm00100a027 | ||
| 10462850 | 31035 | 0 | None | 36 | 2 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 763 | 21 | 5 | 8 | 1.8 | CSCC[C@H](NC(=O)[C@H](CC(C)C)N1C[C@H]2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)CCCCN)[C@H]2C1=O)C(N)=O | 10.1021/jm00100a027 | ||
| CHEMBL134012 | 31035 | 0 | None | 36 | 2 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 763 | 21 | 5 | 8 | 1.8 | CSCC[C@H](NC(=O)[C@H](CC(C)C)N1C[C@H]2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)CCCCN)[C@H]2C1=O)C(N)=O | 10.1021/jm00100a027 | ||
| 2098 | 10466 | 36 | None | -63 | 11 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00100a027 | ||||
| 36511 | 10466 | 36 | None | -63 | 11 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00100a027 | ||||
| 3805 | 10466 | 36 | None | -63 | 11 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00100a027 | ||||
| 3835 | 10466 | 36 | None | -63 | 11 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00100a027 | ||||
| CHEMBL235363 | 10466 | 36 | None | -63 | 11 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00100a027 | ||||
| 2098 | 10466 | 36 | None | -63 | 11 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00169a003 | ||||
| 36511 | 10466 | 36 | None | -63 | 11 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00169a003 | ||||
| 3805 | 10466 | 36 | None | -63 | 11 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00169a003 | ||||
| 3835 | 10466 | 36 | None | -63 | 11 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00169a003 | ||||
| CHEMBL235363 | 10466 | 36 | None | -63 | 11 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00169a003 | ||||
| 73348740 | 96281 | 0 | None | -51 | 2 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 737 | 21 | 6 | 8 | 1.4 | CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN)C(N)=O | 10.1021/jm00169a003 | ||
| CHEMBL2372953 | 96281 | 0 | None | -51 | 2 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 737 | 21 | 6 | 8 | 1.4 | CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN)C(N)=O | 10.1021/jm00169a003 | ||
| 44297675 | 107396 | 0 | None | 47 | 2 | Rat | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 711 | 22 | 7 | 8 | 0.9 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN)C(N)=O | 10.1021/jm00169a003 | ||
| CHEMBL291903 | 107396 | 0 | None | 47 | 2 | Rat | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 711 | 22 | 7 | 8 | 0.9 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN)C(N)=O | 10.1021/jm00169a003 | ||
| 10395375 | 123435 | 0 | None | 2 | 2 | Rat | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 763 | 21 | 5 | 8 | 1.8 | CSCC[C@H](NC(=O)[C@@H](CC(C)C)N1C[C@H]2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)CCCCN)[C@H]2C1=O)C(N)=O | 10.1021/jm00100a027 | ||
| CHEMBL337037 | 123435 | 0 | None | 2 | 2 | Rat | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 763 | 21 | 5 | 8 | 1.8 | CSCC[C@H](NC(=O)[C@@H](CC(C)C)N1C[C@H]2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)CCCCN)[C@H]2C1=O)C(N)=O | 10.1021/jm00100a027 | ||
| 2090 | 9543 | 25 | None | -6 | 9 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00100a027 | ||||
| 5311312 | 9543 | 25 | None | -6 | 9 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00100a027 | ||||
| CHEMBL437797 | 9543 | 25 | None | -6 | 9 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00100a027 | ||||
| CHEMBL335054 | 218259 | 0 | None | 20 | 3 | Rat | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCCN)C(C)C)C(N)=O | 10.1021/jm00100a027 | ||||
| 5311135 | 28495 | 12 | None | 316 | 3 | Rat | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 920 | 29 | 11 | 13 | -2.4 | CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CCC(NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCCN)C(C)C)C1=O)C(N)=O | 10.1021/jm00100a027 | ||
| CHEMBL131872 | 28495 | 12 | None | 316 | 3 | Rat | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 920 | 29 | 11 | 13 | -2.4 | CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CCC(NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCCN)C(C)C)C1=O)C(N)=O | 10.1021/jm00100a027 | ||
| CHEMBL134481 | 215508 | 0 | None | 1 | 3 | Rat | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1021/jm00100a027 | ||||
| 44355648 | 103899 | 0 | None | 22 | 3 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 994 | 29 | 10 | 13 | -1.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CC2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCCN)C2C1=O)C(N)=O | 10.1021/jm00100a027 | ||
| CHEMBL267712 | 103899 | 0 | None | 22 | 3 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 994 | 29 | 10 | 13 | -1.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CC2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCCN)C2C1=O)C(N)=O | 10.1021/jm00100a027 | ||
| 10350201 | 123939 | 0 | None | 6 | 2 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 763 | 21 | 5 | 8 | 1.8 | CSCC[C@H](NC(=O)[C@@H](CC(C)C)N1C[C@@H]2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)CCCCN)[C@@H]2C1=O)C(N)=O | 10.1021/jm00100a027 | ||
| CHEMBL339391 | 123939 | 0 | None | 6 | 2 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 763 | 21 | 5 | 8 | 1.8 | CSCC[C@H](NC(=O)[C@@H](CC(C)C)N1C[C@@H]2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)CCCCN)[C@@H]2C1=O)C(N)=O | 10.1021/jm00100a027 | ||
| 44355117 | 28560 | 0 | None | 19 | 3 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 946 | 28 | 10 | 13 | -2.1 | CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CC2CCN(C(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCCN)C(C)C)C2C1=O)C(N)=O | 10.1021/jm00100a027 | ||
| CHEMBL131923 | 28560 | 0 | None | 19 | 3 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 946 | 28 | 10 | 13 | -2.1 | CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CC2CCN(C(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCCN)C(C)C)C2C1=O)C(N)=O | 10.1021/jm00100a027 | ||
| 44297786 | 108486 | 0 | None | - | 1 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 723 | 21 | 6 | 8 | 1.0 | CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CCC(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCN)C1=O)C(N)=O | 10.1021/jm00169a003 | ||
| CHEMBL299503 | 108486 | 0 | None | - | 1 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 723 | 21 | 6 | 8 | 1.0 | CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CCC(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCN)C1=O)C(N)=O | 10.1021/jm00169a003 | ||
| 44355368 | 32413 | 0 | None | 1 | 3 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 737 | 22 | 6 | 8 | 1.4 | CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CCC(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCCN)C1=O)C(N)=O | 10.1021/jm00100a027 | ||
| CHEMBL135186 | 32413 | 0 | None | 1 | 3 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 737 | 22 | 6 | 8 | 1.4 | CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CCC(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCCN)C1=O)C(N)=O | 10.1021/jm00100a027 | ||
| 2089 | 9542 | 28 | None | -3 | 8 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm900671k | ||||
| 3795 | 9542 | 28 | None | -3 | 8 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm900671k | ||||
| 5311311 | 9542 | 28 | None | -3 | 8 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm900671k | ||||
| CHEMBL217406 | 9542 | 28 | None | -3 | 8 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm900671k | ||||
| 15931129 | 201757 | 0 | None | -1 | 2 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 697 | 22 | 7 | 8 | 0.6 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN)C(N)=O | 10.1021/jm00169a003 | ||
| CHEMBL54622 | 201757 | 0 | None | -1 | 2 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 697 | 22 | 7 | 8 | 0.6 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN)C(N)=O | 10.1021/jm00169a003 | ||
| 44297852 | 105783 | 0 | None | 7 | 2 | Rat | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 763 | 20 | 5 | 8 | 1.9 | CSCC[C@H](NC(=O)[C@@H](CC(C)C)N1CCC2(CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCN)C1=O)C(N)=O | 10.1021/jm00169a003 | ||
| CHEMBL280020 | 105783 | 0 | None | 7 | 2 | Rat | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 763 | 20 | 5 | 8 | 1.9 | CSCC[C@H](NC(=O)[C@@H](CC(C)C)N1CCC2(CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCN)C1=O)C(N)=O | 10.1021/jm00169a003 | ||
| 11765601 | 103199 | 0 | None | 9 | 2 | Rat | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 751 | 22 | 6 | 8 | 1.8 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN)C(N)=O | 10.1021/jm00100a027 | ||
| CHEMBL262048 | 103199 | 0 | None | 9 | 2 | Rat | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 751 | 22 | 6 | 8 | 1.8 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN)C(N)=O | 10.1021/jm00100a027 | ||
| 10009596 | 122287 | 0 | None | -1 | 2 | Rat | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 663 | 22 | 7 | 8 | 0.4 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN)C(C)C)C(N)=O | 10.1021/jm00100a027 | ||
| CHEMBL335248 | 122287 | 0 | None | -1 | 2 | Rat | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 663 | 22 | 7 | 8 | 0.4 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN)C(C)C)C(N)=O | 10.1021/jm00100a027 | ||
| 145953024 | 169369 | 0 | None | -4 | 5 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 886 | 20 | 2 | 10 | 3.4 | CC[C@H](C)[C@@H](OC(=O)/C=C/c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC | 10.1021/acs.jmedchem.8b00885 | ||
| CHEMBL4168948 | 169369 | 0 | None | -4 | 5 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 886 | 20 | 2 | 10 | 3.4 | CC[C@H](C)[C@@H](OC(=O)/C=C/c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC | 10.1021/acs.jmedchem.8b00885 | ||
| 145952624 | 169164 | 0 | None | -1 | 4 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 889 | 21 | 2 | 10 | 3.3 | CC[C@H](C)[C@@H](OC(=O)CCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC | 10.1021/acs.jmedchem.8b00885 | ||
| CHEMBL4165525 | 169164 | 0 | None | -1 | 4 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 889 | 21 | 2 | 10 | 3.3 | CC[C@H](C)[C@@H](OC(=O)CCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC | 10.1021/acs.jmedchem.8b00885 | ||
| 10917690 | 214384 | 1 | None | -645 | 4 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 471 | 8 | 0 | 5 | 5.4 | COc1ccc(CCN2CCC(C(=O)c3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 | 10.1016/S0960-894X(97)10097-X | ||
| CHEMBL95051 | 214384 | 1 | None | -645 | 4 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 471 | 8 | 0 | 5 | 5.4 | COc1ccc(CCN2CCC(C(=O)c3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 | 10.1016/S0960-894X(97)10097-X | ||
| 145957924 | 168872 | 0 | None | -1 | 4 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 886 | 20 | 2 | 10 | 3.4 | CC[C@H](C)[C@@H](OC(=O)/C=C\c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC | 10.1021/acs.jmedchem.8b00885 | ||
| CHEMBL4161021 | 168872 | 0 | None | -1 | 4 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 886 | 20 | 2 | 10 | 3.4 | CC[C@H](C)[C@@H](OC(=O)/C=C\c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC | 10.1021/acs.jmedchem.8b00885 | ||
| CHEMBL412740 | 219800 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1ccc(/N=C(\S)Cc2ccccc2)cc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCS)C(N)=O | 10.1016/S0960-894X(97)00088-7 | ||||
| 145958767 | 169034 | 0 | None | 1 | 3 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 932 | 22 | 2 | 11 | 2.8 | CC[C@H](C)[C@@H](OC(=O)[C@H](Cc1ccccc1)N(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC | 10.1021/acs.jmedchem.8b00885 | ||
| CHEMBL4163618 | 169034 | 0 | None | 1 | 3 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 932 | 22 | 2 | 11 | 2.8 | CC[C@H](C)[C@@H](OC(=O)[C@H](Cc1ccccc1)N(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC | 10.1021/acs.jmedchem.8b00885 | ||
| 2089 | 9542 | 28 | None | -3 | 8 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1016/S0960-894X(97)00088-7 | ||||
| 3795 | 9542 | 28 | None | -3 | 8 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1016/S0960-894X(97)00088-7 | ||||
| 5311311 | 9542 | 28 | None | -3 | 8 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1016/S0960-894X(97)00088-7 | ||||
| CHEMBL217406 | 9542 | 28 | None | -3 | 8 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1016/S0960-894X(97)00088-7 | ||||
| CHEMBL264972 | 217412 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1ccc(NC(=S)c2ccccc2)cc1)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCS)C(N)=O | 10.1016/S0960-894X(97)00088-7 | ||||
| 153996 | 119445 | 2 | None | -2 | 6 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 639 | 10 | 1 | 6 | 5.7 | COc1cc(C(=O)N2CC[C@](CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC | 10.1016/S0960-894X(97)10097-X | ||
| CHEMBL330366 | 119445 | 2 | None | -2 | 6 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 639 | 10 | 1 | 6 | 5.7 | COc1cc(C(=O)N2CC[C@](CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC | 10.1016/S0960-894X(97)10097-X | ||
| CHEMBL539021 | 119445 | 2 | None | -2 | 6 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 639 | 10 | 1 | 6 | 5.7 | COc1cc(C(=O)N2CC[C@](CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC | 10.1016/S0960-894X(97)10097-X | ||
| 44392439 | 175154 | 0 | None | - | 1 | Rabbit | 10.1 | pKd | = | 10.1 | Functional | ChEMBL | 557 | 7 | 1 | 4 | 5.2 | O=C1CC[C@](CCN2CC(N3CCC(O)CC3)C2)(c2ccc(Cl)c(Cl)c2)CN1CC1CCC(F)(F)CC1 | 10.1016/j.bmcl.2005.05.134 | ||
| CHEMBL434548 | 175154 | 0 | None | - | 1 | Rabbit | 10.1 | pKd | = | 10.1 | Functional | ChEMBL | 557 | 7 | 1 | 4 | 5.2 | O=C1CC[C@](CCN2CC(N3CCC(O)CC3)C2)(c2ccc(Cl)c(Cl)c2)CN1CC1CCC(F)(F)CC1 | 10.1016/j.bmcl.2005.05.134 | ||
| 11433617 | 13543 | 0 | None | - | 0 | Human | 9.7 | pKd | = | 9.7 | Functional | ChEMBL | 630 | 12 | 2 | 6 | 5.8 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(CC5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| CHEMBL1083850 | 13543 | 0 | None | - | 0 | Human | 9.7 | pKd | = | 9.7 | Functional | ChEMBL | 630 | 12 | 2 | 6 | 5.8 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(CC5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| 44392392 | 136951 | 0 | None | - | 1 | Rabbit | 9.7 | pKd | = | 9.7 | Functional | ChEMBL | 555 | 7 | 0 | 4 | 5.4 | O=C1CCN(C2CN(CC[C@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CCC(F)(F)CC4)C3)C2)CC1 | 10.1016/j.bmcl.2005.05.134 | ||
| CHEMBL367815 | 136951 | 0 | None | - | 1 | Rabbit | 9.7 | pKd | = | 9.7 | Functional | ChEMBL | 555 | 7 | 0 | 4 | 5.4 | O=C1CCN(C2CN(CC[C@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CCC(F)(F)CC4)C3)C2)CC1 | 10.1016/j.bmcl.2005.05.134 | ||
| 44392491 | 175089 | 0 | None | - | 1 | Rabbit | 9.7 | pKd | = | 9.7 | Functional | ChEMBL | 556 | 7 | 1 | 4 | 5.2 | NC1CCN(C2CN(CC[C@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CCC(F)(F)CC4)C3)C2)CC1 | 10.1016/j.bmcl.2005.05.134 | ||
| CHEMBL434142 | 175089 | 0 | None | - | 1 | Rabbit | 9.7 | pKd | = | 9.7 | Functional | ChEMBL | 556 | 7 | 1 | 4 | 5.2 | NC1CCN(C2CN(CC[C@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CCC(F)(F)CC4)C3)C2)CC1 | 10.1016/j.bmcl.2005.05.134 | ||
| 44392318 | 129321 | 0 | None | - | 0 | Rabbit | 9.6 | pKd | = | 9.6 | Functional | ChEMBL | 519 | 7 | 0 | 4 | 5.0 | O=C1CC[C@](CCN2CC(N3CCOCC3)C2)(c2ccc(Cl)c(Cl)c2)CN1C1(C2CC2)CCCC1 | 10.1016/j.bmcl.2005.05.134 | ||
| CHEMBL360134 | 129321 | 0 | None | - | 0 | Rabbit | 9.6 | pKd | = | 9.6 | Functional | ChEMBL | 519 | 7 | 0 | 4 | 5.0 | O=C1CC[C@](CCN2CC(N3CCOCC3)C2)(c2ccc(Cl)c(Cl)c2)CN1C1(C2CC2)CCCC1 | 10.1016/j.bmcl.2005.05.134 | ||
| 44346720 | 121613 | 0 | None | - | 0 | Golden hamster | 9.3 | pKd | = | 9.3 | Functional | ChEMBL | 849 | 14 | 9 | 8 | 1.8 | CC(C)C[C@@H]1CN[C@@H](CCC(=O)NCc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N1 | 10.1021/jm00047a020 | ||
| CHEMBL334186 | 121613 | 0 | None | - | 0 | Golden hamster | 9.3 | pKd | = | 9.3 | Functional | ChEMBL | 849 | 14 | 9 | 8 | 1.8 | CC(C)C[C@@H]1CN[C@@H](CCC(=O)NCc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N1 | 10.1021/jm00047a020 | ||
| 71452717 | 85673 | 0 | None | - | 0 | Rabbit | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 678 | 7 | 5 | 6 | 1.6 | O=C1CC(C(=O)N2CCOCC2)C(=O)NC[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1016/s0960-894x(01)00841-1 | ||
| CHEMBL2112925 | 85673 | 0 | None | - | 0 | Rabbit | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 678 | 7 | 5 | 6 | 1.6 | O=C1CC(C(=O)N2CCOCC2)C(=O)NC[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1016/s0960-894x(01)00841-1 | ||
| 9959481 | 71993 | 0 | None | - | 1 | Human | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 559 | 7 | 0 | 3 | 6.2 | O=C1CC[C@](CCN2CC(N3CCC(F)CC3)C2)(c2ccc(Cl)c(Cl)c2)CN1CC1CCC(F)(F)CC1 | 10.1016/j.bmcl.2005.05.134 | ||
| CHEMBL182600 | 71993 | 0 | None | - | 1 | Human | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 559 | 7 | 0 | 3 | 6.2 | O=C1CC[C@](CCN2CC(N3CCC(F)CC3)C2)(c2ccc(Cl)c(Cl)c2)CN1CC1CCC(F)(F)CC1 | 10.1016/j.bmcl.2005.05.134 | ||
| 71449111 | 85670 | 0 | None | - | 0 | Rabbit | 9.1 | pKd | = | 9.1 | Functional | ChEMBL | 759 | 8 | 5 | 6 | 3.3 | O=C1CC(C(=O)N2CCC(N3CCCCC3)CC2)C(=O)NC[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1016/s0960-894x(01)00841-1 | ||
| CHEMBL2112922 | 85670 | 0 | None | - | 0 | Rabbit | 9.1 | pKd | = | 9.1 | Functional | ChEMBL | 759 | 8 | 5 | 6 | 3.3 | O=C1CC(C(=O)N2CCC(N3CCCCC3)CC2)C(=O)NC[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1016/s0960-894x(01)00841-1 | ||
| 44346727 | 174947 | 0 | None | - | 0 | Golden hamster | 9.1 | pKd | = | 9.1 | Functional | ChEMBL | 784 | 11 | 8 | 7 | 2.7 | CC(C)C[C@@H]1CN[C@@H](CC2CCCCC2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N1 | 10.1021/jm00047a020 | ||
| CHEMBL433191 | 174947 | 0 | None | - | 0 | Golden hamster | 9.1 | pKd | = | 9.1 | Functional | ChEMBL | 784 | 11 | 8 | 7 | 2.7 | CC(C)C[C@@H]1CN[C@@H](CC2CCCCC2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N1 | 10.1021/jm00047a020 | ||
| 44374427 | 61567 | 0 | None | - | 0 | Rabbit | 9.0 | pKd | = | 9 | Functional | ChEMBL | 765 | 12 | 6 | 8 | 0.9 | O=C1CC(C(=O)N2CCN(CCOCCO)CC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1016/s0960-894x(01)00841-1 | ||
| CHEMBL161242 | 61567 | 0 | None | - | 0 | Rabbit | 9.0 | pKd | = | 9 | Functional | ChEMBL | 765 | 12 | 6 | 8 | 0.9 | O=C1CC(C(=O)N2CCN(CCOCCO)CC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1016/s0960-894x(01)00841-1 | ||
| 71458042 | 85671 | 0 | None | - | 0 | Rabbit | 9.0 | pKd | = | 9 | Functional | ChEMBL | 692 | 8 | 5 | 6 | 2.0 | O=C1C[C@@H](CC(=O)N2CCOCC2)C(=O)NC[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1016/s0960-894x(01)00841-1 | ||
| CHEMBL2112923 | 85671 | 0 | None | - | 0 | Rabbit | 9.0 | pKd | = | 9 | Functional | ChEMBL | 692 | 8 | 5 | 6 | 2.0 | O=C1C[C@@H](CC(=O)N2CCOCC2)C(=O)NC[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1016/s0960-894x(01)00841-1 | ||
| 44392351 | 73176 | 0 | None | - | 1 | Rabbit | 9.0 | pKd | = | 9 | Functional | ChEMBL | 620 | 8 | 0 | 5 | 4.3 | CS(=O)(=O)N1CCN(C2CN(CC[C@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CCC(F)(F)CC4)C3)C2)CC1 | 10.1016/j.bmcl.2005.05.134 | ||
| CHEMBL185182 | 73176 | 0 | None | - | 1 | Rabbit | 9.0 | pKd | = | 9 | Functional | ChEMBL | 620 | 8 | 0 | 5 | 4.3 | CS(=O)(=O)N1CCN(C2CN(CC[C@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CCC(F)(F)CC4)C3)C2)CC1 | 10.1016/j.bmcl.2005.05.134 | ||
| 10929285 | 73483 | 0 | None | - | 1 | Rabbit | 9.0 | pKd | = | 9 | Functional | ChEMBL | 507 | 7 | 0 | 4 | 4.8 | O=C1CC[C@](CCN2CC(N3CCOCC3)C2)(c2ccc(Cl)c(Cl)c2)CN1CC1CCCCC1 | 10.1016/j.bmcl.2005.05.134 | ||
| CHEMBL185572 | 73483 | 0 | None | - | 1 | Rabbit | 9.0 | pKd | = | 9 | Functional | ChEMBL | 507 | 7 | 0 | 4 | 4.8 | O=C1CC[C@](CCN2CC(N3CCOCC3)C2)(c2ccc(Cl)c(Cl)c2)CN1CC1CCCCC1 | 10.1016/j.bmcl.2005.05.134 | ||
| 10940813 | 73105 | 0 | None | - | 1 | Rabbit | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 571 | 9 | 0 | 5 | 2.8 | CN(C)S(=O)(=O)N1CCN(C2CN(CC[C@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CC4)C3)C2)CC1 | 10.1016/j.bmcl.2005.05.134 | ||
| CHEMBL185007 | 73105 | 0 | None | - | 1 | Rabbit | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 571 | 9 | 0 | 5 | 2.8 | CN(C)S(=O)(=O)N1CCN(C2CN(CC[C@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CC4)C3)C2)CC1 | 10.1016/j.bmcl.2005.05.134 | ||
| 44392347 | 128906 | 0 | None | - | 1 | Rabbit | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 543 | 7 | 0 | 4 | 5.1 | O=C1CC[C@](CCN2CC(N3CCOCC3)C2)(c2ccc(Cl)c(Cl)c2)CN1CC1CCC(F)(F)CC1 | 10.1016/j.bmcl.2005.05.134 | ||
| CHEMBL359655 | 128906 | 0 | None | - | 1 | Rabbit | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 543 | 7 | 0 | 4 | 5.1 | O=C1CC[C@](CCN2CC(N3CCOCC3)C2)(c2ccc(Cl)c(Cl)c2)CN1CC1CCC(F)(F)CC1 | 10.1016/j.bmcl.2005.05.134 | ||
| 9915372 | 133837 | 1 | None | - | 1 | Rabbit | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 543 | 8 | 1 | 5 | 2.2 | NS(=O)(=O)N1CCN(C2CN(CC[C@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CC4)C3)C2)CC1 | 10.1016/j.bmcl.2005.05.134 | ||
| CHEMBL365613 | 133837 | 1 | None | - | 1 | Rabbit | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 543 | 8 | 1 | 5 | 2.2 | NS(=O)(=O)N1CCN(C2CN(CC[C@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CC4)C3)C2)CC1 | 10.1016/j.bmcl.2005.05.134 | ||
| 9915372 | 133837 | 1 | None | - | 1 | Human | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 543 | 8 | 1 | 5 | 2.2 | NS(=O)(=O)N1CCN(C2CN(CC[C@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CC4)C3)C2)CC1 | 10.1016/j.bmcl.2005.05.134 | ||
| CHEMBL365613 | 133837 | 1 | None | - | 1 | Human | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 543 | 8 | 1 | 5 | 2.2 | NS(=O)(=O)N1CCN(C2CN(CC[C@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CC4)C3)C2)CC1 | 10.1016/j.bmcl.2005.05.134 | ||
| 44392445 | 73129 | 0 | None | - | 1 | Rabbit | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 495 | 8 | 0 | 3 | 5.2 | O=C1CC[C@](CCN2CC(N3CCC(F)CC3)C2)(c2ccc(Cl)c(Cl)c2)CN1CCC1CC1 | 10.1016/j.bmcl.2005.05.134 | ||
| CHEMBL185133 | 73129 | 0 | None | - | 1 | Rabbit | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 495 | 8 | 0 | 3 | 5.2 | O=C1CC[C@](CCN2CC(N3CCC(F)CC3)C2)(c2ccc(Cl)c(Cl)c2)CN1CCC1CC1 | 10.1016/j.bmcl.2005.05.134 | ||
| 44346794 | 22040 | 0 | None | - | 0 | Golden hamster | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 828 | 11 | 8 | 7 | 3.1 | CC(C)C[C@@H]1CN[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N1 | 10.1021/jm00047a020 | ||
| CHEMBL121271 | 22040 | 0 | None | - | 0 | Golden hamster | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 828 | 11 | 8 | 7 | 3.1 | CC(C)C[C@@H]1CN[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N1 | 10.1021/jm00047a020 | ||
| 10972666 | 129724 | 0 | None | - | 1 | Rabbit | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 465 | 7 | 0 | 4 | 3.7 | O=C1CC[C@](CCN2CC(N3CCOCC3)C2)(c2ccc(Cl)c(Cl)c2)CN1CC1CC1 | 10.1016/j.bmcl.2005.05.134 | ||
| CHEMBL360721 | 129724 | 0 | None | - | 1 | Rabbit | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 465 | 7 | 0 | 4 | 3.7 | O=C1CC[C@](CCN2CC(N3CCOCC3)C2)(c2ccc(Cl)c(Cl)c2)CN1CC1CC1 | 10.1016/j.bmcl.2005.05.134 | ||
| 10950925 | 136432 | 0 | None | - | 1 | Rabbit | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 478 | 7 | 1 | 4 | 3.8 | NC1CCN(C2CN(CC[C@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CC4)C3)C2)CC1 | 10.1016/j.bmcl.2005.05.134 | ||
| CHEMBL367348 | 136432 | 0 | None | - | 1 | Rabbit | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 478 | 7 | 1 | 4 | 3.8 | NC1CCN(C2CN(CC[C@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CC4)C3)C2)CC1 | 10.1016/j.bmcl.2005.05.134 | ||
| 9830361 | 188405 | 0 | None | - | 0 | Human | 8.0 | pKd | = | 8 | Functional | ChEMBL | 538 | 7 | 1 | 4 | 7.1 | C[C@H](NC(=O)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1 | 10.1021/jm000501v | ||
| CHEMBL47739 | 188405 | 0 | None | - | 0 | Human | 8.0 | pKd | = | 8 | Functional | ChEMBL | 538 | 7 | 1 | 4 | 7.1 | C[C@H](NC(=O)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1 | 10.1021/jm000501v | ||
| 10232566 | 10990 | 0 | None | - | 0 | Human | 8.0 | pKd | = | 8 | Functional | ChEMBL | 607 | 12 | 2 | 4 | 6.1 | CN(CCc1c[nH]c2ccccc12)C(=O)c1ccccc1C(=O)N(CCCN1CCSCC1)CCc1c[nH]c2ccccc12 | 10.1016/s0960-894x(02)00539-5 | ||
| CHEMBL100297 | 10990 | 0 | None | - | 0 | Human | 8.0 | pKd | = | 8 | Functional | ChEMBL | 607 | 12 | 2 | 4 | 6.1 | CN(CCc1c[nH]c2ccccc12)C(=O)c1ccccc1C(=O)N(CCCN1CCSCC1)CCc1c[nH]c2ccccc12 | 10.1016/s0960-894x(02)00539-5 | ||
| 44307677 | 176043 | 0 | None | - | 0 | Guinea pig | 8.0 | pKd | = | 8 | Functional | ChEMBL | 697 | 12 | 1 | 6 | 6.1 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCC(CC(N)=O)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| CHEMBL441252 | 176043 | 0 | None | - | 0 | Guinea pig | 8.0 | pKd | = | 8 | Functional | ChEMBL | 697 | 12 | 1 | 6 | 6.1 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCC(CC(N)=O)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| 44370530 | 55897 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7 | Functional | ChEMBL | 639 | 13 | 4 | 7 | 2.6 | CC(=O)NC(C(=O)N[C@H](Cc1cc2ccccc2n1C(C)=O)C(=O)NC(Cc1ccccc1)C(=O)N(C)Cc1ccccc1)C(C)O | 10.1021/jm960213s | ||
| CHEMBL156186 | 55897 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7 | Functional | ChEMBL | 639 | 13 | 4 | 7 | 2.6 | CC(=O)NC(C(=O)N[C@H](Cc1cc2ccccc2n1C(C)=O)C(=O)NC(Cc1ccccc1)C(=O)N(C)Cc1ccccc1)C(C)O | 10.1021/jm960213s | ||
| 9810288 | 210470 | 0 | None | - | 0 | Guinea pig | 7.0 | pKd | = | 7 | Functional | ChEMBL | 697 | 12 | 1 | 6 | 6.1 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(N2CCCC(CC(N)=O)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| CHEMBL67508 | 210470 | 0 | None | - | 0 | Guinea pig | 7.0 | pKd | = | 7 | Functional | ChEMBL | 697 | 12 | 1 | 6 | 6.1 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(N2CCCC(CC(N)=O)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| 44346881 | 148301 | 0 | None | - | 0 | Golden hamster | 7.0 | pKd | = | 7 | Functional | ChEMBL | 923 | 13 | 9 | 9 | 1.5 | CC(C)C[C@H]1NC(=O)CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](CC(=O)N(N)C[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)NC1=O | 10.1021/jm00047a020 | ||
| CHEMBL384610 | 148301 | 0 | None | - | 0 | Golden hamster | 7.0 | pKd | = | 7 | Functional | ChEMBL | 923 | 13 | 9 | 9 | 1.5 | CC(C)C[C@H]1NC(=O)CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](CC(=O)N(N)C[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)NC1=O | 10.1021/jm00047a020 | ||
| 10350528 | 113510 | 0 | None | - | 4 | Rabbit | 5.0 | pKd | = | 5 | Functional | ChEMBL | 831 | 18 | 4 | 9 | 4.2 | CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)OCCCCCCN)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O | 10.1021/jm00063a015 | ||
| CHEMBL3144210 | 113510 | 0 | None | - | 4 | Rabbit | 5.0 | pKd | = | 5 | Functional | ChEMBL | 831 | 18 | 4 | 9 | 4.2 | CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)OCCCCCCN)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O | 10.1021/jm00063a015 | ||
| 10439730 | 113534 | 0 | None | - | 4 | Rabbit | 5.0 | pKd | = | 5 | Functional | ChEMBL | 702 | 12 | 3 | 6 | 3.3 | CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O | 10.1021/jm00063a015 | ||
| CHEMBL3144353 | 113534 | 0 | None | - | 4 | Rabbit | 5.0 | pKd | = | 5 | Functional | ChEMBL | 702 | 12 | 3 | 6 | 3.3 | CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O | 10.1021/jm00063a015 | ||
| CHEMBL413730 | 219864 | 0 | None | - | 0 | Golden hamster | 4.0 | pKd | = | 4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00014a022 | ||||
| CHEMBL217365 | 216153 | 0 | None | - | 0 | Rabbit | 4.0 | pKd | = | 4 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O | 10.1021/jm00014a022 | ||||
| CHEMBL262647 | 217322 | 0 | None | - | 0 | Rabbit | 4.0 | pKd | = | 4 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)O | 10.1021/jm00014a022 | ||||
| CHEMBL263985 | 217379 | 0 | None | - | 0 | Rabbit | 4.0 | pKd | = | 4 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O | 10.1021/jm00014a022 | ||||
| CHEMBL329888 | 218101 | 0 | None | - | 0 | Rabbit | 4.0 | pKd | = | 4 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)O | 10.1021/jm00014a022 | ||||
| CHEMBL412621 | 219789 | 0 | None | - | 0 | Rabbit | 4.0 | pKd | = | 4 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O | 10.1021/jm00014a022 | ||||
| CHEMBL413730 | 219864 | 0 | None | - | 0 | Rabbit | 4.0 | pKd | = | 4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00014a022 | ||||
| 44346487 | 120907 | 0 | None | - | 0 | Rabbit | 6.0 | pKd | = | 6.0 | Functional | ChEMBL | 746 | 11 | 9 | 8 | 0.2 | CC(C)C[C@@H]1CN[C@@H](CC(=O)O)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N1 | 10.1021/jm00047a020 | ||
| CHEMBL332872 | 120907 | 0 | None | - | 0 | Rabbit | 6.0 | pKd | = | 6.0 | Functional | ChEMBL | 746 | 11 | 9 | 8 | 0.2 | CC(C)C[C@@H]1CN[C@@H](CC(=O)O)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N1 | 10.1021/jm00047a020 | ||
| 44346706 | 174948 | 0 | None | - | 0 | Golden hamster | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 745 | 11 | 9 | 8 | -0.4 | CC(C)C[C@@H]1CN[C@@H](CC(N)=O)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N1 | 10.1021/jm00047a020 | ||
| CHEMBL433192 | 174948 | 0 | None | - | 0 | Golden hamster | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 745 | 11 | 9 | 8 | -0.4 | CC(C)C[C@@H]1CN[C@@H](CC(N)=O)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N1 | 10.1021/jm00047a020 | ||
| CHEMBL406487 | 219389 | 0 | None | - | 0 | Golden hamster | 6.0 | pKd | = | 6.0 | Functional | ChEMBL | None | None | None | CC(C)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCN=C(N)N)C(=O)O | 10.1021/jm00014a022 | ||||
| 44347003 | 170957 | 0 | None | - | 0 | Rabbit | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 744 | 11 | 8 | 7 | 1.7 | CC(C)C[C@@H]1NC[C@@H](CC(C)C)NC(=O)CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCC(N)=O)NC1=O | 10.1021/jm00047a020 | ||
| CHEMBL421062 | 170957 | 0 | None | - | 0 | Rabbit | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 744 | 11 | 8 | 7 | 1.7 | CC(C)C[C@@H]1NC[C@@H](CC(C)C)NC(=O)CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCC(N)=O)NC1=O | 10.1021/jm00047a020 | ||
| CHEMBL216897 | 216123 | 0 | None | - | 0 | Golden hamster | 5.0 | pKd | = | 5.0 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O | 10.1021/jm00014a022 | ||||
| 44346707 | 121273 | 0 | None | - | 0 | Rabbit | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 798 | 11 | 7 | 7 | 3.0 | CC(C)C[C@@H]1CN(C)[C@@H](CC2CCCCC2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N1 | 10.1021/jm00047a020 | ||
| CHEMBL333515 | 121273 | 0 | None | - | 0 | Rabbit | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 798 | 11 | 7 | 7 | 3.0 | CC(C)C[C@@H]1CN(C)[C@@H](CC2CCCCC2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N1 | 10.1021/jm00047a020 | ||
| CHEMBL407328 | 219433 | 0 | None | - | 0 | Golden hamster | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O | 10.1021/jm00014a022 | ||||
| 44307898 | 208252 | 0 | None | - | 0 | Guinea pig | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 767 | 12 | 0 | 7 | 6.5 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCC(CC(=O)N3CCOCC3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| CHEMBL60504 | 208252 | 0 | None | - | 0 | Guinea pig | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 767 | 12 | 0 | 7 | 6.5 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCC(CC(=O)N3CCOCC3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| 44347083 | 22226 | 0 | None | - | 0 | Golden hamster | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 762 | 12 | 8 | 8 | 1.4 | CSCC[C@@H]1NC[C@@H](CC(C)C)NC(=O)CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCC(N)=O)NC1=O | 10.1021/jm00047a020 | ||
| CHEMBL121571 | 22226 | 0 | None | - | 0 | Golden hamster | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 762 | 12 | 8 | 8 | 1.4 | CSCC[C@@H]1NC[C@@H](CC(C)C)NC(=O)CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCC(N)=O)NC1=O | 10.1021/jm00047a020 | ||
| CHEMBL385603 | 219136 | 0 | None | - | 0 | Golden hamster | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)O | 10.1021/jm00014a022 | ||||
| 44307821 | 108891 | 0 | None | - | 0 | Guinea pig | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 767 | 12 | 0 | 7 | 6.5 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@@H](CCN1CCC(N2CCCC(CC(=O)N3CCOCC3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| CHEMBL302329 | 108891 | 0 | None | - | 0 | Guinea pig | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 767 | 12 | 0 | 7 | 6.5 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@@H](CCN1CCC(N2CCCC(CC(=O)N3CCOCC3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| 10259370 | 113525 | 0 | None | - | 0 | Rabbit | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 730 | 12 | 3 | 7 | 3.4 | CC(=O)n1cc(C[C@@H](NC(=O)C[C@@H]2NC(=O)[C@@H]3C4CCC(CC4)N3C2=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)Cc2ccccc2)c2ccccc21 | 10.1021/jm00063a015 | ||
| CHEMBL3144340 | 113525 | 0 | None | - | 0 | Rabbit | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 730 | 12 | 3 | 7 | 3.4 | CC(=O)n1cc(C[C@@H](NC(=O)C[C@@H]2NC(=O)[C@@H]3C4CCC(CC4)N3C2=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)Cc2ccccc2)c2ccccc21 | 10.1021/jm00063a015 | ||
| CHEMBL412189 | 219754 | 0 | None | - | 0 | Rabbit | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/jm00014a022 | ||||
| 10418001 | 113530 | 0 | None | - | 0 | Rabbit | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 822 | 14 | 3 | 8 | 4.9 | CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)OCc2ccccc2)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O | 10.1021/jm00063a015 | ||
| CHEMBL3144348 | 113530 | 0 | None | - | 0 | Rabbit | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 822 | 14 | 3 | 8 | 4.9 | CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)OCc2ccccc2)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O | 10.1021/jm00063a015 | ||
| 10349900 | 113526 | 0 | None | - | 4 | Rabbit | 4.9 | pKd | = | 4.9 | Functional | ChEMBL | 716 | 13 | 3 | 7 | 2.8 | CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C=O)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O | 10.1021/jm00063a015 | ||
| CHEMBL3144343 | 113526 | 0 | None | - | 4 | Rabbit | 4.9 | pKd | = | 4.9 | Functional | ChEMBL | 716 | 13 | 3 | 7 | 2.8 | CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C=O)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O | 10.1021/jm00063a015 | ||
| 10395494 | 113531 | 0 | None | - | 0 | Rabbit | 4.9 | pKd | = | 4.9 | Functional | ChEMBL | 788 | 12 | 3 | 8 | 4.5 | CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O | 10.1021/jm00063a015 | ||
| CHEMBL3144349 | 113531 | 0 | None | - | 0 | Rabbit | 4.9 | pKd | = | 4.9 | Functional | ChEMBL | 788 | 12 | 3 | 8 | 4.5 | CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O | 10.1021/jm00063a015 | ||
| 44347084 | 121030 | 0 | None | - | 0 | Rabbit | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 893 | 16 | 9 | 9 | 2.8 | CC(C)C[C@@H]1CN[C@@H](CCCCNC(=O)OCc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N1 | 10.1021/jm00047a020 | ||
| CHEMBL333027 | 121030 | 0 | None | - | 0 | Rabbit | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 893 | 16 | 9 | 9 | 2.8 | CC(C)C[C@@H]1CN[C@@H](CCCCNC(=O)OCc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N1 | 10.1021/jm00047a020 | ||
| 44346863 | 173163 | 0 | None | - | 0 | Rabbit | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 909 | 13 | 9 | 9 | 2.0 | CC(C)C[C@@H]1CN[C@@H](CC(=O)N(N)C[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N1 | 10.1021/jm00047a020 | ||
| CHEMBL427606 | 173163 | 0 | None | - | 0 | Rabbit | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 909 | 13 | 9 | 9 | 2.0 | CC(C)C[C@@H]1CN[C@@H](CC(=O)N(N)C[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N1 | 10.1021/jm00047a020 | ||
| CHEMBL263743 | 217367 | 0 | None | - | 0 | Rabbit | 4.9 | pKd | = | 4.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00014a022 | ||||
| CHEMBL385914 | 219148 | 0 | None | - | 0 | Rabbit | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)O | 10.1021/jm00014a022 | ||||
| CHEMBL439287 | 220611 | 0 | None | - | 0 | Golden hamster | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O | 10.1021/jm00014a022 | ||||
| CHEMBL267409 | 217499 | 0 | None | - | 0 | Golden hamster | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)O | 10.1021/jm00014a022 | ||||
| CHEMBL329888 | 218101 | 0 | None | - | 0 | Rat | 4.9 | pKd | = | 4.9 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)O | 10.1021/jm00014a022 | ||||
| CHEMBL387199 | 219186 | 0 | None | - | 0 | Golden hamster | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)O | 10.1021/jm00014a022 | ||||
| 44346488 | 170967 | 0 | None | - | 0 | Rabbit | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 798 | 11 | 8 | 7 | 2.2 | CC(C)C[C@H]1NC(=O)CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](CC2CCCCC2)NC1=O | 10.1021/jm00047a020 | ||
| CHEMBL421071 | 170967 | 0 | None | - | 0 | Rabbit | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 798 | 11 | 8 | 7 | 2.2 | CC(C)C[C@H]1NC(=O)CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](CC2CCCCC2)NC1=O | 10.1021/jm00047a020 | ||
| CHEMBL267409 | 217499 | 0 | None | - | 0 | Rabbit | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)O | 10.1021/jm00014a022 | ||||
| CHEMBL329888 | 218101 | 0 | None | - | 0 | Golden hamster | 4.8 | pKd | = | 4.8 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)O | 10.1021/jm00014a022 | ||||
| 44346720 | 121613 | 0 | None | - | 0 | Rabbit | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 849 | 14 | 9 | 8 | 1.8 | CC(C)C[C@@H]1CN[C@@H](CCC(=O)NCc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N1 | 10.1021/jm00047a020 | ||
| CHEMBL334186 | 121613 | 0 | None | - | 0 | Rabbit | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 849 | 14 | 9 | 8 | 1.8 | CC(C)C[C@@H]1CN[C@@H](CCC(=O)NCc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N1 | 10.1021/jm00047a020 | ||
| 44307679 | 210296 | 0 | None | - | 0 | Guinea pig | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 711 | 12 | 1 | 6 | 6.4 | CNC(=O)CC1CCCN(C2CCN(CC[C@@H](/C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N/OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O | 10.1016/s0960-894x(02)00340-2 | ||
| CHEMBL66332 | 210296 | 0 | None | - | 0 | Guinea pig | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 711 | 12 | 1 | 6 | 6.4 | CNC(=O)CC1CCCN(C2CCN(CC[C@@H](/C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N/OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O | 10.1016/s0960-894x(02)00340-2 | ||
| 44347003 | 170957 | 0 | None | - | 0 | Golden hamster | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 744 | 11 | 8 | 7 | 1.7 | CC(C)C[C@@H]1NC[C@@H](CC(C)C)NC(=O)CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCC(N)=O)NC1=O | 10.1021/jm00047a020 | ||
| CHEMBL421062 | 170957 | 0 | None | - | 0 | Golden hamster | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 744 | 11 | 8 | 7 | 1.7 | CC(C)C[C@@H]1NC[C@@H](CC(C)C)NC(=O)CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCC(N)=O)NC1=O | 10.1021/jm00047a020 | ||
| CHEMBL439287 | 220611 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O | 10.1021/jm00014a022 | ||||
| CHEMBL217365 | 216153 | 0 | None | - | 0 | Golden hamster | 4.8 | pKd | = | 4.8 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O | 10.1021/jm00014a022 | ||||
| 44307773 | 109137 | 0 | None | - | 0 | Guinea pig | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 779 | 13 | 0 | 7 | 7.6 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(N2CCCC(CC(=O)C3CCN(C)CC3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| CHEMBL303803 | 109137 | 0 | None | - | 0 | Guinea pig | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 779 | 13 | 0 | 7 | 7.6 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(N2CCCC(CC(=O)C3CCN(C)CC3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| CHEMBL429340 | 220301 | 0 | None | - | 0 | Golden hamster | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O | 10.1021/jm00014a022 | ||||
| CHEMBL439284 | 220610 | 22 | None | - | 0 | Rabbit | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)CCCN=C(N)N)C(N)=O | 10.1021/jm00063a015 | ||||
| 10395612 | 113524 | 0 | None | - | 0 | Rabbit | 4.8 | pKd | = | 4.8 | Functional | ChEMBL | 814 | 18 | 3 | 7 | 5.7 | CCCCCCCC(=O)n1cc(C[C@@H](NC(=O)C[C@@H]2NC(=O)[C@@H]3C4CCC(CC4)N3C2=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)Cc2ccccc2)c2ccccc21 | 10.1021/jm00063a015 | ||
| CHEMBL3144339 | 113524 | 0 | None | - | 0 | Rabbit | 4.8 | pKd | = | 4.8 | Functional | ChEMBL | 814 | 18 | 3 | 7 | 5.7 | CCCCCCCC(=O)n1cc(C[C@@H](NC(=O)C[C@@H]2NC(=O)[C@@H]3C4CCC(CC4)N3C2=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)Cc2ccccc2)c2ccccc21 | 10.1021/jm00063a015 | ||
| 10032981 | 113529 | 0 | None | - | 0 | Rabbit | 4.8 | pKd | = | 4.8 | Functional | ChEMBL | 746 | 12 | 3 | 8 | 3.3 | COC(=O)n1cc(C[C@@H](NC(=O)C[C@@H]2NC(=O)[C@@H]3C4CCC(CC4)N3C2=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)Cc2ccccc2)c2ccccc21 | 10.1021/jm00063a015 | ||
| CHEMBL3144347 | 113529 | 0 | None | - | 0 | Rabbit | 4.8 | pKd | = | 4.8 | Functional | ChEMBL | 746 | 12 | 3 | 8 | 3.3 | COC(=O)n1cc(C[C@@H](NC(=O)C[C@@H]2NC(=O)[C@@H]3C4CCC(CC4)N3C2=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)Cc2ccccc2)c2ccccc21 | 10.1021/jm00063a015 | ||
| 9832198 | 113532 | 0 | None | - | 4 | Rabbit | 4.8 | pKd | = | 4.8 | Functional | ChEMBL | 788 | 15 | 4 | 8 | 3.2 | CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)CCC(=O)O)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O | 10.1021/jm00063a015 | ||
| CHEMBL3144351 | 113532 | 0 | None | - | 4 | Rabbit | 4.8 | pKd | = | 4.8 | Functional | ChEMBL | 788 | 15 | 4 | 8 | 3.2 | CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)CCC(=O)O)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O | 10.1021/jm00063a015 | ||
| CHEMBL385603 | 219136 | 0 | None | - | 0 | Rabbit | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)O | 10.1021/jm00014a022 | ||||
| CHEMBL439287 | 220611 | 0 | None | - | 0 | Rabbit | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O | 10.1021/jm00014a022 | ||||
| CHEMBL268563 | 217538 | 0 | None | - | 0 | Rabbit | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/jm00014a022 | ||||
| CHEMBL268563 | 217538 | 0 | None | - | 0 | Golden hamster | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/jm00014a022 | ||||
| CHEMBL412621 | 219789 | 0 | None | - | 0 | Golden hamster | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O | 10.1021/jm00014a022 | ||||
| CHEMBL263743 | 217367 | 0 | None | - | 0 | Golden hamster | 4.8 | pKd | = | 4.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00014a022 | ||||
| 44347002 | 119611 | 0 | None | - | 0 | Golden hamster | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 778 | 11 | 8 | 7 | 1.9 | CC(C)C[C@@H]1CN[C@@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N1 | 10.1021/jm00047a020 | ||
| CHEMBL330810 | 119611 | 0 | None | - | 0 | Golden hamster | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 778 | 11 | 8 | 7 | 1.9 | CC(C)C[C@@H]1CN[C@@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N1 | 10.1021/jm00047a020 | ||
| CHEMBL438716 | 220567 | 0 | None | - | 0 | Rat | 4.7 | pKd | = | 4.7 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O | 10.1021/jm00014a022 | ||||
| 9874206 | 210550 | 0 | None | - | 0 | Guinea pig | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 640 | 10 | 0 | 5 | 7.0 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| CHEMBL68060 | 210550 | 0 | None | - | 0 | Guinea pig | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 640 | 10 | 0 | 5 | 7.0 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| CHEMBL412621 | 219789 | 0 | None | - | 0 | Rat | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O | 10.1021/jm00014a022 | ||||
| CHEMBL263997 | 217380 | 0 | None | - | 0 | Rabbit | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O | 10.1021/jm00014a022 | ||||
| CHEMBL441181 | 220660 | 0 | None | - | 0 | Rat | 5.7 | pKd | = | 5.7 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)O | 10.1021/jm00014a022 | ||||
| CHEMBL438716 | 220567 | 0 | None | - | 0 | Rabbit | 4.7 | pKd | = | 4.7 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O | 10.1021/jm00014a022 | ||||
| 57391133 | 75142 | 0 | None | - | 0 | Human | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 691 | 12 | 3 | 7 | 4.4 | COC(=O)C1=C2CCC(C(=O)N[C@@H](CCc3c[nH]c4ccccc34)C(=O)N(C)Cc3ccccc3)N2C(=O)C(NC(=O)OCc2ccccc2)C1 | 10.1016/j.ejmech.2011.08.042 | ||
| CHEMBL1916635 | 75142 | 0 | None | - | 0 | Human | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 691 | 12 | 3 | 7 | 4.4 | COC(=O)C1=C2CCC(C(=O)N[C@@H](CCc3c[nH]c4ccccc34)C(=O)N(C)Cc3ccccc3)N2C(=O)C(NC(=O)OCc2ccccc2)C1 | 10.1016/j.ejmech.2011.08.042 | ||
| 44370713 | 57806 | 0 | None | - | 0 | Rat | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 653 | 13 | 4 | 7 | 3.2 | CC(=O)NC(C(=O)N[C@H](Cc1cc2ccccc2n1C(C)=O)C(=O)NC(Cc1ccccc1)C(=O)N(C)C(C)c1ccccc1)C(C)O | 10.1021/jm960213s | ||
| CHEMBL157858 | 57806 | 0 | None | - | 0 | Rat | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 653 | 13 | 4 | 7 | 3.2 | CC(=O)NC(C(=O)N[C@H](Cc1cc2ccccc2n1C(C)=O)C(=O)NC(Cc1ccccc1)C(=O)N(C)C(C)c1ccccc1)C(C)O | 10.1021/jm960213s | ||
| 10055415 | 113533 | 0 | None | - | 4 | Rabbit | 5.7 | pKd | = | 5.7 | Functional | ChEMBL | 688 | 12 | 4 | 5 | 3.2 | CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O | 10.1021/jm00063a015 | ||
| CHEMBL3144352 | 113533 | 0 | None | - | 4 | Rabbit | 5.7 | pKd | = | 5.7 | Functional | ChEMBL | 688 | 12 | 4 | 5 | 3.2 | CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O | 10.1021/jm00063a015 | ||
| 3086681 | 9052 | 17 | None | - | 1 | Rabbit | 4.7 | pKd | = | 4.7 | Functional | ChEMBL | 559 | 11 | 2 | 5 | 4.2 | COc1ccccc1CN(C(=O)C)C[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)CN1CCC(CC1)N1CCCCC1 | 10.1021/jm950616c | ||
| 3510 | 9052 | 17 | None | - | 1 | Rabbit | 4.7 | pKd | = | 4.7 | Functional | ChEMBL | 559 | 11 | 2 | 5 | 4.2 | COc1ccccc1CN(C(=O)C)C[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)CN1CCC(CC1)N1CCCCC1 | 10.1021/jm950616c | ||
| CHEMBL42407 | 9052 | 17 | None | - | 1 | Rabbit | 4.7 | pKd | = | 4.7 | Functional | ChEMBL | 559 | 11 | 2 | 5 | 4.2 | COc1ccccc1CN(C(=O)C)C[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)CN1CCC(CC1)N1CCCCC1 | 10.1021/jm950616c | ||
| 10325464 | 126912 | 0 | None | - | 1 | Rabbit | 4.7 | pKd | = | 4.7 | Functional | ChEMBL | 559 | 11 | 2 | 5 | 4.2 | COc1ccccc1CN(C[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCC(N2CCCCC2)CC1)C(C)=O | 10.1021/jm950616c | ||
| CHEMBL351236 | 126912 | 0 | None | - | 1 | Rabbit | 4.7 | pKd | = | 4.7 | Functional | ChEMBL | 559 | 11 | 2 | 5 | 4.2 | COc1ccccc1CN(C[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCC(N2CCCCC2)CC1)C(C)=O | 10.1021/jm950616c | ||
| 10506928 | 126996 | 0 | None | - | 1 | Rabbit | 4.7 | pKd | = | 4.7 | Functional | ChEMBL | 553 | 11 | 2 | 5 | 4.1 | COc1ccccc1CN(C[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(c2ccccc2)CC1)C(C)=O | 10.1021/jm950616c | ||
| CHEMBL352102 | 126996 | 0 | None | - | 1 | Rabbit | 4.7 | pKd | = | 4.7 | Functional | ChEMBL | 553 | 11 | 2 | 5 | 4.1 | COc1ccccc1CN(C[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(c2ccccc2)CC1)C(C)=O | 10.1021/jm950616c | ||
| 10350454 | 113508 | 0 | None | - | 4 | Rabbit | 4.7 | pKd | = | 4.7 | Functional | ChEMBL | 815 | 18 | 4 | 8 | 4.3 | CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)CCCCCCN)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O | 10.1021/jm00063a015 | ||
| CHEMBL3144209 | 113508 | 0 | None | - | 4 | Rabbit | 4.7 | pKd | = | 4.7 | Functional | ChEMBL | 815 | 18 | 4 | 8 | 4.3 | CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)CCCCCCN)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O | 10.1021/jm00063a015 | ||
| 44347001 | 119961 | 0 | None | - | 0 | Golden hamster | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 851 | 15 | 9 | 9 | 2.0 | CC(C)C[C@@H]1CN[C@@H](CCC(N)OCc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N1 | 10.1021/jm00047a020 | ||
| CHEMBL331480 | 119961 | 0 | None | - | 0 | Golden hamster | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 851 | 15 | 9 | 9 | 2.0 | CC(C)C[C@@H]1CN[C@@H](CCC(N)OCc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N1 | 10.1021/jm00047a020 | ||
| 44374556 | 59505 | 0 | None | - | 0 | Rabbit | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 773 | 9 | 5 | 6 | 3.7 | O=C1C[C@@H](CC(=O)N2CCC(N3CCCCC3)CC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1016/s0960-894x(01)00841-1 | ||
| CHEMBL159449 | 59505 | 0 | None | - | 0 | Rabbit | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 773 | 9 | 5 | 6 | 3.7 | O=C1C[C@@H](CC(=O)N2CCC(N3CCCCC3)CC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1016/s0960-894x(01)00841-1 | ||
| 44392444 | 129112 | 0 | None | - | 1 | Rabbit | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 481 | 7 | 0 | 3 | 4.8 | O=C1CC[C@](CCN2CC(N3CCC(F)CC3)C2)(c2ccc(Cl)c(Cl)c2)CN1CC1CC1 | 10.1016/j.bmcl.2005.05.134 | ||
| CHEMBL359903 | 129112 | 0 | None | - | 1 | Rabbit | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 481 | 7 | 0 | 3 | 4.8 | O=C1CC[C@](CCN2CC(N3CCC(F)CC3)C2)(c2ccc(Cl)c(Cl)c2)CN1CC1CC1 | 10.1016/j.bmcl.2005.05.134 | ||
| CHEMBL429340 | 220301 | 0 | None | - | 0 | Rabbit | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O | 10.1021/jm00014a022 | ||||
| CHEMBL263997 | 217380 | 0 | None | - | 0 | Rat | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O | 10.1021/jm00014a022 | ||||
| 44347083 | 22226 | 0 | None | - | 0 | Rabbit | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 762 | 12 | 8 | 8 | 1.4 | CSCC[C@@H]1NC[C@@H](CC(C)C)NC(=O)CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCC(N)=O)NC1=O | 10.1021/jm00047a020 | ||
| CHEMBL121571 | 22226 | 0 | None | - | 0 | Rabbit | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 762 | 12 | 8 | 8 | 1.4 | CSCC[C@@H]1NC[C@@H](CC(C)C)NC(=O)CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCC(N)=O)NC1=O | 10.1021/jm00047a020 | ||
| CHEMBL334721 | 218178 | 1 | None | - | 2 | Guinea pig | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | None | None | None | CSCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CNC(=O)C[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2 | 10.1016/s0960-894x(98)00282-0 | ||||
| CHEMBL263985 | 217379 | 0 | None | - | 0 | Rat | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O | 10.1021/jm00014a022 | ||||
| 9918520 | 109528 | 0 | None | - | 0 | Guinea pig | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 753 | 12 | 1 | 7 | 5.8 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(N2CCCC(CC(=O)N3CC(O)C3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| CHEMBL305055 | 109528 | 0 | None | - | 0 | Guinea pig | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 753 | 12 | 1 | 7 | 5.8 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(N2CCCC(CC(=O)N3CC(O)C3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| CHEMBL429340 | 220301 | 0 | None | - | 0 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O | 10.1021/jm00014a022 | ||||
| CHEMBL217365 | 216153 | 0 | None | - | 0 | Rat | 4.6 | pKd | = | 4.6 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O | 10.1021/jm00014a022 | ||||
| CHEMBL266526 | 217465 | 0 | None | - | 0 | Rabbit | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | None | None | None | CC(C)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCN=C(N)N)C(=O)O | 10.1021/jm00014a022 | ||||
| CHEMBL412830 | 219810 | 0 | None | - | 0 | Rabbit | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)O | 10.1021/jm00014a022 | ||||
| CHEMBL412189 | 219754 | 0 | None | - | 0 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/jm00014a022 | ||||
| CHEMBL385914 | 219148 | 0 | None | - | 0 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)O | 10.1021/jm00014a022 | ||||
| 71449112 | 85674 | 0 | None | - | 0 | Rabbit | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 682 | 10 | 8 | 7 | 0.3 | O=C1CC(C(=O)NC(CO)CO)C(=O)NC[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1016/s0960-894x(01)00841-1 | ||
| CHEMBL2112926 | 85674 | 0 | None | - | 0 | Rabbit | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 682 | 10 | 8 | 7 | 0.3 | O=C1CC(C(=O)NC(CO)CO)C(=O)NC[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1016/s0960-894x(01)00841-1 | ||
| 44374557 | 126373 | 0 | None | - | 0 | Rabbit | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 693 | 11 | 6 | 6 | 1.9 | CN(C)CCNC(=O)C[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O | 10.1016/s0960-894x(01)00841-1 | ||
| CHEMBL346285 | 126373 | 0 | None | - | 0 | Rabbit | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 693 | 11 | 6 | 6 | 1.9 | CN(C)CCNC(=O)C[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O | 10.1016/s0960-894x(01)00841-1 | ||
| 9807403 | 73458 | 0 | None | - | 1 | Rabbit | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 542 | 8 | 0 | 5 | 2.9 | CS(=O)(=O)N1CCN(C2CN(CC[C@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CC4)C3)C2)CC1 | 10.1016/j.bmcl.2005.05.134 | ||
| CHEMBL185452 | 73458 | 0 | None | - | 1 | Rabbit | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 542 | 8 | 0 | 5 | 2.9 | CS(=O)(=O)N1CCN(C2CN(CC[C@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CC4)C3)C2)CC1 | 10.1016/j.bmcl.2005.05.134 | ||
| 44346707 | 121273 | 0 | None | - | 0 | Golden hamster | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 798 | 11 | 7 | 7 | 3.0 | CC(C)C[C@@H]1CN(C)[C@@H](CC2CCCCC2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N1 | 10.1021/jm00047a020 | ||
| CHEMBL333515 | 121273 | 0 | None | - | 0 | Golden hamster | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 798 | 11 | 7 | 7 | 3.0 | CC(C)C[C@@H]1CN(C)[C@@H](CC2CCCCC2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N1 | 10.1021/jm00047a020 | ||
| 44370529 | 55833 | 0 | None | - | 0 | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 643 | 10 | 3 | 7 | 3.0 | CC(=O)NC(C(=O)N[C@H](Cc1cc2ccccc2n1C(C)=O)C(=O)N1C(C(=O)N(C)Cc2ccccc2)CC2CCCCC21)C(C)O | 10.1021/jm960213s | ||
| CHEMBL156128 | 55833 | 0 | None | - | 0 | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 643 | 10 | 3 | 7 | 3.0 | CC(=O)NC(C(=O)N[C@H](Cc1cc2ccccc2n1C(C)=O)C(=O)N1C(C(=O)N(C)Cc2ccccc2)CC2CCCCC21)C(C)O | 10.1021/jm960213s | ||
| 10305816 | 10991 | 1 | None | - | 0 | Human | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 736 | 16 | 2 | 6 | 6.9 | O=C(c1ccccc1C(=O)N(CCCN1CCSCC1)CCc1c[nH]c2ccccc12)N(CCCN1CCSCC1)CCc1c[nH]c2ccccc12 | 10.1016/s0960-894x(02)00539-5 | ||
| CHEMBL100298 | 10991 | 1 | None | - | 0 | Human | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 736 | 16 | 2 | 6 | 6.9 | O=C(c1ccccc1C(=O)N(CCCN1CCSCC1)CCc1c[nH]c2ccccc12)N(CCCN1CCSCC1)CCc1c[nH]c2ccccc12 | 10.1016/s0960-894x(02)00539-5 | ||
| 44374543 | 59669 | 0 | None | - | 0 | Rabbit | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 773 | 9 | 5 | 6 | 3.7 | O=C1C[C@H](CC(=O)N2CCC(N3CCCCC3)CC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1016/s0960-894x(01)00841-1 | ||
| CHEMBL159585 | 59669 | 0 | None | - | 0 | Rabbit | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 773 | 9 | 5 | 6 | 3.7 | O=C1C[C@H](CC(=O)N2CCC(N3CCCCC3)CC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1016/s0960-894x(01)00841-1 | ||
| 44374598 | 126269 | 0 | None | - | 0 | Rabbit | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 811 | 10 | 10 | 10 | -1.2 | CC(=O)NC1C(NC(=O)C2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)OC(CO)C(O)C1O | 10.1016/s0960-894x(01)00841-1 | ||
| CHEMBL345402 | 126269 | 0 | None | - | 0 | Rabbit | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 811 | 10 | 10 | 10 | -1.2 | CC(=O)NC1C(NC(=O)C2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)OC(CO)C(O)C1O | 10.1016/s0960-894x(01)00841-1 | ||
| CHEMBL412830 | 219810 | 0 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)O | 10.1021/jm00014a022 | ||||
| 44346486 | 120900 | 0 | None | - | 0 | Golden hamster | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 759 | 13 | 9 | 8 | 0.8 | CC(C)C[C@@H]1CN[C@@H](CCCCN)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N1 | 10.1021/jm00047a020 | ||
| CHEMBL332820 | 120900 | 0 | None | - | 0 | Golden hamster | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 759 | 13 | 9 | 8 | 0.8 | CC(C)C[C@@H]1CN[C@@H](CCCCN)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N1 | 10.1021/jm00047a020 | ||
| 44346488 | 170967 | 0 | None | - | 0 | Golden hamster | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 798 | 11 | 8 | 7 | 2.2 | CC(C)C[C@H]1NC(=O)CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](CC2CCCCC2)NC1=O | 10.1021/jm00047a020 | ||
| CHEMBL421071 | 170967 | 0 | None | - | 0 | Golden hamster | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 798 | 11 | 8 | 7 | 2.2 | CC(C)C[C@H]1NC(=O)CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](CC2CCCCC2)NC1=O | 10.1021/jm00047a020 | ||
| 10145229 | 15945 | 0 | None | - | 0 | Golden hamster | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 592 | 7 | 1 | 4 | 5.9 | Cc1cc(C)cc(C(=O)N2CCN(C(=O)CNC3CCN(Cc4ccccc4)CC3)C(c3ccc(Cl)c(Cl)c3)C2)c1 | 10.1016/s0960-894x(02)00645-5 | ||
| CHEMBL110219 | 15945 | 0 | None | - | 0 | Golden hamster | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 592 | 7 | 1 | 4 | 5.9 | Cc1cc(C)cc(C(=O)N2CCN(C(=O)CNC3CCN(Cc4ccccc4)CC3)C(c3ccc(Cl)c(Cl)c3)C2)c1 | 10.1016/s0960-894x(02)00645-5 | ||
| CHEMBL263985 | 217379 | 0 | None | - | 0 | Golden hamster | 4.5 | pKd | = | 4.5 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O | 10.1021/jm00014a022 | ||||
| 44305816 | 169798 | 0 | None | - | 0 | Rabbit | 4.5 | pKd | = | 4.5 | Functional | ChEMBL | 589 | 8 | 2 | 4 | 3.6 | CN(Cc1ccccc1)C(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)C1C=[N+](C)c2ccccc21 | 10.1016/S0960-894X(96)00604-X | ||
| CHEMBL417572 | 169798 | 0 | None | - | 0 | Rabbit | 4.5 | pKd | = | 4.5 | Functional | ChEMBL | 589 | 8 | 2 | 4 | 3.6 | CN(Cc1ccccc1)C(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)C1C=[N+](C)c2ccccc21 | 10.1016/S0960-894X(96)00604-X | ||
| CHEMBL216897 | 216123 | 0 | None | - | 0 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O | 10.1021/jm00014a022 | ||||
| CHEMBL267409 | 217499 | 0 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)O | 10.1021/jm00014a022 | ||||
| CHEMBL407328 | 219433 | 0 | None | - | 0 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O | 10.1021/jm00014a022 | ||||
| CHEMBL385914 | 219148 | 0 | None | - | 0 | Golden hamster | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)O | 10.1021/jm00014a022 | ||||
| 44346727 | 174947 | 0 | None | - | 0 | Rabbit | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 784 | 11 | 8 | 7 | 2.7 | CC(C)C[C@@H]1CN[C@@H](CC2CCCCC2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N1 | 10.1021/jm00047a020 | ||
| CHEMBL433191 | 174947 | 0 | None | - | 0 | Rabbit | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 784 | 11 | 8 | 7 | 2.7 | CC(C)C[C@@H]1CN[C@@H](CC2CCCCC2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N1 | 10.1021/jm00047a020 | ||
| CHEMBL266526 | 217465 | 0 | None | - | 0 | Rat | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | None | None | None | CC(C)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCN=C(N)N)C(=O)O | 10.1021/jm00014a022 | ||||
| CHEMBL387199 | 219186 | 0 | None | - | 0 | Rat | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)O | 10.1021/jm00014a022 | ||||
| 44307819 | 109373 | 0 | None | - | 0 | Guinea pig | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 725 | 12 | 0 | 6 | 6.7 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@@H](CCN1CCC(N2CCCC(CC(=O)N(C)C)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| CHEMBL304106 | 109373 | 0 | None | - | 0 | Guinea pig | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 725 | 12 | 0 | 6 | 6.7 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@@H](CCN1CCC(N2CCCC(CC(=O)N(C)C)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| 44307678 | 205454 | 0 | None | - | 0 | Guinea pig | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 711 | 12 | 1 | 6 | 6.4 | CNC(=O)CC1CCCN(C2CCN(CC[C@H](/C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N/OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O | 10.1016/s0960-894x(02)00340-2 | ||
| CHEMBL57993 | 205454 | 0 | None | - | 0 | Guinea pig | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 711 | 12 | 1 | 6 | 6.4 | CNC(=O)CC1CCCN(C2CCN(CC[C@H](/C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N/OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O | 10.1016/s0960-894x(02)00340-2 | ||
| 44307820 | 210414 | 0 | None | - | 0 | Guinea pig | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 725 | 12 | 0 | 6 | 6.7 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCC(CC(=O)N(C)C)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| CHEMBL67171 | 210414 | 0 | None | - | 0 | Guinea pig | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 725 | 12 | 0 | 6 | 6.7 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCC(CC(=O)N(C)C)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| 21121353 | 108250 | 0 | None | - | 4 | Rabbit | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 625 | 14 | 4 | 7 | 2.0 | CC(=O)N[C@H](C(=O)N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1)C(C)O | 10.1021/jm00063a015 | ||
| CHEMBL297776 | 108250 | 0 | None | - | 4 | Rabbit | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 625 | 14 | 4 | 7 | 2.0 | CC(=O)N[C@H](C(=O)N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1)C(C)O | 10.1021/jm00063a015 | ||
| 44346863 | 173163 | 0 | None | - | 0 | Golden hamster | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 909 | 13 | 9 | 9 | 2.0 | CC(C)C[C@@H]1CN[C@@H](CC(=O)N(N)C[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N1 | 10.1021/jm00047a020 | ||
| CHEMBL427606 | 173163 | 0 | None | - | 0 | Golden hamster | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 909 | 13 | 9 | 9 | 2.0 | CC(C)C[C@@H]1CN[C@@H](CC(=O)N(N)C[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N1 | 10.1021/jm00047a020 | ||
| CHEMBL406487 | 219389 | 0 | None | - | 0 | Rabbit | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | None | None | None | CC(C)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCN=C(N)N)C(=O)O | 10.1021/jm00014a022 | ||||
| CHEMBL262647 | 217322 | 0 | None | - | 0 | Golden hamster | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)O | 10.1021/jm00014a022 | ||||
| 44346794 | 22040 | 0 | None | - | 0 | Rabbit | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 828 | 11 | 8 | 7 | 3.1 | CC(C)C[C@@H]1CN[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N1 | 10.1021/jm00047a020 | ||
| CHEMBL121271 | 22040 | 0 | None | - | 0 | Rabbit | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 828 | 11 | 8 | 7 | 3.1 | CC(C)C[C@@H]1CN[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N1 | 10.1021/jm00047a020 | ||
| CHEMBL412830 | 219810 | 0 | None | - | 0 | Golden hamster | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)O | 10.1021/jm00014a022 | ||||
| CHEMBL263743 | 217367 | 0 | None | - | 0 | Rat | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00014a022 | ||||
| CHEMBL441181 | 220660 | 0 | None | - | 0 | Rabbit | 5.3 | pKd | = | 5.3 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)O | 10.1021/jm00014a022 | ||||
| 9829402 | 175279 | 0 | None | - | 0 | Rabbit | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 565 | 6 | 5 | 4 | 2.6 | O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CN1 | 10.1016/s0960-894x(01)00841-1 | ||
| CHEMBL435324 | 175279 | 0 | None | - | 0 | Rabbit | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 565 | 6 | 5 | 4 | 2.6 | O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CN1 | 10.1016/s0960-894x(01)00841-1 | ||
| 1488931 | 58335 | 15 | None | - | 0 | Guinea pig | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 344 | 2 | 0 | 6 | 3.8 | O=c1c2cnn(-c3ccccc3)c2nc2scc(-c3ccccc3)n12 | 10.1016/0960-894X(95)00558-B | ||
| CHEMBL158318 | 58335 | 15 | None | - | 0 | Guinea pig | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 344 | 2 | 0 | 6 | 3.8 | O=c1c2cnn(-c3ccccc3)c2nc2scc(-c3ccccc3)n12 | 10.1016/0960-894X(95)00558-B | ||
| 9896563 | 110557 | 0 | None | - | 0 | Guinea pig | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 711 | 12 | 1 | 6 | 6.4 | CNC(=O)CC1CCCN(C2CCN(CCC(/C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N/OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O | 10.1016/s0960-894x(02)00340-2 | ||
| CHEMBL308891 | 110557 | 0 | None | - | 0 | Guinea pig | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 711 | 12 | 1 | 6 | 6.4 | CNC(=O)CC1CCCN(C2CCN(CCC(/C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N/OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O | 10.1016/s0960-894x(02)00340-2 | ||
| 9939307 | 210265 | 0 | None | - | 0 | Guinea pig | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 640 | 10 | 0 | 5 | 7.0 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| CHEMBL66106 | 210265 | 0 | None | - | 0 | Guinea pig | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 640 | 10 | 0 | 5 | 7.0 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| 44307757 | 210315 | 0 | None | - | 0 | Guinea pig | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 753 | 12 | 1 | 7 | 5.8 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCC(CC(=O)N3CC(O)C3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| CHEMBL66441 | 210315 | 0 | None | - | 0 | Guinea pig | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 753 | 12 | 1 | 7 | 5.8 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCC(CC(=O)N3CC(O)C3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| 44307758 | 210335 | 0 | None | - | 0 | Guinea pig | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 697 | 12 | 1 | 6 | 6.1 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@@H](CCN1CCC(N2CCCC(CC(N)=O)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| CHEMBL66635 | 210335 | 0 | None | - | 0 | Guinea pig | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 697 | 12 | 1 | 6 | 6.1 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@@H](CCN1CCC(N2CCCC(CC(N)=O)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| 9810835 | 210354 | 0 | None | - | 0 | Guinea pig | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 767 | 12 | 0 | 7 | 6.5 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(N2CCCC(CC(=O)N3CCOCC3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| CHEMBL66763 | 210354 | 0 | None | - | 0 | Guinea pig | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 767 | 12 | 0 | 7 | 6.5 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(N2CCCC(CC(=O)N3CCOCC3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| 44307741 | 210566 | 0 | None | - | 0 | Guinea pig | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 753 | 12 | 1 | 7 | 5.8 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@@H](CCN1CCC(N2CCCC(CC(=O)N3CC(O)C3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| CHEMBL68234 | 210566 | 0 | None | - | 0 | Guinea pig | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 753 | 12 | 1 | 7 | 5.8 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@@H](CCN1CCC(N2CCCC(CC(=O)N3CC(O)C3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| 104943 | 62160 | 39 | None | - | 4 | Rabbit | 4.3 | pKd | = | 4.3 | Functional | ChEMBL | 412 | 7 | 1 | 3 | 5.1 | COc1ccccc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 | 10.1021/jm950616c | ||
| CHEMBL16192 | 62160 | 39 | None | - | 4 | Rabbit | 4.3 | pKd | = | 4.3 | Functional | ChEMBL | 412 | 7 | 1 | 3 | 5.1 | COc1ccccc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 | 10.1021/jm950616c | ||
| 44347001 | 119961 | 0 | None | - | 0 | Rabbit | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 851 | 15 | 9 | 9 | 2.0 | CC(C)C[C@@H]1CN[C@@H](CCC(N)OCc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N1 | 10.1021/jm00047a020 | ||
| CHEMBL331480 | 119961 | 0 | None | - | 0 | Rabbit | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 851 | 15 | 9 | 9 | 2.0 | CC(C)C[C@@H]1CN[C@@H](CCC(N)OCc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N1 | 10.1021/jm00047a020 | ||
| 9939040 | 11782 | 7 | None | - | 2 | Guinea pig | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 623 | 7 | 2 | 3 | 6.1 | CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](/C=C/C(=O)N[C@@H]1CCCCNC1=O)Cc1ccc(Cl)c(Cl)c1 | 10.1021/jm030786m | ||
| CHEMBL105060 | 11782 | 7 | None | - | 2 | Guinea pig | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 623 | 7 | 2 | 3 | 6.1 | CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](/C=C/C(=O)N[C@@H]1CCCCNC1=O)Cc1ccc(Cl)c(Cl)c1 | 10.1021/jm030786m | ||
| CHEMBL266526 | 217465 | 0 | None | - | 0 | Golden hamster | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | None | None | None | CC(C)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCN=C(N)N)C(=O)O | 10.1021/jm00014a022 | ||||
| CHEMBL327457 | 218072 | 0 | None | - | 0 | Rabbit | 5.2 | pKd | = | 5.2 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(=O)O)C(=O)O | 10.1021/jm00014a022 | ||||
| CHEMBL334721 | 218178 | 1 | None | - | 2 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | None | None | None | CSCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CNC(=O)C[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2 | 10.1016/s0960-894x(98)00282-0 | ||||
| 44374504 | 61623 | 0 | None | - | 0 | Rabbit | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 825 | 11 | 10 | 10 | -0.8 | CC(=O)NC1C(NC(=O)C[C@@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)OC(CO)C(O)C1O | 10.1016/s0960-894x(01)00841-1 | ||
| CHEMBL161288 | 61623 | 0 | None | - | 0 | Rabbit | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 825 | 11 | 10 | 10 | -0.8 | CC(=O)NC1C(NC(=O)C[C@@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)OC(CO)C(O)C1O | 10.1016/s0960-894x(01)00841-1 | ||
| 71461644 | 85672 | 0 | None | - | 0 | Rabbit | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 784 | 10 | 10 | 10 | -0.9 | O=C(C[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)CNC1=O)NC1OC(CO)C(O)C(O)C1O | 10.1016/s0960-894x(01)00841-1 | ||
| CHEMBL2112924 | 85672 | 0 | None | - | 0 | Rabbit | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 784 | 10 | 10 | 10 | -0.9 | O=C(C[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)CNC1=O)NC1OC(CO)C(O)C(O)C1O | 10.1016/s0960-894x(01)00841-1 | ||
| 11038500 | 70327 | 0 | None | - | 1 | Rabbit | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 507 | 9 | 0 | 4 | 4.8 | CCOC1CCN(C2CN(CC[C@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CC4)C3)C2)CC1 | 10.1016/j.bmcl.2005.05.134 | ||
| CHEMBL180049 | 70327 | 0 | None | - | 1 | Rabbit | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 507 | 9 | 0 | 4 | 4.8 | CCOC1CCN(C2CN(CC[C@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CC4)C3)C2)CC1 | 10.1016/j.bmcl.2005.05.134 | ||
| 44347084 | 121030 | 0 | None | - | 0 | Golden hamster | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 893 | 16 | 9 | 9 | 2.8 | CC(C)C[C@@H]1CN[C@@H](CCCCNC(=O)OCc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N1 | 10.1021/jm00047a020 | ||
| CHEMBL333027 | 121030 | 0 | None | - | 0 | Golden hamster | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 893 | 16 | 9 | 9 | 2.8 | CC(C)C[C@@H]1CN[C@@H](CCCCNC(=O)OCc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N1 | 10.1021/jm00047a020 | ||
| 9875181 | 178122 | 0 | None | - | 0 | Guinea pig | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 725 | 12 | 0 | 6 | 6.7 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(N2CCCC(CC(=O)N(C)C)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| CHEMBL446146 | 178122 | 0 | None | - | 0 | Guinea pig | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 725 | 12 | 0 | 6 | 6.7 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(N2CCCC(CC(=O)N(C)C)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| 57391132 | 75141 | 0 | None | - | 0 | Human | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 599 | 10 | 3 | 6 | 2.6 | COC(=O)C1=C2CCC(C(=O)N[C@@H](CCc3c[nH]c4ccccc34)C(=O)N(C)Cc3ccccc3)N2C(=O)C(NC(C)=O)C1 | 10.1016/j.ejmech.2011.08.042 | ||
| CHEMBL1916634 | 75141 | 0 | None | - | 0 | Human | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 599 | 10 | 3 | 6 | 2.6 | COC(=O)C1=C2CCC(C(=O)N[C@@H](CCc3c[nH]c4ccccc34)C(=O)N(C)Cc3ccccc3)N2C(=O)C(NC(C)=O)C1 | 10.1016/j.ejmech.2011.08.042 | ||
| 44307953 | 175973 | 0 | None | - | 0 | Guinea pig | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 784 | 12 | 1 | 7 | 6.4 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(N2CCCC(CC(=O)[S+]3CCNCC3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| CHEMBL440679 | 175973 | 0 | None | - | 0 | Guinea pig | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 784 | 12 | 1 | 7 | 6.4 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(N2CCCC(CC(=O)[S+]3CCNCC3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| CHEMBL540651 | 175973 | 0 | None | - | 0 | Guinea pig | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 784 | 12 | 1 | 7 | 6.4 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(N2CCCC(CC(=O)[S+]3CCNCC3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| CHEMBL438716 | 220567 | 0 | None | - | 0 | Golden hamster | 5.2 | pKd | = | 5.2 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O | 10.1021/jm00014a022 | ||||
| CHEMBL216897 | 216123 | 0 | None | - | 0 | Rabbit | 5.2 | pKd | = | 5.2 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O | 10.1021/jm00014a022 | ||||
| 132837 | 9018 | 55 | None | - | 4 | Rabbit | 5.2 | pKd | = | 5.2 | Functional | ChEMBL | 472 | 6 | 2 | 3 | 5.0 | CC(=O)N[C@H](C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)Cc1c[nH]c2c1cccc2 | 10.1016/S0960-894X(96)00604-X | ||
| 9461 | 9018 | 55 | None | - | 4 | Rabbit | 5.2 | pKd | = | 5.2 | Functional | ChEMBL | 472 | 6 | 2 | 3 | 5.0 | CC(=O)N[C@H](C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)Cc1c[nH]c2c1cccc2 | 10.1016/S0960-894X(96)00604-X | ||
| CHEMBL22870 | 9018 | 55 | None | - | 4 | Rabbit | 5.2 | pKd | = | 5.2 | Functional | ChEMBL | 472 | 6 | 2 | 3 | 5.0 | CC(=O)N[C@H](C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)Cc1c[nH]c2c1cccc2 | 10.1016/S0960-894X(96)00604-X | ||
| CHEMBL407328 | 219433 | 0 | None | - | 0 | Rabbit | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O | 10.1021/jm00014a022 | ||||
| CHEMBL263997 | 217380 | 0 | None | - | 0 | Golden hamster | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O | 10.1021/jm00014a022 | ||||
| CHEMBL441181 | 220660 | 0 | None | - | 0 | Golden hamster | 5.2 | pKd | = | 5.2 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)O | 10.1021/jm00014a022 | ||||
| 44346487 | 120907 | 0 | None | - | 0 | Golden hamster | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 746 | 11 | 9 | 8 | 0.2 | CC(C)C[C@@H]1CN[C@@H](CC(=O)O)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N1 | 10.1021/jm00047a020 | ||
| CHEMBL332872 | 120907 | 0 | None | - | 0 | Golden hamster | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 746 | 11 | 9 | 8 | 0.2 | CC(C)C[C@@H]1CN[C@@H](CC(=O)O)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N1 | 10.1021/jm00047a020 | ||
| 44346706 | 174948 | 0 | None | - | 0 | Rabbit | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 745 | 11 | 9 | 8 | -0.4 | CC(C)C[C@@H]1CN[C@@H](CC(N)=O)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N1 | 10.1021/jm00047a020 | ||
| CHEMBL433192 | 174948 | 0 | None | - | 0 | Rabbit | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 745 | 11 | 9 | 8 | -0.4 | CC(C)C[C@@H]1CN[C@@H](CC(N)=O)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N1 | 10.1021/jm00047a020 | ||
| 44374622 | 126841 | 0 | None | - | 0 | Rabbit | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 825 | 11 | 10 | 10 | -0.8 | CC(=O)NC1C(NC(=O)C[C@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)OC(CO)C(O)C1O | 10.1016/s0960-894x(01)00841-1 | ||
| CHEMBL350596 | 126841 | 0 | None | - | 0 | Rabbit | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 825 | 11 | 10 | 10 | -0.8 | CC(=O)NC1C(NC(=O)C[C@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)OC(CO)C(O)C1O | 10.1016/s0960-894x(01)00841-1 | ||
| CHEMBL327457 | 218072 | 0 | None | - | 0 | Rat | 5.1 | pKd | = | 5.1 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(=O)O)C(=O)O | 10.1021/jm00014a022 | ||||
| CHEMBL385603 | 219136 | 0 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)O | 10.1021/jm00014a022 | ||||
| 44347002 | 119611 | 0 | None | - | 0 | Rabbit | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 778 | 11 | 8 | 7 | 1.9 | CC(C)C[C@@H]1CN[C@@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N1 | 10.1021/jm00047a020 | ||
| CHEMBL330810 | 119611 | 0 | None | - | 0 | Rabbit | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 778 | 11 | 8 | 7 | 1.9 | CC(C)C[C@@H]1CN[C@@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N1 | 10.1021/jm00047a020 | ||
| 44346881 | 148301 | 0 | None | - | 0 | Rabbit | 5.1 | pKd | = | 5.1 | Functional | ChEMBL | 923 | 13 | 9 | 9 | 1.5 | CC(C)C[C@H]1NC(=O)CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](CC(=O)N(N)C[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)NC1=O | 10.1021/jm00047a020 | ||
| CHEMBL384610 | 148301 | 0 | None | - | 0 | Rabbit | 5.1 | pKd | = | 5.1 | Functional | ChEMBL | 923 | 13 | 9 | 9 | 1.5 | CC(C)C[C@H]1NC(=O)CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](CC(=O)N(N)C[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)NC1=O | 10.1021/jm00047a020 | ||
| CHEMBL406487 | 219389 | 0 | None | - | 0 | Rat | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | None | None | None | CC(C)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCN=C(N)N)C(=O)O | 10.1021/jm00014a022 | ||||
| CHEMBL387199 | 219186 | 0 | None | - | 0 | Rabbit | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)O | 10.1021/jm00014a022 | ||||
| CHEMBL327457 | 218072 | 0 | None | - | 0 | Golden hamster | 5.0 | pKd | = | 5.0 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(=O)O)C(=O)O | 10.1021/jm00014a022 | ||||
| CHEMBL412189 | 219754 | 0 | None | - | 0 | Golden hamster | 6.0 | pKd | = | 6.0 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/jm00014a022 | ||||
| CHEMBL413730 | 219864 | 0 | None | - | 0 | Rat | 5.0 | pKd | = | 5.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00014a022 | ||||
| 44434204 | 160347 | 0 | None | - | 0 | Guinea pig | 7.0 | pKi | = | 7 | Functional | ChEMBL | 610 | 11 | 3 | 6 | 3.7 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)Cc2ccccc2C1)c1cc2ccccc2s1 | 10.1016/j.bmcl.2007.06.053 | ||
| CHEMBL398028 | 160347 | 0 | None | - | 0 | Guinea pig | 7.0 | pKi | = | 7 | Functional | ChEMBL | 610 | 11 | 3 | 6 | 3.7 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)Cc2ccccc2C1)c1cc2ccccc2s1 | 10.1016/j.bmcl.2007.06.053 | ||
| 10166998 | 173460 | 0 | None | - | 0 | Guinea pig | 7.0 | pKi | = | 7 | Functional | ChEMBL | 576 | 11 | 3 | 6 | 3.9 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCCC1)c1cc2ccccc2s1 | 10.1016/j.bmcl.2007.06.053 | ||
| CHEMBL428203 | 173460 | 0 | None | - | 0 | Guinea pig | 7.0 | pKi | = | 7 | Functional | ChEMBL | 576 | 11 | 3 | 6 | 3.9 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCCC1)c1cc2ccccc2s1 | 10.1016/j.bmcl.2007.06.053 | ||
| 44434205 | 96177 | 0 | None | - | 0 | Guinea pig | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 623 | 11 | 3 | 6 | 3.7 | CN1CCN(CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(NC(=O)c3cc4ccccc4s3)Cc3ccccc3C2)CC1 | 10.1016/j.bmcl.2007.06.053 | ||
| CHEMBL237048 | 96177 | 0 | None | - | 0 | Guinea pig | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 623 | 11 | 3 | 6 | 3.7 | CN1CCN(CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(NC(=O)c3cc4ccccc4s3)Cc3ccccc3C2)CC1 | 10.1016/j.bmcl.2007.06.053 | ||
| 44434197 | 156005 | 0 | None | - | 0 | Guinea pig | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 610 | 11 | 3 | 6 | 4.0 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCc2ccccc21)c1cc2ccccc2s1 | 10.1016/j.bmcl.2007.06.053 | ||
| CHEMBL394419 | 156005 | 0 | None | - | 0 | Guinea pig | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 610 | 11 | 3 | 6 | 4.0 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCc2ccccc21)c1cc2ccccc2s1 | 10.1016/j.bmcl.2007.06.053 | ||
| 10121831 | 96214 | 0 | None | - | 0 | Guinea pig | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 618 | 17 | 3 | 5 | 6.5 | CCCCN(CCCC)CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1 | 10.1016/j.bmcl.2007.06.053 | ||
| CHEMBL237097 | 96214 | 0 | None | - | 0 | Guinea pig | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 618 | 17 | 3 | 5 | 6.5 | CCCCN(CCCC)CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1 | 10.1016/j.bmcl.2007.06.053 | ||
| 44434203 | 156006 | 0 | None | - | 0 | Guinea pig | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 594 | 11 | 3 | 5 | 4.5 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCCC2)Cc2ccccc2C1)c1cc2ccccc2s1 | 10.1016/j.bmcl.2007.06.053 | ||
| CHEMBL394420 | 156006 | 0 | None | - | 0 | Guinea pig | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 594 | 11 | 3 | 5 | 4.5 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCCC2)Cc2ccccc2C1)c1cc2ccccc2s1 | 10.1016/j.bmcl.2007.06.053 | ||
| 44434191 | 156615 | 0 | None | - | 0 | Guinea pig | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 588 | 11 | 3 | 5 | 5.4 | CC1CCCCN1CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1 | 10.1016/j.bmcl.2007.06.053 | ||
| CHEMBL394889 | 156615 | 0 | None | - | 0 | Guinea pig | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 588 | 11 | 3 | 5 | 5.4 | CC1CCCCN1CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1 | 10.1016/j.bmcl.2007.06.053 | ||
| 44434202 | 158949 | 0 | None | - | 0 | Guinea pig | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 652 | 17 | 3 | 5 | 6.3 | CCCCN(CCCC)CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)Cc2ccccc2C1 | 10.1016/j.bmcl.2007.06.053 | ||
| CHEMBL396827 | 158949 | 0 | None | - | 0 | Guinea pig | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 652 | 17 | 3 | 5 | 6.3 | CCCCN(CCCC)CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)Cc2ccccc2C1 | 10.1016/j.bmcl.2007.06.053 | ||
| 10281234 | 99009 | 0 | None | - | 0 | Guinea pig | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 562 | 11 | 3 | 6 | 3.5 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1cc2ccccc2s1 | 10.1016/j.bmcl.2007.06.053 | ||
| CHEMBL242631 | 99009 | 0 | None | - | 0 | Guinea pig | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 562 | 11 | 3 | 6 | 3.5 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1cc2ccccc2s1 | 10.1016/j.bmcl.2007.06.053 | ||
| 44434198 | 156602 | 0 | None | - | 0 | Guinea pig | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 623 | 11 | 3 | 6 | 4.0 | CN1CCN(CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(NC(=O)c3cc4ccccc4s3)CCc3ccccc32)CC1 | 10.1016/j.bmcl.2007.06.053 | ||
| CHEMBL394878 | 156602 | 0 | None | - | 0 | Guinea pig | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 623 | 11 | 3 | 6 | 4.0 | CN1CCN(CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(NC(=O)c3cc4ccccc4s3)CCc3ccccc32)CC1 | 10.1016/j.bmcl.2007.06.053 | ||
| 3881 | 8635 | 0 | None | - | 1 | Rat | 8.4 | pEC50 | = | 8.4 | Functional | Guide to Pharmacology | None | None | None | None | 1331460 | ||||
| 2091 | 9571 | 0 | None | 223 | 2 | Guinea pig | 8.8 | pEC50 | = | 8.8 | Functional | Guide to Pharmacology | None | None | None | None | 1311427 | ||||
| 2089 | 9542 | 28 | None | -1 | 8 | Guinea pig | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | None | None | None | None | 2426129 | ||||
| 3795 | 9542 | 28 | None | -1 | 8 | Guinea pig | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | None | None | None | None | 2426129 | ||||
| 5311311 | 9542 | 28 | None | -1 | 8 | Guinea pig | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | None | None | None | None | 2426129 | ||||
| CHEMBL217406 | 9542 | 28 | None | -1 | 8 | Guinea pig | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | None | None | None | None | 2426129 | ||||
| 16132172 | 9568 | 0 | None | - | 1 | Guinea pig | 9.5 | pEC50 | = | 9.5 | Functional | Guide to Pharmacology | None | None | None | None | 1311427 | ||||
| 3667 | 9568 | 0 | None | - | 1 | Guinea pig | 9.5 | pEC50 | = | 9.5 | Functional | Guide to Pharmacology | None | None | None | None | 1311427 | ||||
| 30699 | 224483 | 0 | None | -1 | 14 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 423 | 7 | 2 | 8 | 0.5 | CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)CSC1=CC=NC=C1)C2=O)C(O)=O | None | ||
| 104974 | 10248 | 31 | None | 6 | 5 | Guinea pig | 10.3 | pIC50 | = | 10.3 | Functional | Guide to Pharmacology | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 1334836 | ||
| 2111 | 10248 | 31 | None | 6 | 5 | Guinea pig | 10.3 | pIC50 | = | 10.3 | Functional | Guide to Pharmacology | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 1334836 | ||
| 3481 | 10248 | 31 | None | 6 | 5 | Guinea pig | 10.3 | pIC50 | = | 10.3 | Functional | Guide to Pharmacology | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 1334836 | ||
| CHEMBL308148 | 10248 | 31 | None | 6 | 5 | Guinea pig | 10.3 | pIC50 | = | 10.3 | Functional | Guide to Pharmacology | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 1334836 | ||
| DB06660 | 10248 | 31 | None | 6 | 5 | Guinea pig | 10.3 | pIC50 | = | 10.3 | Functional | Guide to Pharmacology | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 1334836 | ||
| 3843 | 9215 | 0 | None | - | 1 | Rat | 9.1 | pIC50 | = | 9.1 | Functional | Guide to Pharmacology | None | None | None | None | 9718274 | ||||
| Ligands | Receptor | Assay information | Chemical information | ||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sel. page | Common name |
GPCRdb ID | #Vendors | Reference ligand |
Fold selectivity (Affinity) |
# tested GPCRs (Affinity) |
Species | p-value (-log) |
Type | Activity Relation |
Activity Value |
Assay Type | Assay Description | Source | Mol weight |
Rot Bonds |
H don | H acc | LogP | Smiles | DOI |
| 1024 | 8072 | 71 | None | - | 1 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | ||||
| 162639143 | 8072 | 71 | None | - | 1 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | ||||
| 5284373 | 8072 | 71 | None | - | 1 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | ||||
| 760 | 8072 | 71 | None | - | 1 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | ||||
| CHEMBL160 | 8072 | 71 | None | - | 1 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | ||||
| DB00091 | 8072 | 71 | None | - | 1 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | ||||
| 73348210 | 217728 | 0 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | None | None | None | NCCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](c2ccccc2)NC(=O)[C@@H]2C[C@H](OC(=O)NCCN)CN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC1=O | 10.1038/s41467-023-40064-9 | ||||
| CHEMBL3039583 | 217728 | 0 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | None | None | None | NCCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](c2ccccc2)NC(=O)[C@@H]2C[C@H](OC(=O)NCCN)CN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC1=O | 10.1038/s41467-023-40064-9 | ||||
| nan | 217728 | 0 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | None | None | None | NCCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](c2ccccc2)NC(=O)[C@@H]2C[C@H](OC(=O)NCCN)CN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC1=O | 10.1038/s41467-023-40064-9 | ||||
| 124003 | 9264 | 22 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | None | None | None | None | 10.1021/np058114h | ||||
| 2116 | 9264 | 22 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | None | None | None | None | 10.1021/np058114h | ||||
| CHEMBL507824 | 9264 | 22 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | None | None | None | None | 10.1021/np058114h | ||||
| CHEMBL334721 | 218178 | 1 | None | - | 3 | Golden hamster | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | None | None | None | CSCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CNC(=O)C[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2 | 10.1016/S0960-894X(96)00570-7 | ||||
| 104974 | 10248 | 31 | None | 1 | 7 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 10.1016/s0960-894x(98)00395-3 | ||
| 2111 | 10248 | 31 | None | 1 | 7 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 10.1016/s0960-894x(98)00395-3 | ||
| 3481 | 10248 | 31 | None | 1 | 7 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 10.1016/s0960-894x(98)00395-3 | ||
| CHEMBL308148 | 10248 | 31 | None | 1 | 7 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 10.1016/s0960-894x(98)00395-3 | ||
| DB06660 | 10248 | 31 | None | 1 | 7 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 10.1016/s0960-894x(98)00395-3 | ||
| 68932311 | 131571 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 565 | 5 | 1 | 4 | 4.3 | CN(C(=O)c1ccc(Cl)cc1)[C@@H]1CCN(C(=O)C2CCN(C(=O)CO)CC2)C[C@H]1c1ccc(Cl)c(Cl)c1 | nan | ||
| CHEMBL3642170 | 131571 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 565 | 5 | 1 | 4 | 4.3 | CN(C(=O)c1ccc(Cl)cc1)[C@@H]1CCN(C(=O)C2CCN(C(=O)CO)CC2)C[C@H]1c1ccc(Cl)c(Cl)c1 | nan | ||
| 68870199 | 131572 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 535 | 5 | 0 | 3 | 5.8 | CC(=O)N1CCC(CN2CC[C@@H](N(C)C(=O)c3ccc(Cl)cc3)[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1 | nan | ||
| CHEMBL3642171 | 131572 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 535 | 5 | 0 | 3 | 5.8 | CC(=O)N1CCC(CN2CC[C@@H](N(C)C(=O)c3ccc(Cl)cc3)[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1 | nan | ||
| 68932793 | 131574 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 599 | 5 | 1 | 4 | 4.7 | CN(C(=O)c1ccc(C(F)(F)F)cc1)[C@@H]1CCN(C(=O)C2CCN(C(=O)CO)CC2)C[C@H]1c1ccc(Cl)c(Cl)c1 | nan | ||
| CHEMBL3642173 | 131574 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 599 | 5 | 1 | 4 | 4.7 | CN(C(=O)c1ccc(C(F)(F)F)cc1)[C@@H]1CCN(C(=O)C2CCN(C(=O)CO)CC2)C[C@H]1c1ccc(Cl)c(Cl)c1 | nan | ||
| 68930433 | 131567 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 583 | 4 | 0 | 3 | 5.7 | CC(=O)N1CCC(C(=O)N2CC[C@@H](N(C)C(=O)c3ccc(C(F)(F)F)cc3)[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1 | nan | ||
| CHEMBL3642166 | 131567 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 583 | 4 | 0 | 3 | 5.7 | CC(=O)N1CCC(C(=O)N2CC[C@@H](N(C)C(=O)c3ccc(C(F)(F)F)cc3)[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1 | nan | ||
| 68928720 | 131575 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 609 | 5 | 1 | 4 | 4.4 | CN(C(=O)c1ccc(Br)cc1)[C@@H]1CCN(C(=O)C2CCN(C(=O)CO)CC2)C[C@H]1c1ccc(Cl)c(Cl)c1 | nan | ||
| CHEMBL3642174 | 131575 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 609 | 5 | 1 | 4 | 4.4 | CN(C(=O)c1ccc(Br)cc1)[C@@H]1CCN(C(=O)C2CCN(C(=O)CO)CC2)C[C@H]1c1ccc(Cl)c(Cl)c1 | nan | ||
| 68870858 | 131569 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 555 | 5 | 0 | 3 | 5.6 | CC(=O)N1CCC(C(=O)N2CC[C@@H](N(C)C(=O)c3ccc(C4CC4)cc3)[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1 | nan | ||
| CHEMBL3642168 | 131569 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 555 | 5 | 0 | 3 | 5.6 | CC(=O)N1CCC(C(=O)N2CC[C@@H](N(C)C(=O)c3ccc(C4CC4)cc3)[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1 | nan | ||
| 68870105 | 131565 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 549 | 4 | 0 | 3 | 5.4 | CC(=O)N1CCC(C(=O)N2CC[C@@H](N(C)C(=O)c3ccc(Cl)cc3)[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1 | nan | ||
| CHEMBL3642164 | 131565 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 549 | 4 | 0 | 3 | 5.4 | CC(=O)N1CCC(C(=O)N2CC[C@@H](N(C)C(=O)c3ccc(Cl)cc3)[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1 | nan | ||
| 68932418 | 131573 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 642 | 6 | 1 | 6 | 4.1 | CN(C(=O)c1ccc(N2CCOCC2)cc1)[C@@H]1CCN(C(=O)C2CCN(C(=O)C3(O)CC3)CC2)C[C@H]1c1ccc(Cl)c(Cl)c1 | nan | ||
| CHEMBL3642172 | 131573 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 642 | 6 | 1 | 6 | 4.1 | CN(C(=O)c1ccc(N2CCOCC2)cc1)[C@@H]1CCN(C(=O)C2CCN(C(=O)C3(O)CC3)CC2)C[C@H]1c1ccc(Cl)c(Cl)c1 | nan | ||
| 68928842 | 131576 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 600 | 5 | 1 | 5 | 4.1 | CN(C(=O)c1ccc(C(F)(F)F)cn1)[C@@H]1CCN(C(=O)C2CCN(C(=O)CO)CC2)C[C@H]1c1ccc(Cl)c(Cl)c1 | nan | ||
| CHEMBL3642175 | 131576 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 600 | 5 | 1 | 5 | 4.1 | CN(C(=O)c1ccc(C(F)(F)F)cn1)[C@@H]1CCN(C(=O)C2CCN(C(=O)CO)CC2)C[C@H]1c1ccc(Cl)c(Cl)c1 | nan | ||
| 9959481 | 71993 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 559 | 7 | 0 | 3 | 6.2 | O=C1CC[C@](CCN2CC(N3CCC(F)CC3)C2)(c2ccc(Cl)c(Cl)c2)CN1CC1CCC(F)(F)CC1 | 10.1016/j.bmcl.2005.05.134 | ||
| CHEMBL182600 | 71993 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 559 | 7 | 0 | 3 | 6.2 | O=C1CC[C@](CCN2CC(N3CCC(F)CC3)C2)(c2ccc(Cl)c(Cl)c2)CN1CC1CCC(F)(F)CC1 | 10.1016/j.bmcl.2005.05.134 | ||
| 68869786 | 131568 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 600 | 5 | 0 | 5 | 4.5 | CC(=O)N1CCC(C(=O)N2CC[C@@H](N(C)C(=O)c3ccc(N4CCOCC4)cc3)[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1 | nan | ||
| CHEMBL3642167 | 131568 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 600 | 5 | 0 | 5 | 4.5 | CC(=O)N1CCC(C(=O)N2CC[C@@H](N(C)C(=O)c3ccc(N4CCOCC4)cc3)[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1 | nan | ||
| 104974 | 10248 | 31 | None | 1 | 7 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 10.1016/0960-894X(96)00148-5 | ||
| 2111 | 10248 | 31 | None | 1 | 7 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 10.1016/0960-894X(96)00148-5 | ||
| 3481 | 10248 | 31 | None | 1 | 7 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 10.1016/0960-894X(96)00148-5 | ||
| CHEMBL308148 | 10248 | 31 | None | 1 | 7 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 10.1016/0960-894X(96)00148-5 | ||
| DB06660 | 10248 | 31 | None | 1 | 7 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 10.1016/0960-894X(96)00148-5 | ||
| 71699787 | 131558 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 593 | 4 | 0 | 3 | 5.5 | CC(=O)N1CCC(C(=O)N2CC[C@@H](N(C)C(=O)c3ccc(Br)cc3)C(c3ccc(Cl)c(Cl)c3)C2)CC1 | nan | ||
| CHEMBL3642157 | 131558 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 593 | 4 | 0 | 3 | 5.5 | CC(=O)N1CCC(C(=O)N2CC[C@@H](N(C)C(=O)c3ccc(Br)cc3)C(c3ccc(Cl)c(Cl)c3)C2)CC1 | nan | ||
| 693306 | 167208 | 57 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 290 | 6 | 0 | 3 | 4.1 | CCOc1cc(C=O)ccc1OCc1ccc(Cl)cc1 | nan | ||
| CHEMBL4111499 | 167208 | 57 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 290 | 6 | 0 | 3 | 4.1 | CCOc1cc(C=O)ccc1OCc1ccc(Cl)cc1 | nan | ||
| 68932391 | 131566 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 545 | 5 | 0 | 4 | 4.7 | COc1ccc(C(=O)N(C)[C@@H]2CCN(C(=O)C3CCN(C(C)=O)CC3)C[C@H]2c2ccc(Cl)c(Cl)c2)cc1 | nan | ||
| CHEMBL3642165 | 131566 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 545 | 5 | 0 | 4 | 4.7 | COc1ccc(C(=O)N(C)[C@@H]2CCN(C(=O)C3CCN(C(C)=O)CC3)C[C@H]2c2ccc(Cl)c(Cl)c2)cc1 | nan | ||
| 42611207 | 131564 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 651 | 4 | 0 | 3 | 6.7 | CC(=O)N1CCC(C(=O)N2CC[C@@H](N(C)C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1 | nan | ||
| CHEMBL3642163 | 131564 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 651 | 4 | 0 | 3 | 6.7 | CC(=O)N1CCC(C(=O)N2CC[C@@H](N(C)C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1 | nan | ||
| 10929285 | 73483 | 0 | None | - | 2 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 507 | 7 | 0 | 4 | 4.8 | O=C1CC[C@](CCN2CC(N3CCOCC3)C2)(c2ccc(Cl)c(Cl)c2)CN1CC1CCCCC1 | 10.1016/j.bmcl.2005.05.134 | ||
| CHEMBL185572 | 73483 | 0 | None | - | 2 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 507 | 7 | 0 | 4 | 4.8 | O=C1CC[C@](CCN2CC(N3CCOCC3)C2)(c2ccc(Cl)c(Cl)c2)CN1CC1CCCCC1 | 10.1016/j.bmcl.2005.05.134 | ||
| 104974 | 10248 | 31 | None | 1 | 7 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 10.1016/0960-894X(96)00075-3 | ||
| 2111 | 10248 | 31 | None | 1 | 7 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 10.1016/0960-894X(96)00075-3 | ||
| 3481 | 10248 | 31 | None | 1 | 7 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 10.1016/0960-894X(96)00075-3 | ||
| CHEMBL308148 | 10248 | 31 | None | 1 | 7 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 10.1016/0960-894X(96)00075-3 | ||
| DB06660 | 10248 | 31 | None | 1 | 7 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 10.1016/0960-894X(96)00075-3 | ||
| 68932301 | 131570 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 594 | 4 | 0 | 4 | 4.9 | CC(=O)N1CCC(C(=O)N2CC[C@@H](N(C)C(=O)c3ccc(Br)cn3)[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1 | nan | ||
| CHEMBL3642169 | 131570 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 594 | 4 | 0 | 4 | 4.9 | CC(=O)N1CCC(C(=O)N2CC[C@@H](N(C)C(=O)c3ccc(Br)cn3)[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1 | nan | ||
| 2089 | 9542 | 28 | None | - | 5 | Golden hamster | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00099a024 | ||||
| 3795 | 9542 | 28 | None | - | 5 | Golden hamster | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00099a024 | ||||
| 5311311 | 9542 | 28 | None | - | 5 | Golden hamster | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00099a024 | ||||
| CHEMBL217406 | 9542 | 28 | None | - | 5 | Golden hamster | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00099a024 | ||||
| 10033398 | 124070 | 0 | None | - | 0 | Golden hamster | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 824 | 27 | 9 | 10 | -0.0 | CCCN(C[C@H](CC(C)C)NC(=O)CCNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(=O)O)C(C)C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00099a024 | ||
| CHEMBL339591 | 124070 | 0 | None | - | 0 | Golden hamster | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 824 | 27 | 9 | 10 | -0.0 | CCCN(C[C@H](CC(C)C)NC(=O)CCNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(=O)O)C(C)C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00099a024 | ||
| 44392491 | 175089 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 556 | 7 | 1 | 4 | 5.2 | NC1CCN(C2CN(CC[C@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CCC(F)(F)CC4)C3)C2)CC1 | 10.1016/j.bmcl.2005.05.134 | ||
| CHEMBL434142 | 175089 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 556 | 7 | 1 | 4 | 5.2 | NC1CCN(C2CN(CC[C@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CCC(F)(F)CC4)C3)C2)CC1 | 10.1016/j.bmcl.2005.05.134 | ||
| 71699790 | 131561 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 549 | 4 | 0 | 3 | 5.4 | CC(=O)N1CCC(C(=O)N2CC[C@@H](N(C)C(=O)c3ccc(Cl)cc3)C(c3ccc(Cl)c(Cl)c3)C2)CC1 | nan | ||
| CHEMBL3642160 | 131561 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 549 | 4 | 0 | 3 | 5.4 | CC(=O)N1CCC(C(=O)N2CC[C@@H](N(C)C(=O)c3ccc(Cl)cc3)C(c3ccc(Cl)c(Cl)c3)C2)CC1 | nan | ||
| 72548703 | 168346 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 583 | 8 | 3 | 6 | 5.8 | CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12 | 10.1016/j.bmcl.2018.03.093 | ||
| CHEMBL4128926 | 168346 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 583 | 8 | 3 | 6 | 5.8 | CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12 | 10.1016/j.bmcl.2018.03.093 | ||
| 44392351 | 73176 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 620 | 8 | 0 | 5 | 4.3 | CS(=O)(=O)N1CCN(C2CN(CC[C@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CCC(F)(F)CC4)C3)C2)CC1 | 10.1016/j.bmcl.2005.05.134 | ||
| CHEMBL185182 | 73176 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 620 | 8 | 0 | 5 | 4.3 | CS(=O)(=O)N1CCN(C2CN(CC[C@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CCC(F)(F)CC4)C3)C2)CC1 | 10.1016/j.bmcl.2005.05.134 | ||
| 44392439 | 175154 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 557 | 7 | 1 | 4 | 5.2 | O=C1CC[C@](CCN2CC(N3CCC(O)CC3)C2)(c2ccc(Cl)c(Cl)c2)CN1CC1CCC(F)(F)CC1 | 10.1016/j.bmcl.2005.05.134 | ||
| CHEMBL434548 | 175154 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 557 | 7 | 1 | 4 | 5.2 | O=C1CC[C@](CCN2CC(N3CCC(O)CC3)C2)(c2ccc(Cl)c(Cl)c2)CN1CC1CCC(F)(F)CC1 | 10.1016/j.bmcl.2005.05.134 | ||
| 2089 | 9542 | 28 | None | 102 | 5 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | ||||
| 3795 | 9542 | 28 | None | 102 | 5 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | ||||
| 5311311 | 9542 | 28 | None | 102 | 5 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | ||||
| CHEMBL217406 | 9542 | 28 | None | 102 | 5 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | ||||
| 71699791 | 131562 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 591 | 5 | 0 | 3 | 6.4 | CC(=O)N1CCC(C(=O)N2CC[C@@H](N(C)C(=O)c3ccc(-c4ccccc4)cc3)C(c3ccc(Cl)c(Cl)c3)C2)CC1 | nan | ||
| CHEMBL3642161 | 131562 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 591 | 5 | 0 | 3 | 6.4 | CC(=O)N1CCC(C(=O)N2CC[C@@H](N(C)C(=O)c3ccc(-c4ccccc4)cc3)C(c3ccc(Cl)c(Cl)c3)C2)CC1 | nan | ||
| 10327914 | 24863 | 0 | None | - | 0 | Golden hamster | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 782 | 25 | 10 | 10 | -1.1 | CC(C)C[C@@H](CN[C@@H](Cc1ccccc1)C(N)=O)NC(=O)CCNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(=O)O)C(C)C | 10.1021/jm00099a024 | ||
| CHEMBL126776 | 24863 | 0 | None | - | 0 | Golden hamster | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 782 | 25 | 10 | 10 | -1.1 | CC(C)C[C@@H](CN[C@@H](Cc1ccccc1)C(N)=O)NC(=O)CCNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(=O)O)C(C)C | 10.1021/jm00099a024 | ||
| 44392444 | 129112 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 481 | 7 | 0 | 3 | 4.8 | O=C1CC[C@](CCN2CC(N3CCC(F)CC3)C2)(c2ccc(Cl)c(Cl)c2)CN1CC1CC1 | 10.1016/j.bmcl.2005.05.134 | ||
| CHEMBL359903 | 129112 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 481 | 7 | 0 | 3 | 4.8 | O=C1CC[C@](CCN2CC(N3CCC(F)CC3)C2)(c2ccc(Cl)c(Cl)c2)CN1CC1CC1 | 10.1016/j.bmcl.2005.05.134 | ||
| 44319321 | 20476 | 0 | None | - | 0 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 640 | 10 | 1 | 7 | 5.1 | COc1cc(C(=O)N2CC[C@](CCN3CCC(C(N)=O)(c4ccncc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC | 10.1016/S0960-894X(97)10013-0 | ||
| CHEMBL1194933 | 20476 | 0 | None | - | 0 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 640 | 10 | 1 | 7 | 5.1 | COc1cc(C(=O)N2CC[C@](CCN3CCC(C(N)=O)(c4ccncc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC | 10.1016/S0960-894X(97)10013-0 | ||
| CHEMBL553554 | 20476 | 0 | None | - | 0 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 640 | 10 | 1 | 7 | 5.1 | COc1cc(C(=O)N2CC[C@](CCN3CCC(C(N)=O)(c4ccncc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC | 10.1016/S0960-894X(97)10013-0 | ||
| 73265452 | 133223 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 609 | 4 | 0 | 4 | 5.8 | CN(C(=O)N(C)[C@@H]1CCN(C2CCS(=O)(=O)CC2)C[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 | nan | ||
| CHEMBL3651890 | 133223 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 609 | 4 | 0 | 4 | 5.8 | CN(C(=O)N(C)[C@@H]1CCN(C2CCS(=O)(=O)CC2)C[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 | nan | ||
| 91535935 | 165398 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 532 | 7 | 1 | 4 | 6.8 | C[C@H](NC(=O)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 | 10.1021/acsmedchemlett.7b00094 | ||
| CHEMBL4092276 | 165398 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 532 | 7 | 1 | 4 | 6.8 | C[C@H](NC(=O)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 | 10.1021/acsmedchemlett.7b00094 | ||
| 44411742 | 85078 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 441 | 4 | 1 | 3 | 4.5 | O=C(CC1CCN(C(=O)c2cccc(C#Cc3ccccn3)c2)CC1)Nc1ccc(F)cc1 | 10.1016/j.bmcl.2006.02.027 | ||
| CHEMBL210811 | 85078 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 441 | 4 | 1 | 3 | 4.5 | O=C(CC1CCN(C(=O)c2cccc(C#Cc3ccccn3)c2)CC1)Nc1ccc(F)cc1 | 10.1016/j.bmcl.2006.02.027 | ||
| 2812 | 11551 | 101 | None | -28 | 34 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | ||
| CHEMBL104 | 11551 | 101 | None | -28 | 34 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | ||
| 2090 | 9543 | 25 | None | -38 | 4 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | ||||
| 5311312 | 9543 | 25 | None | -38 | 4 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | ||||
| CHEMBL437797 | 9543 | 25 | None | -38 | 4 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | ||||
| 10010429 | 25814 | 0 | None | - | 0 | Golden hamster | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 776 | 26 | 9 | 10 | -0.6 | CCCN(C[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(=O)O)C(C)C)[C@@H](CC(C)C)C(N)=O | 10.1021/jm00099a024 | ||
| CHEMBL128854 | 25814 | 0 | None | - | 0 | Golden hamster | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 776 | 26 | 9 | 10 | -0.6 | CCCN(C[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(=O)O)C(C)C)[C@@H](CC(C)C)C(N)=O | 10.1021/jm00099a024 | ||
| 49863734 | 22105 | 0 | None | -13 | 4 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 1477 | 21 | 11 | 14 | 6.8 | CCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/jm100157m | ||
| CHEMBL1214027 | 22105 | 0 | None | -13 | 4 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 1477 | 21 | 11 | 14 | 6.8 | CCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/jm100157m | ||
| CHEMBL103634 | 215237 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | None | None | None | CC(C)CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(C)C)C(N)=O | 10.1021/jm9807151 | ||||
| 44305248 | 209666 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 585 | 8 | 1 | 3 | 7.0 | CN(C)CCCNC(=O)c1ccc(-c2ccc(Cl)cc2)c(N(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 | 10.1016/s0960-894x(02)00382-7 | ||
| CHEMBL62679 | 209666 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 585 | 8 | 1 | 3 | 7.0 | CN(C)CCCNC(=O)c1ccc(-c2ccc(Cl)cc2)c(N(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 | 10.1016/s0960-894x(02)00382-7 | ||
| 10485206 | 124955 | 0 | None | - | 0 | Golden hamster | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 748 | 25 | 10 | 10 | -1.3 | CC(C)C[C@@H](CN[C@@H](CC(C)C)C(N)=O)NC(=O)CCNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(=O)O)C(C)C | 10.1021/jm00099a024 | ||
| CHEMBL340880 | 124955 | 0 | None | - | 0 | Golden hamster | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 748 | 25 | 10 | 10 | -1.3 | CC(C)C[C@@H](CN[C@@H](CC(C)C)C(N)=O)NC(=O)CCNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(=O)O)C(C)C | 10.1021/jm00099a024 | ||
| 44384901 | 176683 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 579 | 8 | 1 | 4 | 5.7 | COc1ccc(C(=O)N2CCC(CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc1 | 10.1016/0960-894X(96)00148-5 | ||
| CHEMBL444086 | 176683 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 579 | 8 | 1 | 4 | 5.7 | COc1ccc(C(=O)N2CCC(CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc1 | 10.1016/0960-894X(96)00148-5 | ||
| 44319082 | 174806 | 0 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 752 | 13 | 1 | 8 | 5.7 | COc1cc(C(=O)N2CCC(CCN3CCC(C(=O)NCCN4CCOCC4)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC | 10.1016/S0960-894X(97)10013-0 | ||
| CHEMBL432183 | 174806 | 0 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 752 | 13 | 1 | 8 | 5.7 | COc1cc(C(=O)N2CCC(CCN3CCC(C(=O)NCCN4CCOCC4)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC | 10.1016/S0960-894X(97)10013-0 | ||
| CHEMBL2372521 | 217048 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C1CCc2ccccc21)C1c2ccccc2-c2ccccc21)C(N)=O | 10.1021/jm00037a009 | ||||
| 10435115 | 127577 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 476 | 7 | 2 | 3 | 5.2 | [O-][S+](c1ccccc1)C(c1ccccc1)C1(O)CCN(CCc2c[nH]c3ccc(F)cc23)CC1 | 10.1016/s0960-894x(01)00074-9 | ||
| CHEMBL355541 | 127577 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 476 | 7 | 2 | 3 | 5.2 | [O-][S+](c1ccccc1)C(c1ccccc1)C1(O)CCN(CCc2c[nH]c3ccc(F)cc23)CC1 | 10.1016/s0960-894x(01)00074-9 | ||
| 9940218 | 125116 | 2 | None | - | 0 | Golden hamster | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 734 | 24 | 10 | 10 | -1.7 | CC(C)C[C@@H](CN[C@@H](CC(C)C)C(N)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(=O)O)C(C)C | 10.1021/jm00099a024 | ||
| CHEMBL341015 | 125116 | 2 | None | - | 0 | Golden hamster | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 734 | 24 | 10 | 10 | -1.7 | CC(C)C[C@@H](CN[C@@H](CC(C)C)C(N)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(=O)O)C(C)C | 10.1021/jm00099a024 | ||
| 67232184 | 133224 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 548 | 4 | 0 | 3 | 4.9 | CC(=O)N1CCC(C(=O)N2C[C@@H](N(C)C(=O)N(C)c3cc(Cl)cc(Cl)c3)[C@H](c3ccc(F)cc3)C2)CC1 | nan | ||
| CHEMBL3651891 | 133224 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 548 | 4 | 0 | 3 | 4.9 | CC(=O)N1CCC(C(=O)N2C[C@@H](N(C)C(=O)N(C)c3cc(Cl)cc(Cl)c3)[C@H](c3ccc(F)cc3)C2)CC1 | nan | ||
| 44384902 | 66721 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 579 | 8 | 1 | 4 | 5.7 | COc1cccc(C(=O)N2CCC(CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)c1 | 10.1016/0960-894X(96)00148-5 | ||
| CHEMBL173245 | 66721 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 579 | 8 | 1 | 4 | 5.7 | COc1cccc(C(=O)N2CCC(CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)c1 | 10.1016/0960-894X(96)00148-5 | ||
| 44319222 | 112920 | 0 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 657 | 10 | 1 | 6 | 5.9 | COc1cc(C(=O)N2CCC(CCN3CCC(C(N)=O)(c4ccc(F)cc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC | 10.1016/S0960-894X(97)10013-0 | ||
| CHEMBL313546 | 112920 | 0 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 657 | 10 | 1 | 6 | 5.9 | COc1cc(C(=O)N2CCC(CCN3CCC(C(N)=O)(c4ccc(F)cc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC | 10.1016/S0960-894X(97)10013-0 | ||
| 73265453 | 133225 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 617 | 4 | 0 | 4 | 5.0 | CC(=O)N1CCC(C(=O)N2CC(c3ccc(F)cn3)[C@H](N(C)C(=O)N(C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC1 | nan | ||
| CHEMBL3651892 | 133225 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 617 | 4 | 0 | 4 | 5.0 | CC(=O)N1CCC(C(=O)N2CC(c3ccc(F)cn3)[C@H](N(C)C(=O)N(C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC1 | nan | ||
| CHEMBL2372519 | 217047 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C1CCc2cc3ccccc3cc21)C(N)=O | 10.1021/jm00037a009 | ||||
| 71458131 | 86459 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 589 | 7 | 2 | 3 | 5.4 | CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](/C=C/C(=O)N[C@H]1CCCCNC1=O)Cc1ccc(Cl)cc1 | 10.1016/s0960-894x(00)00260-2 | ||
| CHEMBL2115343 | 86459 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 589 | 7 | 2 | 3 | 5.4 | CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](/C=C/C(=O)N[C@H]1CCCCNC1=O)Cc1ccc(Cl)cc1 | 10.1016/s0960-894x(00)00260-2 | ||
| 71452663 | 85317 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 589 | 7 | 2 | 3 | 5.4 | CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](/C=C/C(=O)N[C@@H]1CCCCNC1=O)Cc1ccc(Cl)cc1 | 10.1016/s0960-894x(00)00260-2 | ||
| CHEMBL2112070 | 85317 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 589 | 7 | 2 | 3 | 5.4 | CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](/C=C/C(=O)N[C@@H]1CCCCNC1=O)Cc1ccc(Cl)cc1 | 10.1016/s0960-894x(00)00260-2 | ||
| 2750 | 210840 | 76 | None | -2 | 12 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 333 | 5 | 1 | 4 | 3.9 | CC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1 | nan | ||
| CHEMBL7002 | 210840 | 76 | None | -2 | 12 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 333 | 5 | 1 | 4 | 3.9 | CC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1 | nan | ||
| 9832198 | 113532 | 0 | None | - | 3 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 788 | 15 | 4 | 8 | 3.2 | CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)CCC(=O)O)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O | 10.1021/jm00063a015 | ||
| CHEMBL3144351 | 113532 | 0 | None | - | 3 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 788 | 15 | 4 | 8 | 3.2 | CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)CCC(=O)O)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O | 10.1021/jm00063a015 | ||
| 44384986 | 136552 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 623 | 9 | 1 | 5 | 6.0 | COc1cc(C(=O)N2CCC(CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1C | 10.1016/0960-894X(96)00148-5 | ||
| CHEMBL367528 | 136552 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 623 | 9 | 1 | 5 | 6.0 | COc1cc(C(=O)N2CCC(CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1C | 10.1016/0960-894X(96)00148-5 | ||
| 10366515 | 64352 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 450 | 6 | 2 | 3 | 4.6 | [O-][S+](CC1(O)CCN(CCc2c[nH]c3ccc(F)cc23)CC1)c1ccc2ccccc2c1 | 10.1016/s0960-894x(01)00074-9 | ||
| CHEMBL166675 | 64352 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 450 | 6 | 2 | 3 | 4.6 | [O-][S+](CC1(O)CCN(CCc2c[nH]c3ccc(F)cc23)CC1)c1ccc2ccccc2c1 | 10.1016/s0960-894x(01)00074-9 | ||
| CHEMBL2372516 | 217044 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C1c2ccccc2-c2ccccc21)C(N)=O | 10.1021/jm00037a009 | ||||
| 137647980 | 164716 | 3 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 600 | 7 | 1 | 4 | 7.9 | C[C@H](NC(=O)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2cccc(C(F)(F)F)c2)nc2ccccc12)c1ccccc1 | 10.1021/acsmedchemlett.7b00094 | ||
| CHEMBL4084542 | 164716 | 3 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 600 | 7 | 1 | 4 | 7.9 | C[C@H](NC(=O)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2cccc(C(F)(F)F)c2)nc2ccccc12)c1ccccc1 | 10.1021/acsmedchemlett.7b00094 | ||
| CHEMBL341065 | 218418 | 0 | None | - | 0 | Golden hamster | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(N)=O | 10.1021/jm00099a024 | ||||
| CHEMBL449091 | 220739 | 0 | None | - | 0 | Golden hamster | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | None | None | None | C/C=C/CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(C)=O)C(N)=O | 10.1016/0960-894X(94)85022-4 | ||||
| 44312324 | 211463 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 534 | 7 | 2 | 2 | 5.8 | CCN(Cc1ccccc1)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(CCc3ccccc32)CC1 | 10.1016/s0960-894x(98)00395-3 | ||
| CHEMBL73896 | 211463 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 534 | 7 | 2 | 2 | 5.8 | CCN(Cc1ccccc1)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(CCc3ccccc32)CC1 | 10.1016/s0960-894x(98)00395-3 | ||
| 44312219 | 109158 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 506 | 6 | 3 | 2 | 5.1 | O=C(NCc1ccccc1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(CCc3ccccc32)CC1 | 10.1016/s0960-894x(98)00395-3 | ||
| CHEMBL303868 | 109158 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 506 | 6 | 3 | 2 | 5.1 | O=C(NCc1ccccc1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(CCc3ccccc32)CC1 | 10.1016/s0960-894x(98)00395-3 | ||
| 44380176 | 168288 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 613 | 10 | 1 | 3 | 7.7 | CN(C[C@@H](CCN1CCC(NC(=O)c2ccccc2)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 | 10.1016/s0960-894x(01)00074-9 | ||
| CHEMBL412815 | 168288 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 613 | 10 | 1 | 3 | 7.7 | CN(C[C@@H](CCN1CCC(NC(=O)c2ccccc2)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 | 10.1016/s0960-894x(01)00074-9 | ||
| 44312056 | 211502 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 595 | 7 | 2 | 4 | 6.2 | CSN1CC2(CCN(C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N(C)Cc3cc(C)cc(C)c3)CC2)c2ccccc21 | 10.1016/s0960-894x(98)00395-3 | ||
| CHEMBL74237 | 211502 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 595 | 7 | 2 | 4 | 6.2 | CSN1CC2(CCN(C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N(C)Cc3cc(C)cc(C)c3)CC2)c2ccccc21 | 10.1016/s0960-894x(98)00395-3 | ||
| 10349900 | 113526 | 0 | None | - | 3 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 716 | 13 | 3 | 7 | 2.8 | CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C=O)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O | 10.1021/jm00063a015 | ||
| CHEMBL3144343 | 113526 | 0 | None | - | 3 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 716 | 13 | 3 | 7 | 2.8 | CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C=O)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O | 10.1021/jm00063a015 | ||
| 6518171 | 175075 | 55 | None | -4 | 8 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 495 | 12 | 2 | 6 | 4.9 | CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1)c1ccccn1 | nan | ||
| CHEMBL434063 | 175075 | 55 | None | -4 | 8 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 495 | 12 | 2 | 6 | 4.9 | CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1)c1ccccn1 | nan | ||
| 3561 | 25849 | 39 | None | -1 | 11 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 360 | 2 | 0 | 1 | 4.4 | Clc1cc(Cl)c(OCC#CI)cc1Cl | nan | ||
| CHEMBL1289 | 25849 | 39 | None | -1 | 11 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 360 | 2 | 0 | 1 | 4.4 | Clc1cc(Cl)c(OCC#CI)cc1Cl | nan | ||
| 2098 | 10466 | 36 | None | - | 6 | Golden hamster | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00099a024 | ||||
| 36511 | 10466 | 36 | None | - | 6 | Golden hamster | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00099a024 | ||||
| 3805 | 10466 | 36 | None | - | 6 | Golden hamster | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00099a024 | ||||
| 3835 | 10466 | 36 | None | - | 6 | Golden hamster | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00099a024 | ||||
| CHEMBL235363 | 10466 | 36 | None | - | 6 | Golden hamster | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00099a024 | ||||
| 11038500 | 70327 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 507 | 9 | 0 | 4 | 4.8 | CCOC1CCN(C2CN(CC[C@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CC4)C3)C2)CC1 | 10.1016/j.bmcl.2005.05.134 | ||
| CHEMBL180049 | 70327 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 507 | 9 | 0 | 4 | 4.8 | CCOC1CCN(C2CN(CC[C@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CC4)C3)C2)CC1 | 10.1016/j.bmcl.2005.05.134 | ||
| 10940813 | 73105 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 571 | 9 | 0 | 5 | 2.8 | CN(C)S(=O)(=O)N1CCN(C2CN(CC[C@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CC4)C3)C2)CC1 | 10.1016/j.bmcl.2005.05.134 | ||
| CHEMBL185007 | 73105 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 571 | 9 | 0 | 5 | 2.8 | CN(C)S(=O)(=O)N1CCN(C2CN(CC[C@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CC4)C3)C2)CC1 | 10.1016/j.bmcl.2005.05.134 | ||
| 9914897 | 185837 | 0 | None | - | 0 | Golden hamster | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 528 | 15 | 4 | 4 | 5.0 | CC(C)[C@H](OC(=O)N[C@](C)(Cc1ccccc1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 | 10.1016/0960-894X(95)00313-I | ||
| CHEMBL47146 | 185837 | 0 | None | - | 0 | Golden hamster | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 528 | 15 | 4 | 4 | 5.0 | CC(C)[C@H](OC(=O)N[C@](C)(Cc1ccccc1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 | 10.1016/0960-894X(95)00313-I | ||
| 9914897 | 185837 | 0 | None | - | 0 | Golden hamster | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 528 | 15 | 4 | 4 | 5.0 | CC(C)[C@H](OC(=O)N[C@](C)(Cc1ccccc1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 | 10.1021/jm950892r | ||
| CHEMBL47146 | 185837 | 0 | None | - | 0 | Golden hamster | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 528 | 15 | 4 | 4 | 5.0 | CC(C)[C@H](OC(=O)N[C@](C)(Cc1ccccc1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 | 10.1021/jm950892r | ||
| 148124 | 213878 | 86 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 807 | 8 | 5 | 14 | 3.3 | CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C | nan | ||
| CHEMBL3545252 | 213878 | 86 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 807 | 8 | 5 | 14 | 3.3 | CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C | nan | ||
| CHEMBL92 | 213878 | 86 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 807 | 8 | 5 | 14 | 3.3 | CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C | nan | ||
| 44319307 | 113324 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 640 | 10 | 1 | 7 | 5.1 | COc1cc(C(=O)N2CCC(CCN3CCC(C(N)=O)(c4cccnc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC | 10.1016/S0960-894X(97)10013-0 | ||
| CHEMBL314119 | 113324 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 640 | 10 | 1 | 7 | 5.1 | COc1cc(C(=O)N2CCC(CCN3CCC(C(N)=O)(c4cccnc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC | 10.1016/S0960-894X(97)10013-0 | ||
| 44319306 | 113874 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 640 | 10 | 1 | 7 | 5.1 | COc1cc(C(=O)N2CCC(CCN3CCC(C(N)=O)(c4ccncc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC | 10.1016/S0960-894X(97)10013-0 | ||
| CHEMBL315923 | 113874 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 640 | 10 | 1 | 7 | 5.1 | COc1cc(C(=O)N2CCC(CCN3CCC(C(N)=O)(c4ccncc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC | 10.1016/S0960-894X(97)10013-0 | ||
| 44212282 | 68061 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 579 | 8 | 1 | 4 | 5.7 | COc1ccccc1C(=O)N1CCC(CCN2CCC(C(N)=O)(c3ccccc3)CC2)(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/0960-894X(96)00148-5 | ||
| CHEMBL176682 | 68061 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 579 | 8 | 1 | 4 | 5.7 | COc1ccccc1C(=O)N1CCC(CCN2CCC(C(N)=O)(c3ccccc3)CC2)(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/0960-894X(96)00148-5 | ||
| CHEMBL276294 | 217607 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(C)(C)S(C)(=O)=O)C(N)=O | 10.1021/jm00037a009 | ||||
| 138106918 | 202265 | 42 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 778 | 7 | 2 | 11 | 4.8 | CCC1=C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2 | nan | ||
| 5311497 | 202265 | 42 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 778 | 7 | 2 | 11 | 4.8 | CCC1=C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2 | nan | ||
| CHEMBL553025 | 202265 | 42 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 778 | 7 | 2 | 11 | 4.8 | CCC1=C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2 | nan | ||
| 6918276 | 22383 | 7 | None | -56 | 8 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 559 | 18 | 4 | 9 | 1.7 | CC[C@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)OC(C)C)NC[C@@H](N)CS | nan | ||
| CHEMBL1221512 | 22383 | 7 | None | -56 | 8 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 559 | 18 | 4 | 9 | 1.7 | CC[C@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)OC(C)C)NC[C@@H](N)CS | nan | ||
| CHEMBL306072 | 217756 | 0 | None | - | 0 | Golden hamster | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(C)=O)C(N)=O | 10.1016/0960-894X(94)85022-4 | ||||
| 71456198 | 85350 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 565 | 8 | 2 | 6 | 4.7 | COc1cc(C(=O)N(C)c2cc(C(=O)N[C@@H]3CCCCNC3=O)ccc2-c2ccc(Cl)cc2)cc(OC)c1OC | 10.1016/s0960-894x(02)00382-7 | ||
| CHEMBL2112209 | 85350 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 565 | 8 | 2 | 6 | 4.7 | COc1cc(C(=O)N(C)c2cc(C(=O)N[C@@H]3CCCCNC3=O)ccc2-c2ccc(Cl)cc2)cc(OC)c1OC | 10.1016/s0960-894x(02)00382-7 | ||
| 44351724 | 26169 | 0 | None | - | 0 | Golden hamster | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 818 | 26 | 9 | 10 | -0.4 | CC(C)CC(=O)N(C[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(=O)O)C(C)C)[C@@H](CC(C)C)C(N)=O | 10.1021/jm00099a024 | ||
| CHEMBL129301 | 26169 | 0 | None | - | 0 | Golden hamster | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 818 | 26 | 9 | 10 | -0.4 | CC(C)CC(=O)N(C[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(=O)O)C(C)C)[C@@H](CC(C)C)C(N)=O | 10.1021/jm00099a024 | ||
| CHEMBL340847 | 218415 | 0 | None | - | 0 | Golden hamster | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NCCCC(=O)O)C(C)C)C(N)=O | 10.1021/jm00099a024 | ||||
| 44312218 | 210919 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 542 | 8 | 1 | 4 | 5.5 | CSN1CC2(CCN(C(=O)N[C@@H](CCc3ccccc3)C(=O)N(C)Cc3ccccc3)CC2)c2ccccc21 | 10.1016/s0960-894x(98)00395-3 | ||
| CHEMBL70461 | 210919 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 542 | 8 | 1 | 4 | 5.5 | CSN1CC2(CCN(C(=O)N[C@@H](CCc3ccccc3)C(=O)N(C)Cc3ccccc3)CC2)c2ccccc21 | 10.1016/s0960-894x(98)00395-3 | ||
| 11057 | 182928 | 23 | None | -1 | 20 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
| 3468 | 182928 | 23 | None | -1 | 20 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
| CHEMBL459265 | 182928 | 23 | None | -1 | 20 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
| CHEMBL64894 | 182928 | 23 | None | -1 | 20 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
| 44305511 | 209745 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 566 | 5 | 1 | 2 | 7.9 | CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(=O)NC2CCCCC2)ccc1-c1ccc(F)cc1 | 10.1016/s0960-894x(02)00382-7 | ||
| CHEMBL63014 | 209745 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 566 | 5 | 1 | 2 | 7.9 | CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(=O)NC2CCCCC2)ccc1-c1ccc(F)cc1 | 10.1016/s0960-894x(02)00382-7 | ||
| 44335354 | 11706 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 629 | 7 | 2 | 4 | 6.1 | CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](/C=C/C(=O)N[C@@H]1CCCCNC1=O)Cc1cc(Cl)c(Cl)s1 | 10.1016/s0960-894x(01)00631-x | ||
| CHEMBL104708 | 11706 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 629 | 7 | 2 | 4 | 6.1 | CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](/C=C/C(=O)N[C@@H]1CCCCNC1=O)Cc1cc(Cl)c(Cl)s1 | 10.1016/s0960-894x(01)00631-x | ||
| 10349900 | 113526 | 0 | None | - | 3 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 716 | 13 | 3 | 7 | 2.8 | CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C=O)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O | 10.1021/jm00063a015 | ||
| CHEMBL3144343 | 113526 | 0 | None | - | 3 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 716 | 13 | 3 | 7 | 2.8 | CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C=O)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O | 10.1021/jm00063a015 | ||
| 44319223 | 113882 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 669 | 11 | 1 | 7 | 5.7 | COc1cccc(C2(C(N)=O)CCN(CCC3(c4ccc(Cl)c(Cl)c4)CCN(C(=O)c4cc(OC)c(OC)c(OC)c4)C3)CC2)c1 | 10.1016/S0960-894X(97)10013-0 | ||
| CHEMBL315982 | 113882 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 669 | 11 | 1 | 7 | 5.7 | COc1cccc(C2(C(N)=O)CCN(CCC3(c4ccc(Cl)c(Cl)c4)CCN(C(=O)c4cc(OC)c(OC)c(OC)c4)C3)CC2)c1 | 10.1016/S0960-894X(97)10013-0 | ||
| 22901331 | 18753 | 0 | None | - | 1 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 424 | 4 | 0 | 4 | 5.2 | CCn1c(/C=C/C=C2\N(C)c3ccccc3C2(C)C)[n+](CC)c2nc3ccccc3nc21 | 10.1021/jm00109a034 | ||
| 54435601 | 18753 | 0 | None | - | 1 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 424 | 4 | 0 | 4 | 5.2 | CCn1c(/C=C/C=C2\N(C)c3ccccc3C2(C)C)[n+](CC)c2nc3ccccc3nc21 | 10.1021/jm00109a034 | ||
| 59922977 | 18753 | 0 | None | - | 1 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 424 | 4 | 0 | 4 | 5.2 | CCn1c(/C=C/C=C2\N(C)c3ccccc3C2(C)C)[n+](CC)c2nc3ccccc3nc21 | 10.1021/jm00109a034 | ||
| CHEMBL1183068 | 18753 | 0 | None | - | 1 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 424 | 4 | 0 | 4 | 5.2 | CCn1c(/C=C/C=C2\N(C)c3ccccc3C2(C)C)[n+](CC)c2nc3ccccc3nc21 | 10.1021/jm00109a034 | ||
| CHEMBL278294 | 18753 | 0 | None | - | 1 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 424 | 4 | 0 | 4 | 5.2 | CCn1c(/C=C/C=C2\N(C)c3ccccc3C2(C)C)[n+](CC)c2nc3ccccc3nc21 | 10.1021/jm00109a034 | ||
| CHEMBL406812 | 219400 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C1Cc2ccccc2C1)C(N)=O | 10.1021/jm00037a009 | ||||
| 3823 | 56995 | 42 | None | -36 | 11 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
| 76973198 | 56995 | 42 | None | -36 | 11 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
| CHEMBL157101 | 56995 | 42 | None | -36 | 11 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
| 44444681 | 101148 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 501 | 5 | 0 | 3 | 6.7 | C[C@@H](O[C@@H]1CN(C2=CC(=O)CC2)C[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.06.085 | ||
| CHEMBL250798 | 101148 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 501 | 5 | 0 | 3 | 6.7 | C[C@@H](O[C@@H]1CN(C2=CC(=O)CC2)C[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.06.085 | ||
| 15730 | 77893 | 80 | None | -2 | 10 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 206 | 7 | 1 | 1 | 4.3 | CCCCCCCCc1ccc(O)cc1 | nan | ||
| CHEMBL195437 | 77893 | 80 | None | -2 | 10 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 206 | 7 | 1 | 1 | 4.3 | CCCCCCCCc1ccc(O)cc1 | nan | ||
| 10258592 | 105983 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 639 | 7 | 0 | 4 | 6.8 | CS(=O)(=O)N1CC2(CCN(CCCC3(c4ccc(Cl)c(Cl)c4)CCCN(C(=O)c4ccccc4)C3)CC2)c2ccccc21 | 10.1016/s0960-894x(98)00215-7 | ||
| CHEMBL281481 | 105983 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 639 | 7 | 0 | 4 | 6.8 | CS(=O)(=O)N1CC2(CCN(CCCC3(c4ccc(Cl)c(Cl)c4)CCCN(C(=O)c4ccccc4)C3)CC2)c2ccccc21 | 10.1016/s0960-894x(98)00215-7 | ||
| 2090 | 9543 | 25 | None | - | 4 | Golden hamster | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00099a024 | ||||
| 5311312 | 9543 | 25 | None | - | 4 | Golden hamster | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00099a024 | ||||
| CHEMBL437797 | 9543 | 25 | None | - | 4 | Golden hamster | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00099a024 | ||||
| 15391369 | 109605 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 518 | 6 | 2 | 2 | 5.5 | CN(Cc1ccccc1)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(C=Cc3ccccc32)CC1 | 10.1016/s0960-894x(98)00395-3 | ||
| CHEMBL305509 | 109605 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 518 | 6 | 2 | 2 | 5.5 | CN(Cc1ccccc1)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(C=Cc3ccccc32)CC1 | 10.1016/s0960-894x(98)00395-3 | ||
| 49863732 | 22103 | 0 | None | -24 | 4 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 1266 | 18 | 10 | 12 | 6.1 | CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1021/jm100157m | ||
| CHEMBL1214025 | 22103 | 0 | None | -24 | 4 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 1266 | 18 | 10 | 12 | 6.1 | CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1021/jm100157m | ||
| 9874168 | 212483 | 4 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 639 | 10 | 1 | 6 | 5.7 | COc1cc(C(=O)N2CCC(CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC | 10.1016/0960-894X(96)00148-5 | ||
| CHEMBL82386 | 212483 | 4 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 639 | 10 | 1 | 6 | 5.7 | COc1cc(C(=O)N2CCC(CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC | 10.1016/0960-894X(96)00148-5 | ||
| CHEMBL2372525 | 217049 | 0 | None | - | 0 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(N)=O | 10.1021/jm00037a009 | ||||
| 71452678 | 85352 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 591 | 5 | 2 | 3 | 6.4 | Cc1ccc(-c2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc2N(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 | 10.1016/s0960-894x(02)00382-7 | ||
| CHEMBL2112211 | 85352 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 591 | 5 | 2 | 3 | 6.4 | Cc1ccc(-c2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc2N(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 | 10.1016/s0960-894x(02)00382-7 | ||
| 10350454 | 113508 | 0 | None | - | 3 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 815 | 18 | 4 | 8 | 4.3 | CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)CCCCCCN)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O | 10.1021/jm00063a015 | ||
| CHEMBL3144209 | 113508 | 0 | None | - | 3 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 815 | 18 | 4 | 8 | 4.3 | CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)CCCCCCN)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O | 10.1021/jm00063a015 | ||
| 44384987 | 68128 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 609 | 9 | 1 | 5 | 5.7 | COc1cc(OC)cc(C(=O)N2CCC(CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)c1 | 10.1016/0960-894X(96)00148-5 | ||
| CHEMBL176769 | 68128 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 609 | 9 | 1 | 5 | 5.7 | COc1cc(OC)cc(C(=O)N2CCC(CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)c1 | 10.1016/0960-894X(96)00148-5 | ||
| 44335466 | 11826 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 720 | 8 | 2 | 5 | 6.0 | CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(CCC(=O)N[C@@H]1CCCCNC1=O)Cc1cc(Br)c(Br)s1 | 10.1016/s0960-894x(01)00631-x | ||
| CHEMBL105295 | 11826 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 720 | 8 | 2 | 5 | 6.0 | CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(CCC(=O)N[C@@H]1CCCCNC1=O)Cc1cc(Br)c(Br)s1 | 10.1016/s0960-894x(01)00631-x | ||
| 44319057 | 212623 | 0 | None | - | 0 | Mouse | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 605 | 10 | 1 | 6 | 5.1 | COc1cc(C(=O)N2CCC(CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3cccc(Cl)c3)C2)cc(OC)c1OC | 10.1016/S0960-894X(97)10013-0 | ||
| CHEMBL83585 | 212623 | 0 | None | - | 0 | Mouse | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 605 | 10 | 1 | 6 | 5.1 | COc1cc(C(=O)N2CCC(CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3cccc(Cl)c3)C2)cc(OC)c1OC | 10.1016/S0960-894X(97)10013-0 | ||
| CHEMBL415600 | 219973 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(N)=O | 10.1021/jm00037a009 | ||||
| 2335 | 18620 | 22 | None | -3 | 12 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | ||
| 8478 | 18620 | 22 | None | -3 | 12 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | ||
| CHEMBL1182210 | 18620 | 22 | None | -3 | 12 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | ||
| CHEMBL221753 | 18620 | 22 | None | -3 | 12 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | ||
| 10395276 | 25691 | 0 | None | - | 0 | Golden hamster | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 748 | 24 | 9 | 10 | -1.4 | CC(C)C[C@@H](CN(C)[C@@H](CC(C)C)C(N)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(=O)O)C(C)C | 10.1021/jm00099a024 | ||
| CHEMBL128521 | 25691 | 0 | None | - | 0 | Golden hamster | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 748 | 24 | 9 | 10 | -1.4 | CC(C)C[C@@H](CN(C)[C@@H](CC(C)C)C(N)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(=O)O)C(C)C | 10.1021/jm00099a024 | ||
| 176 | 7186 | 66 | None | -4 | 31 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| 2157 | 7186 | 66 | None | -4 | 31 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| 2566 | 7186 | 66 | None | -4 | 31 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| CHEMBL633 | 7186 | 66 | None | -4 | 31 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| DB01118 | 7186 | 66 | None | -4 | 31 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| 3191 | 109635 | 97 | None | -12 | 25 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | ||
| CHEMBL305660 | 109635 | 97 | None | -12 | 25 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | ||
| DB11742 | 109635 | 97 | None | -12 | 25 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | ||
| CHEMBL36402 | 218700 | 0 | None | - | 0 | Golden hamster | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1016/0960-894X(95)00254-Q | ||||
| 73265451 | 133222 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 666 | 4 | 0 | 3 | 6.8 | CC(=O)N1CCC(C(=O)N2CC(c3ccc(Cl)c(Cl)c3)[C@H](N(C)C(=O)N(C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC1 | nan | ||
| CHEMBL3651889 | 133222 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 666 | 4 | 0 | 3 | 6.8 | CC(=O)N1CCC(C(=O)N2CC(c3ccc(Cl)c(Cl)c3)[C@H](N(C)C(=O)N(C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC1 | nan | ||
| 71699789 | 131560 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 529 | 4 | 0 | 3 | 5.0 | CC(=O)N1CCC(C(=O)N2CC[C@@H](N(C)C(=O)c3ccc(C)cc3)C(c3ccc(Cl)c(Cl)c3)C2)CC1 | nan | ||
| CHEMBL3642159 | 131560 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 529 | 4 | 0 | 3 | 5.0 | CC(=O)N1CCC(C(=O)N2CC[C@@H](N(C)C(=O)c3ccc(C)cc3)C(c3ccc(Cl)c(Cl)c3)C2)CC1 | nan | ||
| 9853506 | 19861 | 0 | None | - | 0 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 709 | 10 | 0 | 7 | 6.1 | COc1cc(C(=O)N2CC[C@](CCN3CCC(C(=O)N4CCOCC4)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC | 10.1016/S0960-894X(97)10013-0 | ||
| CHEMBL1190281 | 19861 | 0 | None | - | 0 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 709 | 10 | 0 | 7 | 6.1 | COc1cc(C(=O)N2CC[C@](CCN3CCC(C(=O)N4CCOCC4)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC | 10.1016/S0960-894X(97)10013-0 | ||
| CHEMBL540553 | 19861 | 0 | None | - | 0 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 709 | 10 | 0 | 7 | 6.1 | COc1cc(C(=O)N2CC[C@](CCN3CCC(C(=O)N4CCOCC4)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC | 10.1016/S0960-894X(97)10013-0 | ||
| 44319086 | 20484 | 0 | None | - | 0 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 722 | 10 | 0 | 7 | 6.0 | COc1cc(C(=O)N2CC[C@](CCN3CCC(C(=O)N4CCN(C)CC4)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC | 10.1016/S0960-894X(97)10013-0 | ||
| CHEMBL1194977 | 20484 | 0 | None | - | 0 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 722 | 10 | 0 | 7 | 6.0 | COc1cc(C(=O)N2CC[C@](CCN3CCC(C(=O)N4CCN(C)CC4)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC | 10.1016/S0960-894X(97)10013-0 | ||
| CHEMBL553617 | 20484 | 0 | None | - | 0 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 722 | 10 | 0 | 7 | 6.0 | COc1cc(C(=O)N2CC[C@](CCN3CCC(C(=O)N4CCN(C)CC4)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC | 10.1016/S0960-894X(97)10013-0 | ||
| 9852376 | 105878 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 639 | 8 | 0 | 4 | 6.6 | CS(=O)(=O)N1CC2(CCN(CCCC3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(Cc4ccccc4)C3)CC2)c2ccccc21 | 10.1016/s0960-894x(98)00215-7 | ||
| CHEMBL280789 | 105878 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 639 | 8 | 0 | 4 | 6.6 | CS(=O)(=O)N1CC2(CCN(CCCC3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(Cc4ccccc4)C3)CC2)c2ccccc21 | 10.1016/s0960-894x(98)00215-7 | ||
| 71699792 | 131563 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 636 | 5 | 0 | 3 | 7.5 | CC(=O)C1CCC(C(=O)N2CC(c3ccc(Cl)c(Cl)c3)[C@H](N(C)C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC1 | nan | ||
| CHEMBL3642162 | 131563 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 636 | 5 | 0 | 3 | 7.5 | CC(=O)C1CCC(C(=O)N2CC(c3ccc(Cl)c(Cl)c3)[C@H](N(C)C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC1 | nan | ||
| 44404006 | 139534 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 549 | 7 | 1 | 3 | 5.7 | NC(=O)C1(c2ccccc2)CCN(CC[C@@]2(c3ccc(Cl)c(Cl)c3)CCN(C(=O)c3ccccc3)C2)CC1 | 10.1021/jm058225d | ||
| CHEMBL370013 | 139534 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 549 | 7 | 1 | 3 | 5.7 | NC(=O)C1(c2ccccc2)CCN(CC[C@@]2(c3ccc(Cl)c(Cl)c3)CCN(C(=O)c3ccccc3)C2)CC1 | 10.1021/jm058225d | ||
| 71699788 | 131559 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 545 | 5 | 0 | 4 | 4.7 | COc1ccc(C(=O)N(C)[C@@H]2CCN(C(=O)C3CCN(C(C)=O)CC3)CC2c2ccc(Cl)c(Cl)c2)cc1 | nan | ||
| CHEMBL3642158 | 131559 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 545 | 5 | 0 | 4 | 4.7 | COc1ccc(C(=O)N(C)[C@@H]2CCN(C(=O)C3CCN(C(C)=O)CC3)CC2c2ccc(Cl)c(Cl)c2)cc1 | nan | ||
| 73265455 | 133227 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 660 | 5 | 1 | 4 | 5.4 | CN(C(=O)N(C)[C@@H]1CN(C(=O)C2CCN(C(=O)C(C)(C)O)CC2)C[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 | nan | ||
| CHEMBL3651894 | 133227 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 660 | 5 | 1 | 4 | 5.4 | CN(C(=O)N(C)[C@@H]1CN(C(=O)C2CCN(C(=O)C(C)(C)O)CC2)C[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 | nan | ||
| 3570748 | 64293 | 28 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 414 | 7 | 1 | 3 | 4.1 | COC1(C[S+]([O-])c2ccccc2)CCN(CCc2c[nH]c3ccc(F)cc23)CC1 | 10.1016/s0960-894x(01)00074-9 | ||
| CHEMBL166161 | 64293 | 28 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 414 | 7 | 1 | 3 | 4.1 | COC1(C[S+]([O-])c2ccccc2)CCN(CCc2c[nH]c3ccc(F)cc23)CC1 | 10.1016/s0960-894x(01)00074-9 | ||
| CHEMBL2390989 | 217190 | 16 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(N)=O | 10.1016/j.bmc.2013.03.016 | ||||
| 44276792 | 105907 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 604 | 8 | 1 | 4 | 6.5 | O=C1CCC(CCCN2CCC3(CC2)CN(c2ccccc2)NC3=O)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 | 10.1016/s0960-894x(98)00215-7 | ||
| CHEMBL281019 | 105907 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 604 | 8 | 1 | 4 | 6.5 | O=C1CCC(CCCN2CCC3(CC2)CN(c2ccccc2)NC3=O)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 | 10.1016/s0960-894x(98)00215-7 | ||
| 44392445 | 73129 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 495 | 8 | 0 | 3 | 5.2 | O=C1CC[C@](CCN2CC(N3CCC(F)CC3)C2)(c2ccc(Cl)c(Cl)c2)CN1CCC1CC1 | 10.1016/j.bmcl.2005.05.134 | ||
| CHEMBL185133 | 73129 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 495 | 8 | 0 | 3 | 5.2 | O=C1CC[C@](CCN2CC(N3CCC(F)CC3)C2)(c2ccc(Cl)c(Cl)c2)CN1CCC1CC1 | 10.1016/j.bmcl.2005.05.134 | ||
| 2098 | 10466 | 36 | None | - | 6 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00037a009 | ||||
| 36511 | 10466 | 36 | None | - | 6 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00037a009 | ||||
| 3805 | 10466 | 36 | None | - | 6 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00037a009 | ||||
| 3835 | 10466 | 36 | None | - | 6 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00037a009 | ||||
| CHEMBL235363 | 10466 | 36 | None | - | 6 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00037a009 | ||||
| 44335410 | 11772 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 574 | 7 | 1 | 2 | 7.5 | CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](/C=C/C(=O)NC1CCCCCC1)Cc1ccc(Cl)cc1 | 10.1016/s0960-894x(01)00631-x | ||
| CHEMBL105009 | 11772 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 574 | 7 | 1 | 2 | 7.5 | CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](/C=C/C(=O)NC1CCCCCC1)Cc1ccc(Cl)cc1 | 10.1016/s0960-894x(01)00631-x | ||
| 44276738 | 103965 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 560 | 6 | 0 | 2 | 7.9 | O=C(c1ccccc1)N1CCCC(CCCN2CCC3(CCc4ccccc43)CC2)(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/s0960-894x(98)00215-7 | ||
| CHEMBL26831 | 103965 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 560 | 6 | 0 | 2 | 7.9 | O=C(c1ccccc1)N1CCCC(CCCN2CCC3(CCc4ccccc43)CC2)(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/s0960-894x(98)00215-7 | ||
| 9874168 | 212483 | 4 | None | - | 0 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 639 | 10 | 1 | 6 | 5.7 | COc1cc(C(=O)N2CCC(CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC | 10.1016/S0960-894X(97)10013-0 | ||
| CHEMBL82386 | 212483 | 4 | None | - | 0 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 639 | 10 | 1 | 6 | 5.7 | COc1cc(C(=O)N2CCC(CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC | 10.1016/S0960-894X(97)10013-0 | ||
| 44312169 | 211207 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 492 | 5 | 3 | 2 | 5.4 | O=C(Nc1ccccc1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(CCc3ccccc32)CC1 | 10.1016/s0960-894x(98)00395-3 | ||
| CHEMBL72140 | 211207 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 492 | 5 | 3 | 2 | 5.4 | O=C(Nc1ccccc1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(CCc3ccccc32)CC1 | 10.1016/s0960-894x(98)00395-3 | ||
| 76287260 | 132525 | 25 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 440 | 6 | 0 | 7 | 4.1 | CCn1cnc2c(-c3ccc(F)c(-c4ccc(S(=O)(=O)CC)cc4OC)c3)cnnc21 | 10.1021/acs.jmedchem.9b00322 | ||
| CHEMBL3647536 | 132525 | 25 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 440 | 6 | 0 | 7 | 4.1 | CCn1cnc2c(-c3ccc(F)c(-c4ccc(S(=O)(=O)CC)cc4OC)c3)cnnc21 | 10.1021/acs.jmedchem.9b00322 | ||
| 44312145 | 211495 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 520 | 7 | 3 | 2 | 5.1 | O=C(NCCc1ccccc1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(CCc3ccccc32)CC1 | 10.1016/s0960-894x(98)00395-3 | ||
| CHEMBL74176 | 211495 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 520 | 7 | 3 | 2 | 5.1 | O=C(NCCc1ccccc1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(CCc3ccccc32)CC1 | 10.1016/s0960-894x(98)00395-3 | ||
| 9843958 | 207572 | 1 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 400 | 6 | 2 | 3 | 3.5 | [O-][S+](CC1(O)CCN(CCc2c[nH]c3ccc(F)cc23)CC1)c1ccccc1 | 10.1016/s0960-894x(01)00074-9 | ||
| CHEMBL60064 | 207572 | 1 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 400 | 6 | 2 | 3 | 3.5 | [O-][S+](CC1(O)CCN(CCc2c[nH]c3ccc(F)cc23)CC1)c1ccccc1 | 10.1016/s0960-894x(01)00074-9 | ||
| 1212 | 8443 | 50 | None | -389 | 65 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 204 | 8443 | 50 | None | -389 | 65 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 3372 | 8443 | 50 | None | -389 | 65 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| CHEMBL726 | 8443 | 50 | None | -389 | 65 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| DB00623 | 8443 | 50 | None | -389 | 65 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 44319250 | 113784 | 0 | None | - | 0 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 589 | 10 | 1 | 6 | 4.5 | COc1cc(C(=O)N2CCC(CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(F)cc3)C2)cc(OC)c1OC | 10.1016/S0960-894X(97)10013-0 | ||
| CHEMBL315322 | 113784 | 0 | None | - | 0 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 589 | 10 | 1 | 6 | 4.5 | COc1cc(C(=O)N2CCC(CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(F)cc3)C2)cc(OC)c1OC | 10.1016/S0960-894X(97)10013-0 | ||
| 10099939 | 11759 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 589 | 7 | 2 | 3 | 5.4 | CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](/C=C/C(=O)N[C@@H]1CCCCNC1=O)Cc1ccc(Cl)cc1 | 10.1016/s0960-894x(01)00631-x | ||
| CHEMBL104954 | 11759 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 589 | 7 | 2 | 3 | 5.4 | CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](/C=C/C(=O)N[C@@H]1CCCCNC1=O)Cc1ccc(Cl)cc1 | 10.1016/s0960-894x(01)00631-x | ||
| 9830304 | 114124 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 608 | 7 | 2 | 4 | 5.2 | CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](/C=C/C(=O)N[C@@H]1CCCCNC1=O)Cc1cn(C)c2ccccc12 | 10.1016/s0960-894x(01)00631-x | ||
| CHEMBL317632 | 114124 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 608 | 7 | 2 | 4 | 5.2 | CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](/C=C/C(=O)N[C@@H]1CCCCNC1=O)Cc1cn(C)c2ccccc12 | 10.1016/s0960-894x(01)00631-x | ||
| 10099939 | 11759 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 589 | 7 | 2 | 3 | 5.4 | CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](/C=C/C(=O)N[C@@H]1CCCCNC1=O)Cc1ccc(Cl)cc1 | 10.1016/s0960-894x(00)00260-2 | ||
| CHEMBL104954 | 11759 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 589 | 7 | 2 | 3 | 5.4 | CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](/C=C/C(=O)N[C@@H]1CCCCNC1=O)Cc1ccc(Cl)cc1 | 10.1016/s0960-894x(00)00260-2 | ||
| 44312257 | 109687 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 567 | 7 | 2 | 4 | 5.6 | CSN1CC2(CCN(C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N(C)Cc3ccccc3)CC2)c2ccccc21 | 10.1016/s0960-894x(98)00395-3 | ||
| CHEMBL306065 | 109687 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 567 | 7 | 2 | 4 | 5.6 | CSN1CC2(CCN(C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N(C)Cc3ccccc3)CC2)c2ccccc21 | 10.1016/s0960-894x(98)00395-3 | ||
| 25129133 | 195666 | 0 | None | -10 | 4 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 1208 | 27 | 10 | 11 | 4.9 | CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1021/jm100157m | ||
| CHEMBL507340 | 195666 | 0 | None | -10 | 4 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 1208 | 27 | 10 | 11 | 4.9 | CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1021/jm100157m | ||
| 23653789 | 10359 | 24 | None | 1 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 555 | 5 | 0 | 3 | 7.7 | O=C1CCC(=C1)N1C[C@@H]2[C@@H](C1)[C@@H]([C@H](CC2)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)c1ccc(cc1)F | 10.1021/jm400751p | ||
| 9280 | 10359 | 24 | None | 1 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 555 | 5 | 0 | 3 | 7.7 | O=C1CCC(=C1)N1C[C@@H]2[C@@H](C1)[C@@H]([C@H](CC2)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)c1ccc(cc1)F | 10.1021/jm400751p | ||
| CHEMBL447955 | 10359 | 24 | None | 1 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 555 | 5 | 0 | 3 | 7.7 | O=C1CCC(=C1)N1C[C@@H]2[C@@H](C1)[C@@H]([C@H](CC2)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)c1ccc(cc1)F | 10.1021/jm400751p | ||
| DB12973 | 10359 | 24 | None | 1 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 555 | 5 | 0 | 3 | 7.7 | O=C1CCC(=C1)N1C[C@@H]2[C@@H](C1)[C@@H]([C@H](CC2)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)c1ccc(cc1)F | 10.1021/jm400751p | ||
| 10350528 | 113510 | 0 | None | - | 3 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 831 | 18 | 4 | 9 | 4.2 | CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)OCCCCCCN)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O | 10.1021/jm00063a015 | ||
| CHEMBL3144210 | 113510 | 0 | None | - | 3 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 831 | 18 | 4 | 9 | 4.2 | CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)OCCCCCCN)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O | 10.1021/jm00063a015 | ||
| 2098 | 10466 | 36 | None | -457 | 6 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | ||||
| 36511 | 10466 | 36 | None | -457 | 6 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | ||||
| 3805 | 10466 | 36 | None | -457 | 6 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | ||||
| 3835 | 10466 | 36 | None | -457 | 6 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | ||||
| CHEMBL235363 | 10466 | 36 | None | -457 | 6 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | ||||
| 44379971 | 65527 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 3.5 | [O-][S+](C[C@]1(O)CCN2CCc3c([nH]c4ccc(F)cc34)[C@H]2C1)c1ccccc1 | 10.1016/s0960-894x(01)00074-9 | ||
| CHEMBL168632 | 65527 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 3.5 | [O-][S+](C[C@]1(O)CCN2CCc3c([nH]c4ccc(F)cc34)[C@H]2C1)c1ccccc1 | 10.1016/s0960-894x(01)00074-9 | ||
| 44312028 | 109629 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 558 | 9 | 1 | 5 | 5.1 | CSN1CC2(CCN(C(=O)N[C@@H](COCc3ccccc3)C(=O)N(C)Cc3ccccc3)CC2)c2ccccc21 | 10.1016/s0960-894x(98)00395-3 | ||
| CHEMBL305609 | 109629 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 558 | 9 | 1 | 5 | 5.1 | CSN1CC2(CCN(C(=O)N[C@@H](COCc3ccccc3)C(=O)N(C)Cc3ccccc3)CC2)c2ccccc21 | 10.1016/s0960-894x(98)00395-3 | ||
| 44335376 | 11317 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 717 | 7 | 2 | 4 | 6.3 | CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](/C=C/C(=O)N[C@@H]1CCCCNC1=O)Cc1cc(Br)c(Br)s1 | 10.1016/s0960-894x(01)00631-x | ||
| CHEMBL102376 | 11317 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 717 | 7 | 2 | 4 | 6.3 | CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](/C=C/C(=O)N[C@@H]1CCCCNC1=O)Cc1cc(Br)c(Br)s1 | 10.1016/s0960-894x(01)00631-x | ||
| 155565189 | 182344 | 0 | None | 2 | 4 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 634 | 7 | 0 | 9 | 6.2 | CC(C)CCO[C@H]1[C@H]2CCN(CCc3ccc4ccccc4c3)CCCCCCOCc3cn(nn3)C[C@@H](O2)[C@@H]2OC(C)(C)O[C@H]12 | 10.1016/j.ejmech.2019.04.064 | ||
| CHEMBL4579120 | 182344 | 0 | None | 2 | 4 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 634 | 7 | 0 | 9 | 6.2 | CC(C)CCO[C@H]1[C@H]2CCN(CCc3ccc4ccccc4c3)CCCCCCOCc3cn(nn3)C[C@@H](O2)[C@@H]2OC(C)(C)O[C@H]12 | 10.1016/j.ejmech.2019.04.064 | ||
| 392622 | 63086 | 95 | None | 2 | 4 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 720 | 17 | 4 | 9 | 5.9 | CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1 | nan | ||
| CHEMBL163 | 63086 | 95 | None | 2 | 4 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 720 | 17 | 4 | 9 | 5.9 | CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1 | nan | ||
| 28417 | 46813 | 49 | None | -1 | 12 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 337 | 0 | 1 | 3 | 4.2 | C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C | nan | ||
| CHEMBL1479 | 46813 | 49 | None | -1 | 12 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 337 | 0 | 1 | 3 | 4.2 | C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C | nan | ||
| DB01406 | 46813 | 49 | None | -1 | 12 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 337 | 0 | 1 | 3 | 4.2 | C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C | nan | ||
| 2600 | 10551 | 74 | None | -6 | 13 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | ||
| 2608 | 10551 | 74 | None | -6 | 13 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | ||
| 5405 | 10551 | 74 | None | -6 | 13 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | ||
| CHEMBL17157 | 10551 | 74 | None | -6 | 13 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | ||
| DB00342 | 10551 | 74 | None | -6 | 13 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | ||
| 9984184 | 211428 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 520 | 6 | 2 | 2 | 5.4 | CN(Cc1ccccc1)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(CCc3ccccc32)CC1 | 10.1016/s0960-894x(98)00395-3 | ||
| CHEMBL73618 | 211428 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 520 | 6 | 2 | 2 | 5.4 | CN(Cc1ccccc1)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(CCc3ccccc32)CC1 | 10.1016/s0960-894x(98)00395-3 | ||
| CHEMBL2112246 | 216012 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)CN)C(=O)N[C@H]1CSSC[C@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm000316h | ||||
| 2726 | 7706 | 68 | None | -125 | 72 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| 621 | 7706 | 68 | None | -125 | 72 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| 83 | 7706 | 68 | None | -125 | 72 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| CHEMBL71 | 7706 | 68 | None | -125 | 72 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| DB00477 | 7706 | 68 | None | -125 | 72 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| 10055928 | 123403 | 0 | None | - | 0 | Golden hamster | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 762 | 25 | 9 | 10 | -1.0 | CCN(C[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(=O)O)C(C)C)[C@@H](CC(C)C)C(N)=O | 10.1021/jm00099a024 | ||
| CHEMBL336849 | 123403 | 0 | None | - | 0 | Golden hamster | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 762 | 25 | 9 | 10 | -1.0 | CCN(C[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(=O)O)C(C)C)[C@@H](CC(C)C)C(N)=O | 10.1021/jm00099a024 | ||
| 44319249 | 212851 | 0 | None | - | 0 | Mouse | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 631 | 12 | 1 | 8 | 4.4 | COc1ccc(C2(CCN3CCC(C(N)=O)(c4ccccc4)CC3)CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C2)cc1OC | 10.1016/S0960-894X(97)10013-0 | ||
| CHEMBL85499 | 212851 | 0 | None | - | 0 | Mouse | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 631 | 12 | 1 | 8 | 4.4 | COc1ccc(C2(CCN3CCC(C(N)=O)(c4ccccc4)CC3)CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C2)cc1OC | 10.1016/S0960-894X(97)10013-0 | ||
| 9869033 | 107200 | 5 | None | - | 0 | Bovine | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 463 | 6 | 1 | 3 | 5.9 | Cc1cc(C)cc(C(=O)N2CC[C@H](NCc3ccnc4ccccc34)C[C@H]2Cc2ccccc2)c1 | 10.1016/0960-894X(96)00287-9 | ||
| CHEMBL290364 | 107200 | 5 | None | - | 0 | Bovine | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 463 | 6 | 1 | 3 | 5.9 | Cc1cc(C)cc(C(=O)N2CC[C@H](NCc3ccnc4ccccc34)C[C@H]2Cc2ccccc2)c1 | 10.1016/0960-894X(96)00287-9 | ||
| 71450941 | 86294 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 595 | 5 | 2 | 3 | 6.2 | CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(=O)N[C@@H]2CCCCNC2=O)ccc1-c1ccc(F)cc1 | 10.1016/s0960-894x(02)00382-7 | ||
| CHEMBL2113739 | 86294 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 595 | 5 | 2 | 3 | 6.2 | CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(=O)N[C@@H]2CCCCNC2=O)ccc1-c1ccc(F)cc1 | 10.1016/s0960-894x(02)00382-7 | ||
| 16220269 | 196439 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 361 | 3 | 1 | 2 | 4.4 | CC[C@@H]1O[C@](/C=C/C2CC2)(C(F)(F)F)c2c(ccc(F)c2F)NC1=O | 10.1073/pnas.0605125104 | ||
| CHEMBL515170 | 196439 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 361 | 3 | 1 | 2 | 4.4 | CC[C@@H]1O[C@](/C=C/C2CC2)(C(F)(F)F)c2c(ccc(F)c2F)NC1=O | 10.1073/pnas.0605125104 | ||
| 53232 | 195404 | 95 | None | 1 | 2 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 404 | 6 | 1 | 5 | 4.2 | CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 | nan | ||
| CHEMBL503 | 195404 | 95 | None | 1 | 2 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 404 | 6 | 1 | 5 | 4.2 | CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 | nan | ||
| CHEMBL2115376 | 216046 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)[C@H]1CCc2ccccc21)C(N)=O | 10.1021/jm00037a009 | ||||
| CHEMBL2369767 | 216463 | 0 | None | - | 0 | Golden hamster | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | None | None | None | C/C=C/CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)C(N)=O | 10.1016/0960-894X(94)85022-4 | ||||
| 64143 | 205643 | 62 | None | -1 | 8 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 567 | 9 | 4 | 6 | 4.7 | Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C | nan | ||
| CHEMBL584 | 205643 | 62 | None | -1 | 8 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 567 | 9 | 4 | 6 | 4.7 | Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C | nan | ||
| 2247 | 7293 | 81 | None | -44 | 42 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| 249 | 7293 | 81 | None | -44 | 42 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| 2603 | 7293 | 81 | None | -44 | 42 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| CHEMBL296419 | 7293 | 81 | None | -44 | 42 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| DB00637 | 7293 | 81 | None | -44 | 42 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| 9831641 | 86472 | 5 | None | - | 0 | Guinea pig | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 672 | 8 | 0 | 7 | 6.0 | COc1cc(C(=O)N2CCO[C@](CCN3CCC4(CC3)c3ccccc3C[S@+]4[O-])(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC | 10.1016/s0960-894x(00)00324-3 | ||
| CHEMBL2115415 | 86472 | 5 | None | - | 0 | Guinea pig | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 672 | 8 | 0 | 7 | 6.0 | COc1cc(C(=O)N2CCO[C@](CCN3CCC4(CC3)c3ccccc3C[S@+]4[O-])(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC | 10.1016/s0960-894x(00)00324-3 | ||
| 44319224 | 113853 | 0 | None | - | 0 | Mouse | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 722 | 10 | 0 | 7 | 6.0 | COc1cc(C(=O)N2CCC(CCN3CCC(C(=O)N4CCN(C)CC4)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC | 10.1016/S0960-894X(97)10013-0 | ||
| CHEMBL315814 | 113853 | 0 | None | - | 0 | Mouse | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 722 | 10 | 0 | 7 | 6.0 | COc1cc(C(=O)N2CCC(CCN3CCC(C(=O)N4CCN(C)CC4)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC | 10.1016/S0960-894X(97)10013-0 | ||
| 44392392 | 136951 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 555 | 7 | 0 | 4 | 5.4 | O=C1CCN(C2CN(CC[C@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CCC(F)(F)CC4)C3)C2)CC1 | 10.1016/j.bmcl.2005.05.134 | ||
| CHEMBL367815 | 136951 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 555 | 7 | 0 | 4 | 5.4 | O=C1CCN(C2CN(CC[C@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CCC(F)(F)CC4)C3)C2)CC1 | 10.1016/j.bmcl.2005.05.134 | ||
| 127032997 | 145310 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 748 | 24 | 10 | 10 | -2.1 | CCCCC(NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(N)=O | 10.1016/j.bmc.2016.03.006 | ||
| CHEMBL3775108 | 145310 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 748 | 24 | 10 | 10 | -2.1 | CCCCC(NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(N)=O | 10.1016/j.bmc.2016.03.006 | ||
| CHEMBL2390989 | 217190 | 16 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(N)=O | 10.1016/j.bmc.2016.11.014 | ||||
| 137633652 | 163375 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 749 | 24 | 10 | 10 | -1.5 | CCCCC(NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)O | 10.1021/acs.jmedchem.6b01422 | ||
| CHEMBL4068783 | 163375 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 749 | 24 | 10 | 10 | -1.5 | CCCCC(NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)O | 10.1021/acs.jmedchem.6b01422 | ||
| 2090 | 9543 | 25 | None | - | 4 | Golden hamster | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm950892r | ||||
| 5311312 | 9543 | 25 | None | - | 4 | Golden hamster | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm950892r | ||||
| CHEMBL437797 | 9543 | 25 | None | - | 4 | Golden hamster | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm950892r | ||||
| 44319308 | 113155 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 709 | 10 | 0 | 7 | 6.1 | COc1cc(C(=O)N2CCC(CCN3CCC(C(=O)N4CCOCC4)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC | 10.1016/S0960-894X(97)10013-0 | ||
| CHEMBL313931 | 113155 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 709 | 10 | 0 | 7 | 6.1 | COc1cc(C(=O)N2CCC(CCN3CCC(C(=O)N4CCOCC4)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC | 10.1016/S0960-894X(97)10013-0 | ||
| 15485361 | 104005 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 576 | 9 | 0 | 3 | 7.5 | CC(=O)C1(c2ccccc2)CCN(CCCC2(c3ccc(Cl)c(Cl)c3)CCC(=O)N(Cc3ccccc3)C2)CC1 | 10.1016/s0960-894x(98)00215-7 | ||
| CHEMBL26860 | 104005 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 576 | 9 | 0 | 3 | 7.5 | CC(=O)C1(c2ccccc2)CCN(CCCC2(c3ccc(Cl)c(Cl)c3)CCC(=O)N(Cc3ccccc3)C2)CC1 | 10.1016/s0960-894x(98)00215-7 | ||
| 9915372 | 133837 | 1 | None | -1 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 543 | 8 | 1 | 5 | 2.2 | NS(=O)(=O)N1CCN(C2CN(CC[C@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CC4)C3)C2)CC1 | 10.1016/j.bmcl.2005.05.134 | ||
| CHEMBL365613 | 133837 | 1 | None | -1 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 543 | 8 | 1 | 5 | 2.2 | NS(=O)(=O)N1CCN(C2CN(CC[C@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CC4)C3)C2)CC1 | 10.1016/j.bmcl.2005.05.134 | ||
| 44305557 | 209592 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 522 | 8 | 2 | 5 | 6.3 | COc1cc(C(=O)Nc2cc(C(=O)NC3CCCCC3)ccc2-c2ccc(Cl)cc2)cc(OC)c1OC | 10.1021/jm058225d | ||
| CHEMBL62341 | 209592 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 522 | 8 | 2 | 5 | 6.3 | COc1cc(C(=O)Nc2cc(C(=O)NC3CCCCC3)ccc2-c2ccc(Cl)cc2)cc(OC)c1OC | 10.1021/jm058225d | ||
| 44305557 | 209592 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 522 | 8 | 2 | 5 | 6.3 | COc1cc(C(=O)Nc2cc(C(=O)NC3CCCCC3)ccc2-c2ccc(Cl)cc2)cc(OC)c1OC | 10.1016/s0960-894x(02)00382-7 | ||
| CHEMBL62341 | 209592 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 522 | 8 | 2 | 5 | 6.3 | COc1cc(C(=O)Nc2cc(C(=O)NC3CCCCC3)ccc2-c2ccc(Cl)cc2)cc(OC)c1OC | 10.1016/s0960-894x(02)00382-7 | ||
| CHEMBL431641 | 220405 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | None | None | None | CC(C)CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(C)C)C(N)=O | 10.1021/jm9807151 | ||||
| 71458099 | 86366 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 589 | 7 | 2 | 3 | 5.4 | CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](/C=C/C(=O)N[C@H]1CCCCNC1=O)Cc1ccc(Cl)cc1 | 10.1016/s0960-894x(00)00260-2 | ||
| CHEMBL2114398 | 86366 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 589 | 7 | 2 | 3 | 5.4 | CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](/C=C/C(=O)N[C@H]1CCCCNC1=O)Cc1ccc(Cl)cc1 | 10.1016/s0960-894x(00)00260-2 | ||
| 155558726 | 181587 | 0 | None | -3 | 4 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 835 | 11 | 0 | 13 | 6.7 | CC(C)CCO[C@H]1[C@H]2CCN(CCc3ccc4ccccc4c3)CC[C@H]3O[C@H](Cn4cc(nn4)COC[C@@H](O2)[C@@H]2OC(C)(C)O[C@H]12)[C@@H]1OC(C)(C)O[C@@H]1[C@H]3OCCC(C)C | 10.1016/j.ejmech.2019.04.064 | ||
| CHEMBL4562303 | 181587 | 0 | None | -3 | 4 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 835 | 11 | 0 | 13 | 6.7 | CC(C)CCO[C@H]1[C@H]2CCN(CCc3ccc4ccccc4c3)CC[C@H]3O[C@H](Cn4cc(nn4)COC[C@@H](O2)[C@@H]2OC(C)(C)O[C@H]12)[C@@H]1OC(C)(C)O[C@@H]1[C@H]3OCCC(C)C | 10.1016/j.ejmech.2019.04.064 | ||
| 5353853 | 24758 | 47 | None | -14 | 15 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
| 9556529 | 24758 | 47 | None | -14 | 15 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
| CHEMBL1262 | 24758 | 47 | None | -14 | 15 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
| 44301871 | 107524 | 5 | None | - | 1 | Golden hamster | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 441 | 9 | 3 | 3 | 4.4 | O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1)OCc1ccccc1 | 10.1016/S0960-894X(97)00346-6 | ||
| CHEMBL292766 | 107524 | 5 | None | - | 1 | Golden hamster | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 441 | 9 | 3 | 3 | 4.4 | O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1)OCc1ccccc1 | 10.1016/S0960-894X(97)00346-6 | ||
| CHEMBL311405 | 217878 | 16 | None | - | 0 | Golden hamster | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCC(N)=O)C(N)=O | 10.1016/0960-894X(94)85022-4 | ||||
| 44212284 | 66762 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 609 | 9 | 1 | 5 | 5.7 | COc1ccc(C(=O)N2CCC(CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)c(OC)c1 | 10.1016/0960-894X(96)00148-5 | ||
| CHEMBL173420 | 66762 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 609 | 9 | 1 | 5 | 5.7 | COc1ccc(C(=O)N2CCC(CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)c(OC)c1 | 10.1016/0960-894X(96)00148-5 | ||
| CHEMBL102128 | 215233 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | None | None | None | CC(C)CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(C)C)C(N)=O | 10.1021/jm9807151 | ||||
| 23294214 | 175939 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 590 | 7 | 1 | 4 | 6.9 | O=C(c1ccccc1)N1CCCC(CCCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/s0960-894x(98)00215-7 | ||
| CHEMBL440465 | 175939 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 590 | 7 | 1 | 4 | 6.9 | O=C(c1ccccc1)N1CCCC(CCCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/s0960-894x(98)00215-7 | ||
| CHEMBL406442 | 219387 | 0 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(c1ccccc1)c1ccccc1)C(N)=O | 10.1021/jm00037a009 | ||||
| 1016 | 10519 | 78 | None | -16 | 35 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| 2561 | 10519 | 78 | None | -16 | 35 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| 2733526 | 10519 | 78 | None | -16 | 35 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| 5384 | 10519 | 78 | None | -16 | 35 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| CHEMBL83 | 10519 | 78 | None | -16 | 35 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| DB00675 | 10519 | 78 | None | -16 | 35 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| CHEMBL103939 | 215239 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | None | None | None | CC(C)CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(C)C)C(N)=O | 10.1021/jm9807151 | ||||
| CHEMBL2115375 | 216045 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)[C@H]1CCc2ccccc21)C(N)=O | 10.1021/jm00037a009 | ||||
| 1836 | 9370 | 59 | None | -40 | 15 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | ||
| 3340 | 9370 | 59 | None | -40 | 15 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | ||
| 5281040 | 9370 | 59 | None | -40 | 15 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | ||
| CHEMBL787 | 9370 | 59 | None | -40 | 15 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | ||
| DB00471 | 9370 | 59 | None | -40 | 15 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | ||
| 9832198 | 113532 | 0 | None | - | 3 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 788 | 15 | 4 | 8 | 3.2 | CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)CCC(=O)O)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O | 10.1021/jm00063a015 | ||
| CHEMBL3144351 | 113532 | 0 | None | - | 3 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 788 | 15 | 4 | 8 | 3.2 | CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)CCC(=O)O)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O | 10.1021/jm00063a015 | ||
| 10393390 | 105053 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 576 | 8 | 0 | 3 | 7.6 | CC(=O)C1(c2ccccc2)CCN(CCCC2(c3ccc(Cl)c(Cl)c3)CCCN(C(=O)c3ccccc3)C2)CC1 | 10.1016/s0960-894x(98)00215-7 | ||
| CHEMBL27463 | 105053 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 576 | 8 | 0 | 3 | 7.6 | CC(=O)C1(c2ccccc2)CCN(CCCC2(c3ccc(Cl)c(Cl)c3)CCCN(C(=O)c3ccccc3)C2)CC1 | 10.1016/s0960-894x(98)00215-7 | ||
| CHEMBL216813 | 216120 | 0 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C1Cc2ccccc2C1)C(N)=O | 10.1021/jm00037a009 | ||||
| 132837 | 9018 | 55 | None | -18 | 5 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 472 | 6 | 2 | 3 | 5.0 | CC(=O)N[C@H](C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)Cc1c[nH]c2c1cccc2 | 10.1021/jm100157m | ||
| 9461 | 9018 | 55 | None | -18 | 5 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 472 | 6 | 2 | 3 | 5.0 | CC(=O)N[C@H](C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)Cc1c[nH]c2c1cccc2 | 10.1021/jm100157m | ||
| CHEMBL22870 | 9018 | 55 | None | -18 | 5 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 472 | 6 | 2 | 3 | 5.0 | CC(=O)N[C@H](C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)Cc1c[nH]c2c1cccc2 | 10.1021/jm100157m | ||
| 2351 | 10059 | 64 | None | -13 | 21 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
| 2820 | 10059 | 64 | None | -13 | 21 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
| 5035 | 10059 | 64 | None | -13 | 21 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
| CHEMBL81 | 10059 | 64 | None | -13 | 21 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
| DB00481 | 10059 | 64 | None | -13 | 21 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
| 44386230 | 68137 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 735 | 8 | 1 | 4 | 7.2 | COc1c(Br)cc(C(=O)N2CCC(CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc1Br | 10.1016/0960-894X(96)00148-5 | ||
| CHEMBL176811 | 68137 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 735 | 8 | 1 | 4 | 7.2 | COc1c(Br)cc(C(=O)N2CCC(CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc1Br | 10.1016/0960-894X(96)00148-5 | ||
| 44319084 | 20469 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 723 | 10 | 0 | 8 | 5.4 | COc1cc(C(=O)N2CC[C@](CCN3CCC(C(=O)N4CCN(C)CC4)(c4cccnc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC | 10.1016/S0960-894X(97)10013-0 | ||
| CHEMBL1194867 | 20469 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 723 | 10 | 0 | 8 | 5.4 | COc1cc(C(=O)N2CC[C@](CCN3CCC(C(=O)N4CCN(C)CC4)(c4cccnc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC | 10.1016/S0960-894X(97)10013-0 | ||
| CHEMBL553451 | 20469 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 723 | 10 | 0 | 8 | 5.4 | COc1cc(C(=O)N2CC[C@](CCN3CCC(C(=O)N4CCN(C)CC4)(c4cccnc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC | 10.1016/S0960-894X(97)10013-0 | ||
| 133 | 9274 | 52 | None | -165 | 43 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
| 1723 | 9274 | 52 | None | -165 | 43 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
| 28693 | 9274 | 52 | None | -165 | 43 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
| CHEMBL19215 | 9274 | 52 | None | -165 | 43 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
| DB13520 | 9274 | 52 | None | -165 | 43 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
| CHEMBL405209 | 219328 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C1c2ccccc2-c2ccccc21)C(N)=O | 10.1021/jm00037a009 | ||||
| 49863731 | 22102 | 0 | None | -5 | 3 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1266 | 18 | 10 | 12 | 6.1 | CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1021/jm100157m | ||
| CHEMBL1214024 | 22102 | 0 | None | -5 | 3 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1266 | 18 | 10 | 12 | 6.1 | CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1021/jm100157m | ||
| 1024 | 8072 | 71 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | None | None | None | None | nan | ||||
| 162639143 | 8072 | 71 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | None | None | None | None | nan | ||||
| 5284373 | 8072 | 71 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | None | None | None | None | nan | ||||
| 760 | 8072 | 71 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | None | None | None | None | nan | ||||
| CHEMBL160 | 8072 | 71 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | None | None | None | None | nan | ||||
| DB00091 | 8072 | 71 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | None | None | None | None | nan | ||||
| 3598 | 194600 | 76 | None | -1 | 7 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 404 | 2 | 2 | 2 | 6.6 | Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl | nan | ||
| CHEMBL496 | 194600 | 76 | None | -1 | 7 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 404 | 2 | 2 | 2 | 6.6 | Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl | nan | ||
| 73265454 | 133226 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 646 | 5 | 1 | 4 | 6.3 | COC(=O)N[C@H]1CC[C@H](C(=O)N2C[C@@H](N(C)C(=O)N(C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@H](c3ccc(F)cc3)C2)CC1 | nan | ||
| CHEMBL3651893 | 133226 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 646 | 5 | 1 | 4 | 6.3 | COC(=O)N[C@H]1CC[C@H](C(=O)N2C[C@@H](N(C)C(=O)N(C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@H](c3ccc(F)cc3)C2)CC1 | nan | ||
| 44384677 | 138236 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 667 | 11 | 1 | 6 | 6.5 | COc1cc(C(=O)N2CCC(CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC(C)C | 10.1016/0960-894X(96)00148-5 | ||
| CHEMBL369174 | 138236 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 667 | 11 | 1 | 6 | 6.5 | COc1cc(C(=O)N2CCC(CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC(C)C | 10.1016/0960-894X(96)00148-5 | ||
| 73265449 | 131190 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 630 | 4 | 0 | 3 | 6.0 | CC(=O)N1CCC(C(=O)N2CC[C@@H](N(C)C(=O)N(C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@H](c3ccc(F)cc3)C2)CC1 | nan | ||
| CHEMBL3639507 | 131190 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 630 | 4 | 0 | 3 | 6.0 | CC(=O)N1CCC(C(=O)N2CC[C@@H](N(C)C(=O)N(C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@H](c3ccc(F)cc3)C2)CC1 | nan | ||
| 44312285 | 109734 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 703 | 7 | 2 | 4 | 7.6 | CSN1CC2(CCN(C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N(C)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)c2ccccc21 | 10.1016/s0960-894x(98)00395-3 | ||
| CHEMBL306400 | 109734 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 703 | 7 | 2 | 4 | 7.6 | CSN1CC2(CCN(C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N(C)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)c2ccccc21 | 10.1016/s0960-894x(98)00395-3 | ||
| 122179477 | 128252 | 5 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 525 | 5 | 3 | 9 | 3.2 | CCn1cc([C@@]2(c3nn(C)c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | ||
| CHEMBL3582336 | 128252 | 5 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 525 | 5 | 3 | 9 | 3.2 | CCn1cc([C@@]2(c3nn(C)c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | ||
| 71449072 | 85353 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 645 | 5 | 2 | 3 | 7.4 | CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(=O)N[C@@H]2CCCCNC2=O)ccc1-c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00382-7 | ||
| CHEMBL2112212 | 85353 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 645 | 5 | 2 | 3 | 7.4 | CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(=O)N[C@@H]2CCCCNC2=O)ccc1-c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00382-7 | ||
| 11059058 | 16863 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 429 | 3 | 1 | 7 | 4.1 | O=C(OCc1cc2c(cc1Cl)OCO2)N1CCC(n2c(O)nc3ccccc32)CC1 | 10.1021/jm010878g | ||
| CHEMBL115444 | 16863 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 429 | 3 | 1 | 7 | 4.1 | O=C(OCc1cc2c(cc1Cl)OCO2)N1CCC(n2c(O)nc3ccccc32)CC1 | 10.1021/jm010878g | ||
| 10350454 | 113508 | 0 | None | - | 3 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 815 | 18 | 4 | 8 | 4.3 | CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)CCCCCCN)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O | 10.1021/jm00063a015 | ||
| CHEMBL3144209 | 113508 | 0 | None | - | 3 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 815 | 18 | 4 | 8 | 4.3 | CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)CCCCCCN)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O | 10.1021/jm00063a015 | ||
| 44290659 | 108310 | 0 | None | - | 0 | Guinea pig | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 654 | 8 | 1 | 7 | 5.7 | COc1cc(C(=O)N2CCO[C@](CCN3CCC4(CC3)c3ccccc3C[C@H]4O)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC | 10.1016/s0960-894x(00)00324-3 | ||
| CHEMBL298247 | 108310 | 0 | None | - | 0 | Guinea pig | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 654 | 8 | 1 | 7 | 5.7 | COc1cc(C(=O)N2CCO[C@](CCN3CCC4(CC3)c3ccccc3C[C@H]4O)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC | 10.1016/s0960-894x(00)00324-3 | ||
| CHEMBL411230 | 219653 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(N)=O | 10.1021/jm00037a009 | ||||
| 44288896 | 175766 | 0 | None | - | 0 | Bovine | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 517 | 5 | 1 | 3 | 6.2 | O=C(N[C@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2)[C@H](Cc2ccccc2)C1)c1ccnc2ccccc12 | 10.1016/0960-894X(96)00287-9 | ||
| CHEMBL43912 | 175766 | 0 | None | - | 0 | Bovine | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 517 | 5 | 1 | 3 | 6.2 | O=C(N[C@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2)[C@H](Cc2ccccc2)C1)c1ccnc2ccccc12 | 10.1016/0960-894X(96)00287-9 | ||
| 44312256 | 211359 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 554 | 7 | 2 | 5 | 5.7 | CSN1CC2(CCN(C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)OCc3ccccc3)CC2)c2ccccc21 | 10.1016/s0960-894x(98)00395-3 | ||
| CHEMBL73097 | 211359 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 554 | 7 | 2 | 5 | 5.7 | CSN1CC2(CCN(C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)OCc3ccccc3)CC2)c2ccccc21 | 10.1016/s0960-894x(98)00395-3 | ||
| 1752 | 52535 | 59 | None | -1 | 5 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 220 | 8 | 1 | 1 | 4.7 | CCCCCCCCCc1ccc(O)cc1 | nan | ||
| CHEMBL153062 | 52535 | 59 | None | -1 | 5 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 220 | 8 | 1 | 1 | 4.7 | CCCCCCCCCc1ccc(O)cc1 | nan | ||
| 1548953 | 214458 | 27 | None | -7 | 17 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 | nan | ||
| CHEMBL954 | 214458 | 27 | None | -7 | 17 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 | nan | ||
| CHEMBL1201469 | 21279 | 0 | None | 1 | 4 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | None | None | None | None | nan | ||||
| CHEMBL2112245 | 216011 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CSSC[C@H](C(=O)O)NC(=O)[C@H](CO)NC1=O | 10.1021/jm000316h | ||||
| 10350528 | 113510 | 0 | None | - | 3 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 831 | 18 | 4 | 9 | 4.2 | CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)OCCCCCCN)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O | 10.1021/jm00063a015 | ||
| CHEMBL3144210 | 113510 | 0 | None | - | 3 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 831 | 18 | 4 | 9 | 4.2 | CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)OCCCCCCN)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O | 10.1021/jm00063a015 | ||
| 11951302 | 111621 | 0 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 404 | 7 | 2 | 5 | 3.5 | COCCOc1ncc(C(=O)N[C@@H]2CCCC[C@H]2O)cc1-c1ccc(Cl)cc1 | 10.1021/jm4010708 | ||
| CHEMBL3109772 | 111621 | 0 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 404 | 7 | 2 | 5 | 3.5 | COCCOc1ncc(C(=O)N[C@@H]2CCCC[C@H]2O)cc1-c1ccc(Cl)cc1 | 10.1021/jm4010708 | ||
| 2406 | 107180 | 89 | None | -16 | 12 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 354 | 2 | 2 | 3 | 5.9 | Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O | nan | ||
| CHEMBL290106 | 107180 | 89 | None | -16 | 12 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 354 | 2 | 2 | 3 | 5.9 | Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O | nan | ||
| 4189 | 213701 | 96 | None | -18 | 34 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
| CHEMBL1559 | 213701 | 96 | None | -18 | 34 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
| CHEMBL91 | 213701 | 96 | None | -18 | 34 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
| 10439730 | 113534 | 0 | None | - | 3 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 702 | 12 | 3 | 6 | 3.3 | CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O | 10.1021/jm00063a015 | ||
| CHEMBL3144353 | 113534 | 0 | None | - | 3 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 702 | 12 | 3 | 6 | 3.3 | CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O | 10.1021/jm00063a015 | ||
| 44402934 | 77847 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 589 | 9 | 1 | 3 | 6.2 | CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](/C=C/C(=O)NCCN1CCCCC1)Cc1ccc(Cl)cc1 | 10.1021/jm058225d | ||
| CHEMBL195222 | 77847 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 589 | 9 | 1 | 3 | 6.2 | CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](/C=C/C(=O)NCCN1CCCCC1)Cc1ccc(Cl)cc1 | 10.1021/jm058225d | ||
| 10379 | 9833 | 39 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 340 | 5 | 1 | 7 | 3.3 | CC[C@H](Nc1nc(C)nc2n1nc(c2c1ccc(nc1C)OC)C)C | 10.1021/jm900025h | ||
| 9884366 | 9833 | 39 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 340 | 5 | 1 | 7 | 3.3 | CC[C@H](Nc1nc(C)nc2n1nc(c2c1ccc(nc1C)OC)C)C | 10.1021/jm900025h | ||
| CHEMBL482950 | 9833 | 39 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 340 | 5 | 1 | 7 | 3.3 | CC[C@H](Nc1nc(C)nc2n1nc(c2c1ccc(nc1C)OC)C)C | 10.1021/jm900025h | ||
| DB12572 | 9833 | 39 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 340 | 5 | 1 | 7 | 3.3 | CC[C@H](Nc1nc(C)nc2n1nc(c2c1ccc(nc1C)OC)C)C | 10.1021/jm900025h | ||
| CHEMBL264341 | 217393 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)/C(=C/c1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(N)=O | 10.1021/jm00037a009 | ||||
| 5318 | 22348 | 49 | None | -1 | 13 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| CHEMBL1200348 | 22348 | 49 | None | -1 | 13 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| CHEMBL1221 | 22348 | 49 | None | -1 | 13 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| 9939040 | 11782 | 7 | None | -2 | 4 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 623 | 7 | 2 | 3 | 6.1 | CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](/C=C/C(=O)N[C@@H]1CCCCNC1=O)Cc1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00631-x | ||
| CHEMBL105060 | 11782 | 7 | None | -2 | 4 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 623 | 7 | 2 | 3 | 6.1 | CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](/C=C/C(=O)N[C@@H]1CCCCNC1=O)Cc1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00631-x | ||
| 44335319 | 114287 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 626 | 8 | 2 | 4 | 5.7 | CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(CCC(=O)N[C@@H]1CCCCNC1=O)Cc1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00631-x | ||
| CHEMBL318606 | 114287 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 626 | 8 | 2 | 4 | 5.7 | CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(CCC(=O)N[C@@H]1CCCCNC1=O)Cc1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00631-x | ||
| 25109291 | 198165 | 10 | None | -72 | 8 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 327 | 1 | 2 | 6 | 1.7 | Nc1nc2c(c(N3CCNCC3)n1)CCC1=C2[C@@H]2CCCC[C@@H]2O1 | 10.1021/jm8007618 | ||
| CHEMBL519240 | 198165 | 10 | None | -72 | 8 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 327 | 1 | 2 | 6 | 1.7 | Nc1nc2c(c(N3CCNCC3)n1)CCC1=C2[C@@H]2CCCC[C@@H]2O1 | 10.1021/jm8007618 | ||
| 10101612 | 124075 | 0 | None | - | 0 | Golden hamster | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 752 | 25 | 10 | 11 | -2.0 | CSCC[C@H](NC[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(N)=O | 10.1021/jm00099a024 | ||
| CHEMBL339615 | 124075 | 0 | None | - | 0 | Golden hamster | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 752 | 25 | 10 | 11 | -2.0 | CSCC[C@H](NC[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(N)=O | 10.1021/jm00099a024 | ||
| 44276673 | 104132 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 604 | 7 | 1 | 4 | 6.6 | O=C(c1ccccc1)N1CCCC(CCCN2CCC3(CC2)CN(c2ccccc2)NC3=O)(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/s0960-894x(98)00215-7 | ||
| CHEMBL26951 | 104132 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 604 | 7 | 1 | 4 | 6.6 | O=C(c1ccccc1)N1CCCC(CCCN2CCC3(CC2)CN(c2ccccc2)NC3=O)(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/s0960-894x(98)00215-7 | ||
| 11989776 | 9481 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 569 | 5 | 1 | 6 | 5.9 | COC(=O)N(c1ccccc1)NC(=O)c1c(CN2CCN(CC2)C(C)(C)C)c(nc2c1cccc2F)c1ccccc1 | 10.1016/j.bmcl.2006.08.085 | ||
| 2130 | 9481 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 569 | 5 | 1 | 6 | 5.9 | COC(=O)N(c1ccccc1)NC(=O)c1c(CN2CCN(CC2)C(C)(C)C)c(nc2c1cccc2F)c1ccccc1 | 10.1016/j.bmcl.2006.08.085 | ||
| CHEMBL221445 | 9481 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 569 | 5 | 1 | 6 | 5.9 | COC(=O)N(c1ccccc1)NC(=O)c1c(CN2CCN(CC2)C(C)(C)C)c(nc2c1cccc2F)c1ccccc1 | 10.1016/j.bmcl.2006.08.085 | ||
| 44305271 | 109021 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 528 | 4 | 0 | 2 | 7.0 | CN(C)C(=O)c1ccc(-c2ccc(Cl)cc2)c(N(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 | 10.1016/s0960-894x(02)00382-7 | ||
| CHEMBL303119 | 109021 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 528 | 4 | 0 | 2 | 7.0 | CN(C)C(=O)c1ccc(-c2ccc(Cl)cc2)c(N(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 | 10.1016/s0960-894x(02)00382-7 | ||
| 44291515 | 107915 | 0 | None | - | 0 | Golden hamster | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 580 | 17 | 4 | 5 | 4.6 | CC(C)(C)OC(=O)N[C@@](C)(Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCCCCCCC(N)=O | 10.1016/S0960-894X(00)80360-1 | ||
| CHEMBL295301 | 107915 | 0 | None | - | 0 | Golden hamster | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 580 | 17 | 4 | 5 | 4.6 | CC(C)(C)OC(=O)N[C@@](C)(Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCCCCCCC(N)=O | 10.1016/S0960-894X(00)80360-1 | ||
| 44305544 | 209853 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 582 | 5 | 1 | 2 | 8.4 | CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(=O)NC2CCCCC2)ccc1-c1ccc(Cl)cc1 | 10.1016/s0960-894x(02)00382-7 | ||
| CHEMBL63785 | 209853 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 582 | 5 | 1 | 2 | 8.4 | CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(=O)NC2CCCCC2)ccc1-c1ccc(Cl)cc1 | 10.1016/s0960-894x(02)00382-7 | ||
| 5362440 | 16793 | 63 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 613 | 11 | 4 | 7 | 2.9 | CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O | nan | ||
| CHEMBL115 | 16793 | 63 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 613 | 11 | 4 | 7 | 2.9 | CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O | nan | ||
| 10907460 | 16600 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 521 | 11 | 1 | 3 | 5.8 | CCOc1ccc(CCNC(=O)N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 | 10.1021/jm010878g | ||
| CHEMBL113956 | 16600 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 521 | 11 | 1 | 3 | 5.8 | CCOc1ccc(CCNC(=O)N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 | 10.1021/jm010878g | ||
| CHEMBL2372444 | 217024 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(N)=O | 10.1021/jm00037a009 | ||||
| 44281769 | 116437 | 7 | None | - | 0 | Golden hamster | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 484 | 10 | 4 | 4 | 3.2 | NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 | 10.1016/0960-894X(95)00254-Q | ||
| CHEMBL32248 | 116437 | 7 | None | - | 0 | Golden hamster | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 484 | 10 | 4 | 4 | 3.2 | NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 | 10.1016/0960-894X(95)00254-Q | ||
| 44345938 | 18775 | 0 | None | - | 0 | Golden hamster | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 350 | 7 | 4 | 3 | 1.3 | NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12 | 10.1016/S0960-894X(96)00570-7 | ||
| CHEMBL118328 | 18775 | 0 | None | - | 0 | Golden hamster | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 350 | 7 | 4 | 3 | 1.3 | NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12 | 10.1016/S0960-894X(96)00570-7 | ||
| 44212281 | 137394 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 609 | 9 | 1 | 5 | 5.7 | COc1cccc(OC)c1C(=O)N1CCC(CCN2CCC(C(N)=O)(c3ccccc3)CC2)(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/0960-894X(96)00148-5 | ||
| CHEMBL368159 | 137394 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 609 | 9 | 1 | 5 | 5.7 | COc1cccc(OC)c1C(=O)N1CCC(CCN2CCC(C(N)=O)(c3ccccc3)CC2)(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/0960-894X(96)00148-5 | ||
| CHEMBL2114442 | 216033 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)[C@@H]1CCc2ccccc21)C(N)=O | 10.1021/jm00037a009 | ||||
| 44190762 | 183659 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 531 | 8 | 1 | 5 | 6.6 | Cc1c(C(=O)c2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc2n1Cc1cccc(O[C@H](C)C(=O)O)c1 | 10.1016/j.bmcl.2008.07.103 | ||
| CHEMBL461571 | 183659 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 531 | 8 | 1 | 5 | 6.6 | Cc1c(C(=O)c2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc2n1Cc1cccc(O[C@H](C)C(=O)O)c1 | 10.1016/j.bmcl.2008.07.103 | ||
| 44386105 | 138708 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 621 | 10 | 1 | 4 | 6.4 | CC(C)Oc1cccc(CC(=O)N2CCC(CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)c1 | 10.1016/0960-894X(96)00148-5 | ||
| CHEMBL369498 | 138708 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 621 | 10 | 1 | 4 | 6.4 | CC(C)Oc1cccc(CC(=O)N2CCC(CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)c1 | 10.1016/0960-894X(96)00148-5 | ||
| 44335360 | 11637 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 608 | 8 | 2 | 4 | 5.5 | CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(CCC(=O)N[C@@H]1CCCCNC1=O)Cc1ccc2ccccc2c1 | 10.1016/s0960-894x(01)00631-x | ||
| CHEMBL104348 | 11637 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 608 | 8 | 2 | 4 | 5.5 | CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(CCC(=O)N[C@@H]1CCCCNC1=O)Cc1ccc2ccccc2c1 | 10.1016/s0960-894x(01)00631-x | ||
| 10077113 | 128321 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 589 | 7 | 2 | 3 | 5.4 | CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(/C=C/C(=O)NC1CCCCNC1=O)Cc1ccc(Cl)cc1 | 10.1016/s0960-894x(00)00260-2 | ||
| CHEMBL35857 | 128321 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 589 | 7 | 2 | 3 | 5.4 | CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(/C=C/C(=O)NC1CCCCNC1=O)Cc1ccc(Cl)cc1 | 10.1016/s0960-894x(00)00260-2 | ||
| 44385575 | 66570 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 653 | 11 | 1 | 6 | 5.6 | COc1cc(CC(=O)N2CCC(CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC | 10.1016/0960-894X(96)00148-5 | ||
| CHEMBL172676 | 66570 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 653 | 11 | 1 | 6 | 5.6 | COc1cc(CC(=O)N2CCC(CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC | 10.1016/0960-894X(96)00148-5 | ||
| 44411637 | 146058 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 441 | 4 | 1 | 3 | 4.5 | O=C(CC1CCN(C(=O)c2cccc(C#Cc3ccccn3)c2)CC1)Nc1ccccc1F | 10.1016/j.bmcl.2006.02.027 | ||
| CHEMBL379097 | 146058 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 441 | 4 | 1 | 3 | 4.5 | O=C(CC1CCN(C(=O)c2cccc(C#Cc3ccccn3)c2)CC1)Nc1ccccc1F | 10.1016/j.bmcl.2006.02.027 | ||
| 10076881 | 169695 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 577 | 5 | 2 | 3 | 6.1 | CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(=O)NC2CCCCNC2=O)ccc1-c1ccccc1 | 10.1016/s0960-894x(02)00382-7 | ||
| CHEMBL417407 | 169695 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 577 | 5 | 2 | 3 | 6.1 | CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(=O)NC2CCCCNC2=O)ccc1-c1ccccc1 | 10.1016/s0960-894x(02)00382-7 | ||
| 10055770 | 124254 | 0 | None | - | 0 | Golden hamster | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 734 | 24 | 10 | 10 | -1.7 | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(N)=O | 10.1021/jm00099a024 | ||
| CHEMBL339941 | 124254 | 0 | None | - | 0 | Golden hamster | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 734 | 24 | 10 | 10 | -1.7 | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(N)=O | 10.1021/jm00099a024 | ||
| CHEMBL2114443 | 216034 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)[C@@H]1CCc2ccccc21)C(N)=O | 10.1021/jm00037a009 | ||||
| 44319355 | 112299 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 605 | 10 | 1 | 6 | 5.1 | COc1cc(C(=O)N2CCC(CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)cc3)C2)cc(OC)c1OC | 10.1016/S0960-894X(97)10013-0 | ||
| CHEMBL312173 | 112299 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 605 | 10 | 1 | 6 | 5.1 | COc1cc(C(=O)N2CCC(CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)cc3)C2)cc(OC)c1OC | 10.1016/S0960-894X(97)10013-0 | ||
| 71450949 | 86324 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 567 | 7 | 2 | 4 | 5.6 | CSN1CC2(CCN(C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)N(C)Cc3ccccc3)CC2)c2ccccc21 | 10.1016/s0960-894x(98)00395-3 | ||
| CHEMBL2114103 | 86324 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 567 | 7 | 2 | 4 | 5.6 | CSN1CC2(CCN(C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)N(C)Cc3ccccc3)CC2)c2ccccc21 | 10.1016/s0960-894x(98)00395-3 | ||
| 11790 | 106263 | 98 | None | -2 | 4 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 272 | 1 | 0 | 2 | 4.6 | O=c1cc(-c2ccccc2)oc2c1ccc1ccccc12 | nan | ||
| CHEMBL283196 | 106263 | 98 | None | -2 | 4 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 272 | 1 | 0 | 2 | 4.6 | O=c1cc(-c2ccccc2)oc2c1ccc1ccccc12 | nan | ||
| 73265456 | 133228 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 590 | 4 | 1 | 3 | 5.7 | CN(C(=O)N(C)[C@@H]1CN(C(=O)NC2CCOCC2)C[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 | nan | ||
| CHEMBL3651895 | 133228 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 590 | 4 | 1 | 3 | 5.7 | CN(C(=O)N(C)[C@@H]1CN(C(=O)NC2CCOCC2)C[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 | nan | ||
| 71461705 | 86393 | 0 | None | - | 0 | Guinea pig | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 672 | 8 | 0 | 7 | 6.0 | COc1cc(C(=O)N2CCO[C@](CCN3CCC4(CC3)c3ccccc3C[S@@+]4[O-])(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC | 10.1016/s0960-894x(00)00324-3 | ||
| CHEMBL2114963 | 86393 | 0 | None | - | 0 | Guinea pig | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 672 | 8 | 0 | 7 | 6.0 | COc1cc(C(=O)N2CCO[C@](CCN3CCC4(CC3)c3ccccc3C[S@@+]4[O-])(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC | 10.1016/s0960-894x(00)00324-3 | ||
| 9916195 | 127277 | 3 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 576 | 7 | 1 | 4 | 5.0 | CN(C)C(=O)NC1(c2ccccc2)CCN(CC[C@@]2(c3ccc(F)c(F)c3)CN(C(=O)c3ccccc3)CCO2)CC1 | 10.1016/s0960-894x(01)00074-9 | ||
| CHEMBL354422 | 127277 | 3 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 576 | 7 | 1 | 4 | 5.0 | CN(C)C(=O)NC1(c2ccccc2)CCN(CC[C@@]2(c3ccc(F)c(F)c3)CN(C(=O)c3ccccc3)CCO2)CC1 | 10.1016/s0960-894x(01)00074-9 | ||
| CHEMBL126294 | 215446 | 19 | None | - | 0 | Golden hamster | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(N)=O | 10.1021/jm00099a024 | ||||
| 44310284 | 211155 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 465 | 7 | 0 | 4 | 3.7 | O=C(CC1CC1)N1CCC(CCN2CC(N3CCOCC3)C2)(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/s0960-894x(03)00343-3 | ||
| CHEMBL71784 | 211155 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 465 | 7 | 0 | 4 | 3.7 | O=C(CC1CC1)N1CCC(CCN2CC(N3CCOCC3)C2)(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/s0960-894x(03)00343-3 | ||
| 44310102 | 211172 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 418 | 7 | 0 | 2 | 5.7 | CN(CC(CCN1CCCCC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 | 10.1016/s0960-894x(03)00343-3 | ||
| CHEMBL71918 | 211172 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 418 | 7 | 0 | 2 | 5.7 | CN(CC(CCN1CCCCC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 | 10.1016/s0960-894x(03)00343-3 | ||
| 10950925 | 136432 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 478 | 7 | 1 | 4 | 3.8 | NC1CCN(C2CN(CC[C@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CC4)C3)C2)CC1 | 10.1016/j.bmcl.2005.05.134 | ||
| CHEMBL367348 | 136432 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 478 | 7 | 1 | 4 | 3.8 | NC1CCN(C2CN(CC[C@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CC4)C3)C2)CC1 | 10.1016/j.bmcl.2005.05.134 | ||
| 44309946 | 210696 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 434 | 7 | 1 | 3 | 4.7 | CN(CC(CCN1CCC(O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 | 10.1016/s0960-894x(03)00343-3 | ||
| CHEMBL69065 | 210696 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 434 | 7 | 1 | 3 | 4.7 | CN(CC(CCN1CCC(O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 | 10.1016/s0960-894x(03)00343-3 | ||
| 23294208 | 103923 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 590 | 8 | 1 | 4 | 6.8 | O=C1CCC(CCCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 | 10.1016/s0960-894x(98)00215-7 | ||
| CHEMBL26790 | 103923 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 590 | 8 | 1 | 4 | 6.8 | O=C1CCC(CCCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 | 10.1016/s0960-894x(98)00215-7 | ||
| 44310237 | 110560 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 517 | 7 | 0 | 5 | 4.2 | COc1ccccc1C(=O)N1CCC(CCN2CC(N3CCOCC3)C2)(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/s0960-894x(03)00343-3 | ||
| CHEMBL308901 | 110560 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 517 | 7 | 0 | 5 | 4.2 | COc1ccccc1C(=O)N1CCC(CCN2CC(N3CCOCC3)C2)(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/s0960-894x(03)00343-3 | ||
| 44309945 | 109844 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 500 | 8 | 2 | 4 | 4.9 | CN(CC(CCN1CCC(O)(c2ncc[nH]2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 | 10.1016/s0960-894x(03)00343-3 | ||
| CHEMBL307338 | 109844 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 500 | 8 | 2 | 4 | 4.9 | CN(CC(CCN1CCC(O)(c2ncc[nH]2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 | 10.1016/s0960-894x(03)00343-3 | ||
| 44310282 | 210862 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 523 | 7 | 0 | 5 | 3.7 | O=S(=O)(c1ccccc1)N1CCC(CCN2CC(N3CCOCC3)C2)(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/s0960-894x(03)00343-3 | ||
| CHEMBL70157 | 210862 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 523 | 7 | 0 | 5 | 3.7 | O=S(=O)(c1ccccc1)N1CCC(CCN2CC(N3CCOCC3)C2)(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/s0960-894x(03)00343-3 | ||
| 10394084 | 126622 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 618 | 9 | 1 | 5 | 7.4 | CN(CC(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cccc(C2(C(F)(F)F)N=N2)c1 | 10.1016/0960-894X(96)00075-3 | ||
| CHEMBL348599 | 126622 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 618 | 9 | 1 | 5 | 7.4 | CN(CC(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cccc(C2(C(F)(F)F)N=N2)c1 | 10.1016/0960-894X(96)00075-3 | ||
| 44310456 | 109551 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 485 | 8 | 0 | 5 | 5.2 | CN(CC(CCN1CCC(n2cncn2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 | 10.1016/s0960-894x(03)00343-3 | ||
| CHEMBL305191 | 109551 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 485 | 8 | 0 | 5 | 5.2 | CN(CC(CCN1CCC(n2cncn2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 | 10.1016/s0960-894x(03)00343-3 | ||
| 44310433 | 211139 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 456 | 8 | 0 | 4 | 5.0 | CN(CC(CCN1CC(n2ccnc2)C1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 | 10.1016/s0960-894x(03)00343-3 | ||
| CHEMBL71704 | 211139 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 456 | 8 | 0 | 4 | 5.0 | CN(CC(CCN1CC(n2ccnc2)C1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 | 10.1016/s0960-894x(03)00343-3 | ||
| 11498370 | 107953 | 0 | None | - | 0 | Guinea pig | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 654 | 8 | 1 | 7 | 5.7 | COc1cc(C(=O)N2CCO[C@](CCN3CCC4(CC3)c3ccccc3C[C@@H]4O)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC | 10.1016/s0960-894x(00)00324-3 | ||
| CHEMBL295615 | 107953 | 0 | None | - | 0 | Guinea pig | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 654 | 8 | 1 | 7 | 5.7 | COc1cc(C(=O)N2CCO[C@](CCN3CCC4(CC3)c3ccccc3C[C@@H]4O)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC | 10.1016/s0960-894x(00)00324-3 | ||
| 44386231 | 68154 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 607 | 8 | 1 | 4 | 6.3 | COc1c(C)cc(C(=O)N2CCC(CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc1C | 10.1016/0960-894X(96)00148-5 | ||
| CHEMBL176951 | 68154 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 607 | 8 | 1 | 4 | 6.3 | COc1c(C)cc(C(=O)N2CCC(CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc1C | 10.1016/0960-894X(96)00148-5 | ||
| 44335372 | 11546 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 605 | 7 | 2 | 3 | 5.9 | CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](/C=C/C(=O)N[C@@H]1CCCCNC1=O)Cc1ccc2ccccc2c1 | 10.1016/s0960-894x(01)00631-x | ||
| CHEMBL103979 | 11546 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 605 | 7 | 2 | 3 | 5.9 | CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](/C=C/C(=O)N[C@@H]1CCCCNC1=O)Cc1ccc2ccccc2c1 | 10.1016/s0960-894x(01)00631-x | ||
| CHEMBL2372517 | 217045 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(c1ccccc1)c1ccccc1)C(N)=O | 10.1021/jm00037a009 | ||||
| 3198 | 212292 | 76 | None | -21 | 34 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| CHEMBL1201049 | 212292 | 76 | None | -21 | 34 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| CHEMBL808 | 212292 | 76 | None | -21 | 34 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| 138106885 | 173690 | 75 | None | -1 | 4 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 853 | 10 | 4 | 14 | 3.7 | CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C | nan | ||
| 36314 | 173690 | 75 | None | -1 | 4 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 853 | 10 | 4 | 14 | 3.7 | CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C | nan | ||
| CHEMBL428647 | 173690 | 75 | None | -1 | 4 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 853 | 10 | 4 | 14 | 3.7 | CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C | nan | ||
| 44291788 | 108189 | 0 | None | - | 0 | Golden hamster | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 553 | 16 | 4 | 5 | 4.7 | CC(C)(C)OC(=O)N[C@@](C)(Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCCCCCCO | 10.1016/S0960-894X(00)80360-1 | ||
| CHEMBL297327 | 108189 | 0 | None | - | 0 | Golden hamster | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 553 | 16 | 4 | 5 | 4.7 | CC(C)(C)OC(=O)N[C@@](C)(Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCCCCCCO | 10.1016/S0960-894X(00)80360-1 | ||
| 44291015 | 108004 | 2 | None | - | 0 | Golden hamster | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 553 | 16 | 4 | 5 | 4.7 | CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCCO | 10.1021/jm950892r | ||
| CHEMBL296014 | 108004 | 2 | None | - | 0 | Golden hamster | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 553 | 16 | 4 | 5 | 4.7 | CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCCO | 10.1021/jm950892r | ||
| 441243 | 16608 | 58 | None | -19 | 8 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 670 | 12 | 5 | 7 | 3.1 | CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 | nan | ||
| CHEMBL114 | 16608 | 58 | None | -19 | 8 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 670 | 12 | 5 | 7 | 3.1 | CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 | nan | ||
| CHEMBL307433 | 217759 | 0 | None | - | 0 | Golden hamster | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(C)=O)C(N)=O | 10.1016/0960-894X(94)85022-4 | ||||
| 10055415 | 113533 | 0 | None | - | 3 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 688 | 12 | 4 | 5 | 3.2 | CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O | 10.1021/jm00063a015 | ||
| CHEMBL3144352 | 113533 | 0 | None | - | 3 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 688 | 12 | 4 | 5 | 3.2 | CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O | 10.1021/jm00063a015 | ||
| 10055415 | 113533 | 0 | None | - | 3 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 688 | 12 | 4 | 5 | 3.2 | CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O | 10.1021/jm00063a015 | ||
| CHEMBL3144352 | 113533 | 0 | None | - | 3 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 688 | 12 | 4 | 5 | 3.2 | CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O | 10.1021/jm00063a015 | ||
| 2125 | 9804 | 2 | None | - | 1 | Golden hamster | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 581 | 16 | 5 | 5 | 4.0 | NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C | 10.1016/S0960-894X(00)80360-1 | ||
| 5311350 | 9804 | 2 | None | - | 1 | Golden hamster | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 581 | 16 | 5 | 5 | 4.0 | NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C | 10.1016/S0960-894X(00)80360-1 | ||
| CHEMBL444832 | 9804 | 2 | None | - | 1 | Golden hamster | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 581 | 16 | 5 | 5 | 4.0 | NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C | 10.1016/S0960-894X(00)80360-1 | ||
| 2125 | 9804 | 2 | None | - | 1 | Golden hamster | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 581 | 16 | 5 | 5 | 4.0 | NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C | 10.1021/jm950892r | ||
| 5311350 | 9804 | 2 | None | - | 1 | Golden hamster | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 581 | 16 | 5 | 5 | 4.0 | NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C | 10.1021/jm950892r | ||
| CHEMBL444832 | 9804 | 2 | None | - | 1 | Golden hamster | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 581 | 16 | 5 | 5 | 4.0 | NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C | 10.1021/jm950892r | ||
| 44335318 | 11877 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 603 | 8 | 2 | 3 | 5.9 | CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](/C=C/C(=O)NC1(C(N)=O)CCCCC1)Cc1ccc(Cl)cc1 | 10.1016/s0960-894x(01)00631-x | ||
| CHEMBL105600 | 11877 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 603 | 8 | 2 | 3 | 5.9 | CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](/C=C/C(=O)NC1(C(N)=O)CCCCC1)Cc1ccc(Cl)cc1 | 10.1016/s0960-894x(01)00631-x | ||
| 49863733 | 22104 | 0 | None | -2 | 4 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 1477 | 21 | 11 | 14 | 6.8 | CCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/jm100157m | ||
| CHEMBL1214026 | 22104 | 0 | None | -2 | 4 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 1477 | 21 | 11 | 14 | 6.8 | CCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/jm100157m | ||
| CHEMBL410808 | 219622 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(c1ccccc1)c1ccccc1)C(N)=O | 10.1021/jm00037a009 | ||||
| 657255 | 205863 | 34 | None | -17 | 15 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | nan | ||
| CHEMBL588119 | 205863 | 34 | None | -17 | 15 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | nan | ||
| CHEMBL405422 | 219340 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(C)(C)SC)C(N)=O | 10.1021/jm00037a009 | ||||
| 3040489 | 51335 | 2 | None | - | 0 | Golden hamster | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 318 | 4 | 1 | 2 | 3.8 | O=C1CCN(Cc2ccccc2)CC1Cc1c[nH]c2ccccc12 | 10.1016/0960-894X(94)80030-8 | ||
| CHEMBL151990 | 51335 | 2 | None | - | 0 | Golden hamster | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 318 | 4 | 1 | 2 | 3.8 | O=C1CCN(Cc2ccccc2)CC1Cc1c[nH]c2ccccc12 | 10.1016/0960-894X(94)80030-8 | ||
| CHEMBL264353 | 217397 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C1c2ccccc2-c2ccccc21)C(N)=O | 10.1021/jm00037a009 | ||||
| 44366600 | 49706 | 0 | None | - | 0 | Golden hamster | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 360 | 5 | 1 | 2 | 3.8 | O=C1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1Cc1ccccc1 | 10.1016/0960-894X(94)80030-8 | ||
| CHEMBL150346 | 49706 | 0 | None | - | 0 | Golden hamster | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 360 | 5 | 1 | 2 | 3.8 | O=C1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1Cc1ccccc1 | 10.1016/0960-894X(94)80030-8 | ||
| 135449286 | 199968 | 2 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 502 | 6 | 2 | 5 | 4.3 | O=c1[nH]nc(CN2CCO[C@H](OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2c2ccccc2)[nH]1 | 10.1021/jm950654w | ||
| CHEMBL52330 | 199968 | 2 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 502 | 6 | 2 | 5 | 4.3 | O=c1[nH]nc(CN2CCO[C@H](OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2c2ccccc2)[nH]1 | 10.1021/jm950654w | ||
| 44212285 | 130596 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 549 | 7 | 1 | 3 | 5.7 | NC(=O)C1(c2ccccc2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)CCN(C(=O)c3ccccc3)C2)CC1 | 10.1016/0960-894X(96)00148-5 | ||
| CHEMBL362394 | 130596 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 549 | 7 | 1 | 3 | 5.7 | NC(=O)C1(c2ccccc2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)CCN(C(=O)c3ccccc3)C2)CC1 | 10.1016/0960-894X(96)00148-5 | ||
| 73265450 | 133220 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 680 | 4 | 0 | 3 | 7.2 | CC(=O)N1CCC(C(=O)N2CC[C@@H](N(C)C(=O)N(C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1 | nan | ||
| CHEMBL3651887 | 133220 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 680 | 4 | 0 | 3 | 7.2 | CC(=O)N1CCC(C(=O)N2CC[C@@H](N(C)C(=O)N(C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1 | nan | ||
| 87318292 | 133230 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 616 | 4 | 0 | 3 | 5.6 | CC(=O)N1CCC(C(=O)N2C[C@H](c3ccc(F)cc3)[C@@H](N(C)C(=O)N(C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC1 | nan | ||
| CHEMBL3651897 | 133230 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 616 | 4 | 0 | 3 | 5.6 | CC(=O)N1CCC(C(=O)N2C[C@H](c3ccc(F)cc3)[C@@H](N(C)C(=O)N(C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC1 | nan | ||
| 44310105 | 211081 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 550 | 8 | 1 | 5 | 6.6 | CN(CC(CCN1CCCC(n2c(O)nc3ccccc32)C1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 | 10.1016/s0960-894x(03)00343-3 | ||
| CHEMBL71394 | 211081 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 550 | 8 | 1 | 5 | 6.6 | CN(CC(CCN1CCCC(n2c(O)nc3ccccc32)C1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 | 10.1016/s0960-894x(03)00343-3 | ||
| 44310432 | 211132 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 473 | 6 | 0 | 4 | 3.8 | O=C(c1ccccc1)N1CC(CCN2CC(N3CCOCC3)C2)(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/s0960-894x(03)00343-3 | ||
| CHEMBL71644 | 211132 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 473 | 6 | 0 | 4 | 3.8 | O=C(c1ccccc1)N1CC(CCN2CC(N3CCOCC3)C2)(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/s0960-894x(03)00343-3 | ||
| 44310150 | 109485 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 534 | 8 | 1 | 3 | 7.0 | CN(CC(CCN1CCC(c2nc3ccccc3[nH]2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 | 10.1016/s0960-894x(03)00343-3 | ||
| CHEMBL304807 | 109485 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 534 | 8 | 1 | 3 | 7.0 | CN(CC(CCN1CCC(c2nc3ccccc3[nH]2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 | 10.1016/s0960-894x(03)00343-3 | ||
| 44310262 | 211052 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 536 | 8 | 1 | 5 | 6.2 | CN(CC(CCN1CCC(n2c(O)nc3ccccc32)C1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 | 10.1016/s0960-894x(03)00343-3 | ||
| CHEMBL71226 | 211052 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 536 | 8 | 1 | 5 | 6.2 | CN(CC(CCN1CCC(n2c(O)nc3ccccc32)C1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 | 10.1016/s0960-894x(03)00343-3 | ||
| 44310238 | 210823 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 487 | 6 | 0 | 4 | 4.2 | O=C(c1ccccc1)N1CCC(CCN2CC(N3CCOCC3)C2)(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/s0960-894x(03)00343-3 | ||
| CHEMBL69889 | 210823 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 487 | 6 | 0 | 4 | 4.2 | O=C(c1ccccc1)N1CCC(CCN2CC(N3CCOCC3)C2)(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/s0960-894x(03)00343-3 | ||
| 44310165 | 210673 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 484 | 8 | 0 | 4 | 5.8 | CN(CC(CCN1CCC(n2ccnc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 | 10.1016/s0960-894x(03)00343-3 | ||
| CHEMBL68917 | 210673 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 484 | 8 | 0 | 4 | 5.8 | CN(CC(CCN1CCC(n2ccnc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 | 10.1016/s0960-894x(03)00343-3 | ||
| 10005190 | 211133 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 475 | 8 | 0 | 4 | 4.3 | CN(CC(CCN1CC(N2CCOCC2)C1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 | 10.1016/s0960-894x(03)00343-3 | ||
| CHEMBL71647 | 211133 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 475 | 8 | 0 | 4 | 4.3 | CN(CC(CCN1CC(N2CCOCC2)C1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 | 10.1016/s0960-894x(03)00343-3 | ||
| 44319323 | 20519 | 0 | None | - | 0 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 640 | 10 | 1 | 7 | 5.1 | COc1cc(C(=O)N2CC[C@](CCN3CCC(C(N)=O)(c4cccnc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC | 10.1016/S0960-894X(97)10013-0 | ||
| CHEMBL1195230 | 20519 | 0 | None | - | 0 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 640 | 10 | 1 | 7 | 5.1 | COc1cc(C(=O)N2CC[C@](CCN3CCC(C(N)=O)(c4cccnc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC | 10.1016/S0960-894X(97)10013-0 | ||
| CHEMBL554092 | 20519 | 0 | None | - | 0 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 640 | 10 | 1 | 7 | 5.1 | COc1cc(C(=O)N2CC[C@](CCN3CCC(C(N)=O)(c4cccnc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC | 10.1016/S0960-894X(97)10013-0 | ||
| 9807403 | 73458 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 542 | 8 | 0 | 5 | 2.9 | CS(=O)(=O)N1CCN(C2CN(CC[C@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CC4)C3)C2)CC1 | 10.1016/j.bmcl.2005.05.134 | ||
| CHEMBL185452 | 73458 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 542 | 8 | 0 | 5 | 2.9 | CS(=O)(=O)N1CCN(C2CN(CC[C@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CC4)C3)C2)CC1 | 10.1016/j.bmcl.2005.05.134 | ||
| 44392347 | 128906 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 543 | 7 | 0 | 4 | 5.1 | O=C1CC[C@](CCN2CC(N3CCOCC3)C2)(c2ccc(Cl)c(Cl)c2)CN1CC1CCC(F)(F)CC1 | 10.1016/j.bmcl.2005.05.134 | ||
| CHEMBL359655 | 128906 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 543 | 7 | 0 | 4 | 5.1 | O=C1CC[C@](CCN2CC(N3CCOCC3)C2)(c2ccc(Cl)c(Cl)c2)CN1CC1CCC(F)(F)CC1 | 10.1016/j.bmcl.2005.05.134 | ||
| 71449143 | 86295 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 611 | 5 | 2 | 3 | 6.7 | CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(=O)N[C@@H]2CCCCNC2=O)ccc1-c1ccc(Cl)cc1 | 10.1016/s0960-894x(02)00382-7 | ||
| CHEMBL2113740 | 86295 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 611 | 5 | 2 | 3 | 6.7 | CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(=O)N[C@@H]2CCCCNC2=O)ccc1-c1ccc(Cl)cc1 | 10.1016/s0960-894x(02)00382-7 | ||
| CHEMBL2371928 | 216933 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CC(C)CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC(=O)NC(=O)N1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2006.07.036 | ||||
| 25028925 | 98140 | 4 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 570 | 5 | 1 | 5 | 5.5 | Cc1ccccc1[C@@H]1[C@@H](O[C@H](CO)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]2CN(C3=NC(=O)CO3)C[C@H]21 | 10.1021/jm400751p | ||
| CHEMBL2402572 | 98140 | 4 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 570 | 5 | 1 | 5 | 5.5 | Cc1ccccc1[C@@H]1[C@@H](O[C@H](CO)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]2CN(C3=NC(=O)CO3)C[C@H]21 | 10.1021/jm400751p | ||
| CHEMBL2369630 | 216424 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)CN)C(=O)N[C@H]1CSSC[C@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm000316h | ||||
| 44212283 | 66633 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 593 | 9 | 1 | 4 | 5.6 | COc1ccccc1CC(=O)N1CCC(CCN2CCC(C(N)=O)(c3ccccc3)CC2)(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/0960-894X(96)00148-5 | ||
| CHEMBL172915 | 66633 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 593 | 9 | 1 | 4 | 5.6 | COc1ccccc1CC(=O)N1CCC(CCN2CCC(C(N)=O)(c3ccccc3)CC2)(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/0960-894X(96)00148-5 | ||
| 44319356 | 111148 | 0 | None | - | 0 | Mouse | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 607 | 10 | 1 | 6 | 4.7 | COc1cc(C(=O)N2CCC(CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(F)c(F)c3)C2)cc(OC)c1OC | 10.1016/S0960-894X(97)10013-0 | ||
| CHEMBL310173 | 111148 | 0 | None | - | 0 | Mouse | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 607 | 10 | 1 | 6 | 4.7 | COc1cc(C(=O)N2CCC(CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(F)c(F)c3)C2)cc(OC)c1OC | 10.1016/S0960-894X(97)10013-0 | ||
| 73265457 | 133229 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 653 | 4 | 0 | 4 | 4.5 | CN(C(=O)N(C)[C@@H]1CN(C(=O)N2CCN(S(C)(=O)=O)CC2)C[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 | nan | ||
| CHEMBL3651896 | 133229 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 653 | 4 | 0 | 4 | 4.5 | CN(C(=O)N(C)[C@@H]1CN(C(=O)N2CCN(S(C)(=O)=O)CC2)C[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 | nan | ||
| 10439730 | 113534 | 0 | None | - | 3 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 702 | 12 | 3 | 6 | 3.3 | CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O | 10.1021/jm00063a015 | ||
| CHEMBL3144353 | 113534 | 0 | None | - | 3 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 702 | 12 | 3 | 6 | 3.3 | CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O | 10.1021/jm00063a015 | ||
| 10972666 | 129724 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 465 | 7 | 0 | 4 | 3.7 | O=C1CC[C@](CCN2CC(N3CCOCC3)C2)(c2ccc(Cl)c(Cl)c2)CN1CC1CC1 | 10.1016/j.bmcl.2005.05.134 | ||
| CHEMBL360721 | 129724 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 465 | 7 | 0 | 4 | 3.7 | O=C1CC[C@](CCN2CC(N3CCOCC3)C2)(c2ccc(Cl)c(Cl)c2)CN1CC1CC1 | 10.1016/j.bmcl.2005.05.134 | ||
| 9915428 | 180412 | 3 | None | - | 0 | Golden hamster | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 546 | 15 | 4 | 4 | 5.1 | CC(C)[C@H](OC(=O)N[C@](C)(Cc1cccc(F)c1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 | 10.1016/0960-894X(95)00313-I | ||
| CHEMBL45340 | 180412 | 3 | None | - | 0 | Golden hamster | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 546 | 15 | 4 | 4 | 5.1 | CC(C)[C@H](OC(=O)N[C@](C)(Cc1cccc(F)c1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 | 10.1016/0960-894X(95)00313-I | ||
| 9915428 | 180412 | 3 | None | - | 0 | Golden hamster | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 546 | 15 | 4 | 4 | 5.1 | CC(C)[C@H](OC(=O)N[C@](C)(Cc1cccc(F)c1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 | 10.1021/jm950892r | ||
| CHEMBL45340 | 180412 | 3 | None | - | 0 | Golden hamster | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 546 | 15 | 4 | 4 | 5.1 | CC(C)[C@H](OC(=O)N[C@](C)(Cc1cccc(F)c1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 | 10.1021/jm950892r | ||
| 44310151 | 109555 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 534 | 8 | 0 | 4 | 6.9 | CN(CC(CCN1CCC(n2cnc3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 | 10.1016/s0960-894x(03)00343-3 | ||
| CHEMBL305236 | 109555 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 534 | 8 | 0 | 4 | 6.9 | CN(CC(CCN1CCC(n2cnc3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 | 10.1016/s0960-894x(03)00343-3 | ||
| 153996 | 119445 | 2 | None | -3 | 3 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 639 | 10 | 1 | 6 | 5.7 | COc1cc(C(=O)N2CC[C@](CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC | 10.1016/0960-894X(96)00148-5 | ||
| CHEMBL330366 | 119445 | 2 | None | -3 | 3 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 639 | 10 | 1 | 6 | 5.7 | COc1cc(C(=O)N2CC[C@](CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC | 10.1016/0960-894X(96)00148-5 | ||
| CHEMBL539021 | 119445 | 2 | None | -3 | 3 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 639 | 10 | 1 | 6 | 5.7 | COc1cc(C(=O)N2CC[C@](CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC | 10.1016/0960-894X(96)00148-5 | ||
| 153996 | 119445 | 2 | None | - | 3 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 639 | 10 | 1 | 6 | 5.7 | COc1cc(C(=O)N2CC[C@](CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC | 10.1016/S0960-894X(97)10013-0 | ||
| CHEMBL330366 | 119445 | 2 | None | - | 3 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 639 | 10 | 1 | 6 | 5.7 | COc1cc(C(=O)N2CC[C@](CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC | 10.1016/S0960-894X(97)10013-0 | ||
| CHEMBL539021 | 119445 | 2 | None | - | 3 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 639 | 10 | 1 | 6 | 5.7 | COc1cc(C(=O)N2CC[C@](CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC | 10.1016/S0960-894X(97)10013-0 | ||
| 44310139 | 211489 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 564 | 8 | 1 | 5 | 7.0 | CN(CC(CCN1CCCC(n2c(O)nc3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 | 10.1016/s0960-894x(03)00343-3 | ||
| CHEMBL74127 | 211489 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 564 | 8 | 1 | 5 | 7.0 | CN(CC(CCN1CCCC(n2c(O)nc3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 | 10.1016/s0960-894x(03)00343-3 | ||
| 9831309 | 142042 | 1 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 639 | 10 | 1 | 6 | 5.7 | COc1cc(C(=O)N2CC[C@@](CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC | 10.1021/jm058225d | ||
| CHEMBL372587 | 142042 | 1 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 639 | 10 | 1 | 6 | 5.7 | COc1cc(C(=O)N2CC[C@@](CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC | 10.1021/jm058225d | ||
| 21831101 | 210600 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 550 | 8 | 1 | 5 | 6.6 | CN(CC(CCN1CCC(n2c(O)nc3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 | 10.1016/s0960-894x(03)00343-3 | ||
| CHEMBL68440 | 210600 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 550 | 8 | 1 | 5 | 6.6 | CN(CC(CCN1CCC(n2c(O)nc3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 | 10.1016/s0960-894x(03)00343-3 | ||
| 18964186 | 211083 | 0 | None | - | 3 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 510 | 8 | 1 | 3 | 6.2 | CN(CC(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 | 10.1016/s0960-894x(03)00343-3 | ||
| CHEMBL71397 | 211083 | 0 | None | - | 3 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 510 | 8 | 1 | 3 | 6.2 | CN(CC(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 | 10.1016/s0960-894x(03)00343-3 | ||
| 9850582 | 204021 | 22 | None | -1 | 6 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(c2ccccc2)CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/s0960-894x(03)00343-3 | ||
| CHEMBL56835 | 204021 | 22 | None | -1 | 6 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(c2ccccc2)CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/s0960-894x(03)00343-3 | ||
| 21121353 | 108250 | 0 | None | - | 3 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 625 | 14 | 4 | 7 | 2.0 | CC(=O)N[C@H](C(=O)N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1)C(C)O | 10.1021/jm00063a015 | ||
| CHEMBL297776 | 108250 | 0 | None | - | 3 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 625 | 14 | 4 | 7 | 2.0 | CC(=O)N[C@H](C(=O)N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1)C(C)O | 10.1021/jm00063a015 | ||
| CHEMBL2369631 | 216425 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)CN)C(=O)N[C@H]1CSSC[C@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm000316h | ||||
| 2683 | 109665 | 25 | None | -398 | 16 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
| CHEMBL305906 | 109665 | 25 | None | -398 | 16 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
| CHEMBL334255 | 109665 | 25 | None | -398 | 16 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
| 579 | 9918 | 18 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.07.036 | ||||
| 6918468 | 9918 | 18 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.07.036 | ||||
| CHEMBL41547 | 9918 | 18 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.07.036 | ||||
| 10259606 | 124887 | 0 | None | - | 0 | Golden hamster | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 768 | 24 | 10 | 10 | -1.5 | CC(C)C[C@@H](CN[C@@H](Cc1ccccc1)C(N)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(=O)O)C(C)C | 10.1021/jm00099a024 | ||
| CHEMBL340743 | 124887 | 0 | None | - | 0 | Golden hamster | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 768 | 24 | 10 | 10 | -1.5 | CC(C)C[C@@H](CN[C@@H](Cc1ccccc1)C(N)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(=O)O)C(C)C | 10.1021/jm00099a024 | ||
| CHEMBL263852 | 217372 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(C)(C)C)C(N)=O | 10.1021/jm00037a009 | ||||
| CHEMBL2390989 | 217190 | 16 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(N)=O | 10.1016/j.ejmech.2013.01.044 | ||||
| 44319340 | 212692 | 0 | None | - | 0 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 707 | 10 | 0 | 6 | 7.2 | COc1cc(C(=O)N2CCC(CCN3CCC(C(=O)N4CCCCC4)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC | 10.1016/S0960-894X(97)10013-0 | ||
| CHEMBL84055 | 212692 | 0 | None | - | 0 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 707 | 10 | 0 | 6 | 7.2 | COc1cc(C(=O)N2CCC(CCN3CCC(C(=O)N4CCCCC4)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC | 10.1016/S0960-894X(97)10013-0 | ||
| 44312000 | 211458 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 551 | 8 | 3 | 3 | 4.6 | CC(=O)NC1(c2ccccc2)CCN(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N(C)Cc2ccccc2)CC1 | 10.1016/s0960-894x(98)00395-3 | ||
| CHEMBL73839 | 211458 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 551 | 8 | 3 | 3 | 4.6 | CC(=O)NC1(c2ccccc2)CCN(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N(C)Cc2ccccc2)CC1 | 10.1016/s0960-894x(98)00395-3 | ||
| CHEMBL265573 | 217433 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)/C(=C\c1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(N)=O | 10.1021/jm00037a009 | ||||
| 448537 | 167029 | 89 | None | -26 | 25 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | nan | ||
| CHEMBL411 | 167029 | 89 | None | -26 | 25 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | nan | ||
| 44384678 | 68145 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 697 | 11 | 1 | 8 | 6.2 | CCOC(=O)Oc1c(OC)cc(C(=O)N2CCC(CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc1OC | 10.1016/0960-894X(96)00148-5 | ||
| CHEMBL176860 | 68145 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 697 | 11 | 1 | 8 | 6.2 | CCOC(=O)Oc1c(OC)cc(C(=O)N2CCC(CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc1OC | 10.1016/0960-894X(96)00148-5 | ||
| 21121353 | 108250 | 0 | None | - | 3 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 625 | 14 | 4 | 7 | 2.0 | CC(=O)N[C@H](C(=O)N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1)C(C)O | 10.1021/jm00063a015 | ||
| CHEMBL297776 | 108250 | 0 | None | - | 3 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 625 | 14 | 4 | 7 | 2.0 | CC(=O)N[C@H](C(=O)N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1)C(C)O | 10.1021/jm00063a015 | ||
| 44270502 | 62027 | 0 | None | - | 1 | Rat | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | 714 | 6 | 8 | 7 | -0.3 | CC(C)C[C@@H]1NC(=O)[C@@H]2CNC(=O)C[C@H](NC(=O)[C@H](C)CNC1=O)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2 | 10.1016/s0960-894x(98)00178-4 | ||
| CHEMBL16180 | 62027 | 0 | None | - | 1 | Rat | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | 714 | 6 | 8 | 7 | -0.3 | CC(C)C[C@@H]1NC(=O)[C@@H]2CNC(=O)C[C@H](NC(=O)[C@H](C)CNC1=O)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2 | 10.1016/s0960-894x(98)00178-4 | ||
| 118718707 | 122158 | 0 | None | - | 1 | Rat | 6.0 | pKd | = | 6 | Binding | ChEMBL | 843 | 12 | 8 | 9 | 0.3 | CSCC[C@@H]1NC(=O)[C@H](CC(C)C)N2C=C[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC1=O)C2=O | 10.1021/jm00053a001 | ||
| CHEMBL3350012 | 122158 | 0 | None | - | 1 | Rat | 6.0 | pKd | = | 6 | Binding | ChEMBL | 843 | 12 | 8 | 9 | 0.3 | CSCC[C@@H]1NC(=O)[C@H](CC(C)C)N2C=C[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC1=O)C2=O | 10.1021/jm00053a001 | ||
| 118718415 | 122129 | 0 | None | -2 | 2 | Rat | 5.0 | pKd | = | 5 | Binding | ChEMBL | 820 | 12 | 8 | 10 | -0.5 | CSCC[C@@H]1NC(=O)[C@H](CC(C)C)N2C=C[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC1=O)C2=O | 10.1021/jm00053a001 | ||
| CHEMBL3349511 | 122129 | 0 | None | -2 | 2 | Rat | 5.0 | pKd | = | 5 | Binding | ChEMBL | 820 | 12 | 8 | 10 | -0.5 | CSCC[C@@H]1NC(=O)[C@H](CC(C)C)N2C=C[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC1=O)C2=O | 10.1021/jm00053a001 | ||
| 118718693 | 122154 | 0 | None | - | 1 | Rat | 5.0 | pKd | = | 5 | Binding | ChEMBL | 843 | 12 | 8 | 9 | 0.3 | CSCC[C@@H]1NC(=O)[C@H](CC(C)C)N2C=C[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC1=O)C2=O | 10.1021/jm00053a001 | ||
| CHEMBL3349994 | 122154 | 0 | None | - | 1 | Rat | 5.0 | pKd | = | 5 | Binding | ChEMBL | 843 | 12 | 8 | 9 | 0.3 | CSCC[C@@H]1NC(=O)[C@H](CC(C)C)N2C=C[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC1=O)C2=O | 10.1021/jm00053a001 | ||
| 118718709 | 122159 | 0 | None | - | 1 | Rat | 5.0 | pKd | = | 5 | Binding | ChEMBL | 726 | 8 | 5 | 7 | 2.5 | CSCC[C@@H]1NC(=O)[C@H](CC(C)C)N2C=C[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@](C)(c3cccc4ccccc34)NC(=O)CNC1=O)C2=O | 10.1021/jm00053a001 | ||
| CHEMBL3350016 | 122159 | 0 | None | - | 1 | Rat | 5.0 | pKd | = | 5 | Binding | ChEMBL | 726 | 8 | 5 | 7 | 2.5 | CSCC[C@@H]1NC(=O)[C@H](CC(C)C)N2C=C[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@](C)(c3cccc4ccccc34)NC(=O)CNC1=O)C2=O | 10.1021/jm00053a001 | ||
| 118718515 | 122138 | 0 | None | - | 1 | Rat | 4.9 | pKd | = | 4.9 | Binding | ChEMBL | 786 | 12 | 7 | 8 | 1.2 | CSCC[C@@H]1NC(=O)[C@H](CC(C)C)N2C=C[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCC(N)=O)NC1=O)C2=O | 10.1021/jm00053a001 | ||
| CHEMBL3349686 | 122138 | 0 | None | - | 1 | Rat | 4.9 | pKd | = | 4.9 | Binding | ChEMBL | 786 | 12 | 7 | 8 | 1.2 | CSCC[C@@H]1NC(=O)[C@H](CC(C)C)N2C=C[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCC(N)=O)NC1=O)C2=O | 10.1021/jm00053a001 | ||
| 118718571 | 122145 | 0 | None | - | 1 | Rat | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 747 | 12 | 6 | 8 | 0.7 | CSCC[C@@H]1NC(=O)[C@H](CC(C)C)N2C=C[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCC(N)=O)NC1=O)C2=O | 10.1021/jm00053a001 | ||
| CHEMBL3349799 | 122145 | 0 | None | - | 1 | Rat | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 747 | 12 | 6 | 8 | 0.7 | CSCC[C@@H]1NC(=O)[C@H](CC(C)C)N2C=C[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCC(N)=O)NC1=O)C2=O | 10.1021/jm00053a001 | ||
| CHEMBL3349619 | 218224 | 0 | None | - | 1 | Rat | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | None | None | None | CSCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm00053a001 | ||||
| 118718570 | 122144 | 0 | None | 63 | 2 | Rat | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 786 | 12 | 7 | 8 | 1.2 | CSCC[C@@H]1NC(=O)[C@H](CC(C)C)N2C=C[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCC(N)=O)NC1=O)C2=O | 10.1021/jm00053a001 | ||
| CHEMBL3349798 | 122144 | 0 | None | 63 | 2 | Rat | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 786 | 12 | 7 | 8 | 1.2 | CSCC[C@@H]1NC(=O)[C@H](CC(C)C)N2C=C[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCC(N)=O)NC1=O)C2=O | 10.1021/jm00053a001 | ||
| CHEMBL3349990 | 218243 | 0 | None | - | 1 | Rat | 4.7 | pKd | = | 4.7 | Binding | ChEMBL | None | None | None | CSCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm00053a001 | ||||
| 118718513 | 122137 | 0 | None | - | 1 | Rat | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 797 | 11 | 6 | 8 | 2.2 | CSCC[C@@H]1NC(=O)[C@H](CC(C)C)N2C=C[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@](C)(c3cccc4ccccc34)NC(=O)[C@H](CCC(N)=O)NC1=O)C2=O | 10.1021/jm00053a001 | ||
| CHEMBL3349683 | 122137 | 0 | None | - | 1 | Rat | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 797 | 11 | 6 | 8 | 2.2 | CSCC[C@@H]1NC(=O)[C@H](CC(C)C)N2C=C[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@](C)(c3cccc4ccccc34)NC(=O)[C@H](CCC(N)=O)NC1=O)C2=O | 10.1021/jm00053a001 | ||
| 118718694 | 122155 | 0 | None | - | 1 | Rat | 4.6 | pKd | = | 4.6 | Binding | ChEMBL | 804 | 12 | 7 | 9 | -0.2 | CSCC[C@@H]1NC(=O)[C@H](CC(C)C)N2C=C[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC1=O)C2=O | 10.1021/jm00053a001 | ||
| CHEMBL3349995 | 122155 | 0 | None | - | 1 | Rat | 4.6 | pKd | = | 4.6 | Binding | ChEMBL | 804 | 12 | 7 | 9 | -0.2 | CSCC[C@@H]1NC(=O)[C@H](CC(C)C)N2C=C[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC1=O)C2=O | 10.1021/jm00053a001 | ||
| 118718517 | 122140 | 0 | None | -1 | 3 | Rat | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 800 | 12 | 6 | 8 | 1.5 | CSCC[C@@H]1NC(=O)[C@H](CC(C)C)N2C=C[C@@H](NC(=O)[C@H](Cc3ccccc3)N(C)C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCC(N)=O)NC1=O)C2=O | 10.1021/jm00053a001 | ||
| CHEMBL3349688 | 122140 | 0 | None | -1 | 3 | Rat | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 800 | 12 | 6 | 8 | 1.5 | CSCC[C@@H]1NC(=O)[C@H](CC(C)C)N2C=C[C@@H](NC(=O)[C@H](Cc3ccccc3)N(C)C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCC(N)=O)NC1=O)C2=O | 10.1021/jm00053a001 | ||
| 44270503 | 105554 | 0 | None | - | 1 | Rat | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 908 | 10 | 12 | 13 | -2.8 | CC(C)C[C@@H]1NC(=O)[C@@H]2CNC(=O)C[C@H](NC(=O)[C@H](CSCC3O[C@@H](O)C(O)[C@H](O)[C@H]3O)CNC1=O)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2 | 10.1016/s0960-894x(98)00178-4 | ||
| CHEMBL278223 | 105554 | 0 | None | - | 1 | Rat | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 908 | 10 | 12 | 13 | -2.8 | CC(C)C[C@@H]1NC(=O)[C@@H]2CNC(=O)C[C@H](NC(=O)[C@H](CSCC3O[C@@H](O)C(O)[C@H](O)[C@H]3O)CNC1=O)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2 | 10.1016/s0960-894x(98)00178-4 | ||
| CHEMBL334721 | 218178 | 1 | None | -9 | 3 | Rat | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | None | None | None | CSCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CNC(=O)C[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2 | 10.1016/s0960-894x(98)00178-4 | ||||
| CHEMBL3349531 | 218204 | 0 | None | - | 1 | Rat | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | None | None | None | CSCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm00053a001 | ||||
| CHEMBL3349620 | 218225 | 11 | None | 251 | 3 | Rat | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | None | None | None | CSCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm00053a001 | ||||
| 118718516 | 122139 | 0 | None | -79 | 3 | Rat | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 1599 | 27 | 12 | 16 | 2.8 | CC(C)C[C@H]1C(=O)N[C@@H](CCSCCSCC[C@@H]2NC(=O)[C@H](CC(C)C)N3C=C[C@@H](NC(=O)[C@H](Cc4ccccc4)N(C)C(=O)[C@@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCC(N)=O)NC2=O)C3=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H]2C=CN1C2=O | 10.1021/jm00053a001 | ||
| CHEMBL3349687 | 122139 | 0 | None | -79 | 3 | Rat | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 1599 | 27 | 12 | 16 | 2.8 | CC(C)C[C@H]1C(=O)N[C@@H](CCSCCSCC[C@@H]2NC(=O)[C@H](CC(C)C)N3C=C[C@@H](NC(=O)[C@H](Cc4ccccc4)N(C)C(=O)[C@@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCC(N)=O)NC2=O)C3=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H]2C=CN1C2=O | 10.1021/jm00053a001 | ||
| 9831504 | 91811 | 0 | None | - | 1 | Human | 10.6 | pKi | = | 10.6 | Binding | ChEMBL | 696 | 8 | 6 | 6 | 2.0 | O=C1C[C@@H](NC2CC[S+]([O-])CC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm040832y | ||
| CHEMBL224081 | 91811 | 0 | None | - | 1 | Human | 10.6 | pKi | = | 10.6 | Binding | ChEMBL | 696 | 8 | 6 | 6 | 2.0 | O=C1C[C@@H](NC2CC[S+]([O-])CC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm040832y | ||
| 71449111 | 85670 | 0 | None | 6 | 2 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 759 | 8 | 5 | 6 | 3.3 | O=C1CC(C(=O)N2CCC(N3CCCCC3)CC2)C(=O)NC[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1016/s0960-894x(01)00841-1 | ||
| CHEMBL2112922 | 85670 | 0 | None | 6 | 2 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 759 | 8 | 5 | 6 | 3.3 | O=C1CC(C(=O)N2CCC(N3CCCCC3)CC2)C(=O)NC[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1016/s0960-894x(01)00841-1 | ||
| 44421489 | 175507 | 0 | None | - | 1 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 742 | 9 | 7 | 7 | 0.8 | NS(=O)(=O)N1CCC(N[C@@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)CC1 | 10.1021/jm040832y | ||
| CHEMBL436981 | 175507 | 0 | None | - | 1 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 742 | 9 | 7 | 7 | 0.8 | NS(=O)(=O)N1CCC(N[C@@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)CC1 | 10.1021/jm040832y | ||
| 11433617 | 13543 | 0 | None | - | 1 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 630 | 12 | 2 | 6 | 5.8 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(CC5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| CHEMBL1083850 | 13543 | 0 | None | - | 1 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 630 | 12 | 2 | 6 | 5.8 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(CC5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| 23625329 | 99594 | 0 | None | - | 1 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 664 | 11 | 3 | 6 | 5.6 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCC2CCN(CC3CCOCC3)CC2)CCCC1)c1cc2ccc(Cl)cc2s1 | 10.1021/jm070289w | ||
| CHEMBL243711 | 99594 | 0 | None | - | 1 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 664 | 11 | 3 | 6 | 5.6 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCC2CCN(CC3CCOCC3)CC2)CCCC1)c1cc2ccc(Cl)cc2s1 | 10.1021/jm070289w | ||
| 11593070 | 99944 | 0 | None | - | 1 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 708 | 11 | 3 | 6 | 5.7 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCC2CCN(CC3CCOCC3)CC2)CCCC1)c1cc2ccc(Br)cc2s1 | 10.1021/jm070289w | ||
| CHEMBL244362 | 99944 | 0 | None | - | 1 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 708 | 11 | 3 | 6 | 5.7 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCC2CCN(CC3CCOCC3)CC2)CCCC1)c1cc2ccc(Br)cc2s1 | 10.1021/jm070289w | ||
| 23627059 | 157955 | 0 | None | - | 1 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 698 | 11 | 3 | 6 | 5.9 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCC2CCN(CC3CCOCC3)CC2)CCCC1)c1cc2ccc(C(F)(F)F)cc2s1 | 10.1021/jm070289w | ||
| CHEMBL395972 | 157955 | 0 | None | - | 1 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 698 | 11 | 3 | 6 | 5.9 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCC2CCN(CC3CCOCC3)CC2)CCCC1)c1cc2ccc(C(F)(F)F)cc2s1 | 10.1021/jm070289w | ||
| 11366268 | 148783 | 0 | None | - | 1 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 664 | 8 | 6 | 6 | 2.3 | O=C1C[C@@H](NC2CCOCC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm040832y | ||
| CHEMBL387506 | 148783 | 0 | None | - | 1 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 664 | 8 | 6 | 6 | 2.3 | O=C1C[C@@H](NC2CCOCC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm040832y | ||
| 44421488 | 175789 | 0 | None | - | 1 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 741 | 9 | 6 | 7 | 1.6 | CS(=O)(=O)N1CCC(N[C@@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)CC1 | 10.1021/jm040832y | ||
| CHEMBL439281 | 175789 | 0 | None | - | 1 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 741 | 9 | 6 | 7 | 1.6 | CS(=O)(=O)N1CCC(N[C@@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)CC1 | 10.1021/jm040832y | ||
| 11527495 | 8749 | 19 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 644 | 11 | 3 | 6 | 5.2 | O=C([C@H](NC(=O)C1(CCCC1)NC(=O)c1cc2c(s1)cc(cc2)C)Cc1ccccc1)NCC1CCN(CC1)CC1CCOCC1 | 10.1021/jm070289w | ||
| 2117 | 8749 | 19 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 644 | 11 | 3 | 6 | 5.2 | O=C([C@H](NC(=O)C1(CCCC1)NC(=O)c1cc2c(s1)cc(cc2)C)Cc1ccccc1)NCC1CCN(CC1)CC1CCOCC1 | 10.1021/jm070289w | ||
| CHEMBL266125 | 8749 | 19 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 644 | 11 | 3 | 6 | 5.2 | O=C([C@H](NC(=O)C1(CCCC1)NC(=O)c1cc2c(s1)cc(cc2)C)Cc1ccccc1)NCC1CCN(CC1)CC1CCOCC1 | 10.1021/jm070289w | ||
| DB12042 | 8749 | 19 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 644 | 11 | 3 | 6 | 5.2 | O=C([C@H](NC(=O)C1(CCCC1)NC(=O)c1cc2c(s1)cc(cc2)C)Cc1ccccc1)NCC1CCN(CC1)CC1CCOCC1 | 10.1021/jm070289w | ||
| 46889641 | 13551 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 602 | 10 | 2 | 6 | 5.2 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCN4CCN(C5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| CHEMBL1083858 | 13551 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 602 | 10 | 2 | 6 | 5.2 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCN4CCN(C5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| 46237033 | 20970 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 359 | 7 | 1 | 4 | 1.9 | N[C@@H](CCC(=O)N1CCN(CC2CCOCC2)CC1)Cc1ccccc1 | 10.1021/jm100176s | ||
| CHEMBL1083974 | 20970 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 359 | 7 | 1 | 4 | 1.9 | N[C@@H](CCC(=O)N1CCN(CC2CCOCC2)CC1)Cc1ccccc1 | 10.1021/jm100176s | ||
| CHEMBL1198853 | 20970 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 359 | 7 | 1 | 4 | 1.9 | N[C@@H](CCC(=O)N1CCN(CC2CCOCC2)CC1)Cc1ccccc1 | 10.1021/jm100176s | ||
| 23627061 | 157960 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 701 | 14 | 3 | 7 | 5.8 | CCN(CC)c1ccc2cc(C(=O)NC3(C(=O)N[C@H](Cc4ccccc4)C(=O)NCC4CCN(CC5CCOCC5)CC4)CCCC3)sc2c1 | 10.1021/jm070289w | ||
| CHEMBL395974 | 157960 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 701 | 14 | 3 | 7 | 5.8 | CCN(CC)c1ccc2cc(C(=O)NC3(C(=O)N[C@H](Cc4ccccc4)C(=O)NCC4CCN(CC5CCOCC5)CC4)CCCC3)sc2c1 | 10.1021/jm070289w | ||
| 2115 | 8628 | 19 | None | 8 | 3 | Rat | 10.0 | pKi | = | 10 | Binding | ChEMBL | 414 | 7 | 1 | 3 | 4.1 | COC1(CCN(CC1)CCc1c[nH]c2c1cc(F)cc2)C[S@@](=O)c1ccccc1 | 10.1016/S0960-894X(01)80541-2 | ||
| 9953599 | 8628 | 19 | None | 8 | 3 | Rat | 10.0 | pKi | = | 10 | Binding | ChEMBL | 414 | 7 | 1 | 3 | 4.1 | COC1(CCN(CC1)CCc1c[nH]c2c1cc(F)cc2)C[S@@](=O)c1ccccc1 | 10.1016/S0960-894X(01)80541-2 | ||
| CHEMBL2110370 | 8628 | 19 | None | 8 | 3 | Rat | 10.0 | pKi | = | 10 | Binding | ChEMBL | 414 | 7 | 1 | 3 | 4.1 | COC1(CCN(CC1)CCc1c[nH]c2c1cc(F)cc2)C[S@@](=O)c1ccccc1 | 10.1016/S0960-894X(01)80541-2 | ||
| 10508281 | 91558 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 633 | 6 | 5 | 4 | 3.9 | O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccc(Cl)c(Cl)c2)CN1 | 10.1021/jm0010217 | ||
| CHEMBL223221 | 91558 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 633 | 6 | 5 | 4 | 3.9 | O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccc(Cl)c(Cl)c2)CN1 | 10.1021/jm0010217 | ||
| 10508281 | 91558 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 633 | 6 | 5 | 4 | 3.9 | O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccc(Cl)c(Cl)c2)CN1 | 10.1021/jm040832y | ||
| CHEMBL223221 | 91558 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 633 | 6 | 5 | 4 | 3.9 | O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccc(Cl)c(Cl)c2)CN1 | 10.1021/jm040832y | ||
| 11239751 | 91946 | 0 | None | 1995 | 3 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 785 | 10 | 7 | 8 | -0.5 | NS(=O)(=O)N1CCN(CC(=O)N[C@@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)CC1 | 10.1021/jm040832y | ||
| CHEMBL225297 | 91946 | 0 | None | 1995 | 3 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 785 | 10 | 7 | 8 | -0.5 | NS(=O)(=O)N1CCN(CC(=O)N[C@@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)CC1 | 10.1021/jm040832y | ||
| 11193639 | 149834 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 680 | 8 | 6 | 6 | 3.0 | O=C1C[C@@H](NC2CCSCC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm040832y | ||
| CHEMBL389510 | 149834 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 680 | 8 | 6 | 6 | 3.0 | O=C1C[C@@H](NC2CCSCC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm040832y | ||
| 11445137 | 13572 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 644 | 11 | 2 | 6 | 5.3 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(C(=O)C5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| CHEMBL1083879 | 13572 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 644 | 11 | 2 | 6 | 5.3 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(C(=O)C5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| 10508281 | 91558 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 633 | 6 | 5 | 4 | 3.9 | O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccc(Cl)c(Cl)c2)CN1 | 10.1021/jm011127h | ||
| CHEMBL223221 | 91558 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 633 | 6 | 5 | 4 | 3.9 | O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccc(Cl)c(Cl)c2)CN1 | 10.1021/jm011127h | ||
| 10122346 | 99008 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 652 | 11 | 3 | 7 | 3.9 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)CCCC1)c1cc2ccccc2s1 | 10.1021/jm070289w | ||
| CHEMBL242626 | 99008 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 652 | 11 | 3 | 7 | 3.9 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)CCCC1)c1cc2ccccc2s1 | 10.1021/jm070289w | ||
| 71452717 | 85673 | 0 | None | 5 | 2 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 678 | 7 | 5 | 6 | 1.6 | O=C1CC(C(=O)N2CCOCC2)C(=O)NC[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1016/s0960-894x(01)00841-1 | ||
| CHEMBL2112925 | 85673 | 0 | None | 5 | 2 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 678 | 7 | 5 | 6 | 1.6 | O=C1CC(C(=O)N2CCOCC2)C(=O)NC[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1016/s0960-894x(01)00841-1 | ||
| 11388737 | 91803 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 691 | 7 | 5 | 6 | 1.7 | CC(=O)N1CCN([C@@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)CC1 | 10.1021/jm040832y | ||
| CHEMBL224003 | 91803 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 691 | 7 | 5 | 6 | 1.7 | CC(=O)N1CCN([C@@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)CC1 | 10.1021/jm040832y | ||
| 11764349 | 91841 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 721 | 9 | 7 | 7 | 1.1 | O=C1C[C@@H](NC(=O)CN2CCC(O)CC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm040832y | ||
| CHEMBL224374 | 91841 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 721 | 9 | 7 | 7 | 1.1 | O=C1C[C@@H](NC(=O)CN2CCC(O)CC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm040832y | ||
| 46236920 | 13556 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 629 | 12 | 2 | 5 | 7.3 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCC4CCN(CC5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| CHEMBL1083863 | 13556 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 629 | 12 | 2 | 5 | 7.3 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCC4CCN(CC5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| 46237170 | 13562 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 640 | 12 | 2 | 5 | 6.7 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(Cc5ccc(F)cc5)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| CHEMBL1083869 | 13562 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 640 | 12 | 2 | 5 | 6.7 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(Cc5ccc(F)cc5)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| 23626110 | 156485 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 640 | 12 | 4 | 7 | 2.0 | NS(=O)(=O)N1CCN(CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(NC(=O)c3cc4ccccc4s3)CCCC2)CC1 | 10.1021/jm070289w | ||
| CHEMBL394780 | 156485 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 640 | 12 | 4 | 7 | 2.0 | NS(=O)(=O)N1CCN(CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(NC(=O)c3cc4ccccc4s3)CCCC2)CC1 | 10.1021/jm070289w | ||
| 23627060 | 157957 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 660 | 12 | 3 | 7 | 4.9 | COc1ccc2cc(C(=O)NC3(C(=O)N[C@H](Cc4ccccc4)C(=O)NCC4CCN(CC5CCOCC5)CC4)CCCC3)sc2c1 | 10.1021/jm070289w | ||
| CHEMBL395973 | 157957 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 660 | 12 | 3 | 7 | 4.9 | COc1ccc2cc(C(=O)NC3(C(=O)N[C@H](Cc4ccccc4)C(=O)NCC4CCN(CC5CCOCC5)CC4)CCCC3)sc2c1 | 10.1021/jm070289w | ||
| 44302816 | 207144 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 903 | 20 | 7 | 8 | 2.4 | CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccccc1)C(N)=O | 10.1021/jm00039a012 | ||
| CHEMBL59780 | 207144 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 903 | 20 | 7 | 8 | 2.4 | CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccccc1)C(N)=O | 10.1021/jm00039a012 | ||
| 5487475 | 96168 | 29 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 903 | 20 | 7 | 8 | 2.4 | CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccccc1)C(N)=O | 10.1021/jm401823z | ||
| CHEMBL2370064 | 96168 | 29 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 903 | 20 | 7 | 8 | 2.4 | CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccccc1)C(N)=O | 10.1021/jm401823z | ||
| 9853827 | 91996 | 0 | None | 794 | 3 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 790 | 10 | 6 | 8 | 1.5 | O=C1C[C@@H](NC(=O)CN2CCC(N3CCOCC3)CC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm040832y | ||
| CHEMBL225588 | 91996 | 0 | None | 794 | 3 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 790 | 10 | 6 | 8 | 1.5 | O=C1C[C@@H](NC(=O)CN2CCC(N3CCOCC3)CC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm040832y | ||
| 11216552 | 103737 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 678 | 8 | 5 | 6 | 2.7 | CN(C1CCOCC1)[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O | 10.1021/jm040832y | ||
| CHEMBL266284 | 103737 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 678 | 8 | 5 | 6 | 2.7 | CN(C1CCOCC1)[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O | 10.1021/jm040832y | ||
| 10326920 | 149777 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 650 | 7 | 5 | 6 | 1.9 | O=C1C[C@@H](N2CCOCC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm040832y | ||
| CHEMBL389459 | 149777 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 650 | 7 | 5 | 6 | 1.9 | O=C1C[C@@H](N2CCOCC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm040832y | ||
| 11411829 | 149835 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 712 | 8 | 6 | 7 | 1.7 | O=C1C[C@@H](NC2CCS(=O)(=O)CC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm040832y | ||
| CHEMBL389511 | 149835 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 712 | 8 | 6 | 7 | 1.7 | O=C1C[C@@H](NC2CCS(=O)(=O)CC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm040832y | ||
| 11228042 | 168515 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 648 | 6 | 6 | 5 | 2.8 | N[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccc(Cl)c(Cl)c2)CNC1=O | 10.1021/jm040832y | ||
| CHEMBL413715 | 168515 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 648 | 6 | 6 | 5 | 2.8 | N[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccc(Cl)c(Cl)c2)CNC1=O | 10.1021/jm040832y | ||
| 46237171 | 13563 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 623 | 12 | 2 | 6 | 6.0 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(Cc5ccccn5)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| CHEMBL1083870 | 13563 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 623 | 12 | 2 | 6 | 6.0 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(Cc5ccccn5)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| 46237301 | 13566 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 628 | 12 | 2 | 6 | 6.6 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(Cc5cccs5)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| CHEMBL1083873 | 13566 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 628 | 12 | 2 | 6 | 6.6 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(Cc5cccs5)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| 46237302 | 13567 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 628 | 12 | 2 | 6 | 6.6 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(Cc5ccsc5)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| CHEMBL1083874 | 13567 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 628 | 12 | 2 | 6 | 6.6 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(Cc5ccsc5)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| 46237445 | 13568 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 612 | 12 | 2 | 6 | 6.2 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(Cc5ccoc5)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| CHEMBL1083875 | 13568 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 612 | 12 | 2 | 6 | 6.2 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(Cc5ccoc5)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| 10326920 | 149777 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 650 | 7 | 5 | 6 | 1.9 | O=C1C[C@@H](N2CCOCC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm011127h | ||
| CHEMBL389459 | 149777 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 650 | 7 | 5 | 6 | 1.9 | O=C1C[C@@H](N2CCOCC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm011127h | ||
| 11205343 | 91805 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 731 | 8 | 5 | 6 | 3.5 | O=C1C[C@@H](N2CCC(N3CCCCC3)CC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm040832y | ||
| CHEMBL224009 | 91805 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 731 | 8 | 5 | 6 | 3.5 | O=C1C[C@@H](N2CCC(N3CCCCC3)CC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm040832y | ||
| 11285709 | 91961 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 648 | 6 | 6 | 5 | 2.8 | N[C@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccc(Cl)c(Cl)c2)CNC1=O | 10.1021/jm040832y | ||
| CHEMBL225392 | 91961 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 648 | 6 | 6 | 5 | 2.8 | N[C@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccc(Cl)c(Cl)c2)CNC1=O | 10.1021/jm040832y | ||
| 44421490 | 149119 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 677 | 8 | 6 | 6 | 2.2 | CN1CCC(N[C@@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)CC1 | 10.1021/jm040832y | ||
| CHEMBL388626 | 149119 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 677 | 8 | 6 | 6 | 2.2 | CN1CCC(N[C@@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)CC1 | 10.1021/jm040832y | ||
| 11228450 | 149564 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 733 | 8 | 5 | 7 | 2.3 | O=C1C[C@@H](N2CCC(N3CCOCC3)CC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm040832y | ||
| CHEMBL389279 | 149564 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 733 | 8 | 5 | 7 | 2.3 | O=C1C[C@@H](N2CCC(N3CCOCC3)CC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm040832y | ||
| 9831546 | 211954 | 0 | None | 1 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 698 | 12 | 1 | 6 | 5.6 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(CC(N)=O)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00462-6 | ||
| CHEMBL78284 | 211954 | 0 | None | 1 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 698 | 12 | 1 | 6 | 5.6 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(CC(N)=O)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00462-6 | ||
| 44307820 | 210414 | 0 | None | 1 | 2 | Guinea pig | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 725 | 12 | 0 | 6 | 6.7 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCC(CC(=O)N(C)C)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| CHEMBL67171 | 210414 | 0 | None | 1 | 2 | Guinea pig | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 725 | 12 | 0 | 6 | 6.7 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCC(CC(=O)N(C)C)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| 23626743 | 99349 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 630 | 11 | 3 | 6 | 4.9 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCC2CCN(CC3CCOCC3)CC2)CCCC1)c1cc2ccccc2s1 | 10.1021/jm070289w | ||
| CHEMBL243496 | 99349 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 630 | 11 | 3 | 6 | 4.9 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCC2CCN(CC3CCOCC3)CC2)CCCC1)c1cc2ccccc2s1 | 10.1021/jm070289w | ||
| 53318867 | 65257 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 639 | 12 | 3 | 6 | 4.5 | O=C(NC1(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC2CCN(CC3CCOCC3)CC2)CCCC1)c1ccc(-n2cccc2)cc1 | 10.1016/j.bmcl.2011.01.074 | ||
| CHEMBL1683146 | 65257 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 639 | 12 | 3 | 6 | 4.5 | O=C(NC1(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC2CCN(CC3CCOCC3)CC2)CCCC1)c1ccc(-n2cccc2)cc1 | 10.1016/j.bmcl.2011.01.074 | ||
| 23627058 | 157953 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 648 | 11 | 3 | 6 | 5.1 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCC2CCN(CC3CCOCC3)CC2)CCCC1)c1cc2ccc(F)cc2s1 | 10.1021/jm070289w | ||
| CHEMBL395971 | 157953 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 648 | 11 | 3 | 6 | 5.1 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCC2CCN(CC3CCOCC3)CC2)CCCC1)c1cc2ccc(F)cc2s1 | 10.1021/jm070289w | ||
| 11205157 | 91851 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 718 | 7 | 5 | 6 | 3.2 | O=C1C[C@@H](N2CCOCC2)C(=O)NC[C@@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm040832y | ||
| CHEMBL224494 | 91851 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 718 | 7 | 5 | 6 | 3.2 | O=C1C[C@@H](N2CCOCC2)C(=O)NC[C@@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm040832y | ||
| 11491634 | 178324 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 822 | 10 | 6 | 8 | 1.2 | O=C1C[C@@H](NC(=O)CN2CCC(N3CC[S+]([O-])CC3)CC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm040832y | ||
| CHEMBL446450 | 178324 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 822 | 10 | 6 | 8 | 1.2 | O=C1C[C@@H](NC(=O)CN2CCC(N3CC[S+]([O-])CC3)CC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm040832y | ||
| 46238093 | 13539 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 634 | 12 | 2 | 6 | 5.7 | O=C(NC1(C(=O)N[C@@H](CCCN2CCN(CC3CCOCC3)CC2)Cc2ccccc2)CCCC1)c1cc2cc(Cl)ccc2o1 | 10.1021/jm100176s | ||
| CHEMBL1083846 | 13539 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 634 | 12 | 2 | 6 | 5.7 | O=C(NC1(C(=O)N[C@@H](CCCN2CCN(CC3CCOCC3)CC2)Cc2ccccc2)CCCC1)c1cc2cc(Cl)ccc2o1 | 10.1021/jm100176s | ||
| 46236387 | 13542 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 616 | 12 | 2 | 6 | 5.5 | O=C(NC1(C(=O)N[C@@H](CCCN2CCN(CC3CCOCC3)CC2)Cc2ccccc2)CCCC1)c1cc2ccccc2s1 | 10.1021/jm100176s | ||
| CHEMBL1083849 | 13542 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 616 | 12 | 2 | 6 | 5.5 | O=C(NC1(C(=O)N[C@@H](CCCN2CCN(CC3CCOCC3)CC2)Cc2ccccc2)CCCC1)c1cc2ccccc2s1 | 10.1021/jm100176s | ||
| 46237038 | 13559 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 616 | 11 | 2 | 6 | 5.6 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(C5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| CHEMBL1083866 | 13559 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 616 | 11 | 2 | 6 | 5.6 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(C5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| 46237300 | 13565 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 623 | 12 | 2 | 6 | 6.0 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(Cc5ccncc5)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| CHEMBL1083872 | 13565 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 623 | 12 | 2 | 6 | 6.0 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(Cc5ccncc5)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| 10232332 | 99975 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 596 | 11 | 3 | 6 | 4.2 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1cc2ccc(Cl)cc2s1 | 10.1021/jm070289w | ||
| CHEMBL244566 | 99975 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 596 | 11 | 3 | 6 | 4.2 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1cc2ccc(Cl)cc2s1 | 10.1021/jm070289w | ||
| 44307819 | 109373 | 0 | None | -1 | 2 | Guinea pig | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 725 | 12 | 0 | 6 | 6.7 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@@H](CCN1CCC(N2CCCC(CC(=O)N(C)C)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| CHEMBL304106 | 109373 | 0 | None | -1 | 2 | Guinea pig | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 725 | 12 | 0 | 6 | 6.7 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@@H](CCN1CCC(N2CCCC(CC(=O)N(C)C)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| 44307677 | 176043 | 0 | None | 1 | 2 | Guinea pig | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 697 | 12 | 1 | 6 | 6.1 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCC(CC(N)=O)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| CHEMBL441252 | 176043 | 0 | None | 1 | 2 | Guinea pig | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 697 | 12 | 1 | 6 | 6.1 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCC(CC(N)=O)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| 44307757 | 210315 | 0 | None | -1 | 2 | Guinea pig | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 753 | 12 | 1 | 7 | 5.8 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCC(CC(=O)N3CC(O)C3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| CHEMBL66441 | 210315 | 0 | None | -1 | 2 | Guinea pig | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 753 | 12 | 1 | 7 | 5.8 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCC(CC(=O)N3CC(O)C3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| 44307758 | 210335 | 0 | None | -1 | 2 | Guinea pig | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 697 | 12 | 1 | 6 | 6.1 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@@H](CCN1CCC(N2CCCC(CC(N)=O)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| CHEMBL66635 | 210335 | 0 | None | -1 | 2 | Guinea pig | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 697 | 12 | 1 | 6 | 6.1 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@@H](CCN1CCC(N2CCCC(CC(N)=O)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| 44383850 | 66712 | 0 | None | - | 1 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 552 | 9 | 0 | 4 | 6.8 | CC(=O)OC1(c2ccccc2)CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/S0960-894X(00)80694-0 | ||
| CHEMBL173203 | 66712 | 0 | None | - | 1 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 552 | 9 | 0 | 4 | 6.8 | CC(=O)OC1(c2ccccc2)CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/S0960-894X(00)80694-0 | ||
| 44385292 | 138166 | 0 | None | - | 1 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 572 | 10 | 0 | 5 | 7.2 | CCN(CC(CCN1CCC(OC(C)=O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cccs1 | 10.1016/S0960-894X(00)80694-0 | ||
| CHEMBL368995 | 138166 | 0 | None | - | 1 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 572 | 10 | 0 | 5 | 7.2 | CCN(CC(CCN1CCC(OC(C)=O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cccs1 | 10.1016/S0960-894X(00)80694-0 | ||
| 2115 | 8628 | 19 | None | -8 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 414 | 7 | 1 | 3 | 4.1 | COC1(CCN(CC1)CCc1c[nH]c2c1cc(F)cc2)C[S@@](=O)c1ccccc1 | 10.1016/S0960-894X(01)80541-2 | ||
| 9953599 | 8628 | 19 | None | -8 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 414 | 7 | 1 | 3 | 4.1 | COC1(CCN(CC1)CCc1c[nH]c2c1cc(F)cc2)C[S@@](=O)c1ccccc1 | 10.1016/S0960-894X(01)80541-2 | ||
| CHEMBL2110370 | 8628 | 19 | None | -8 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 414 | 7 | 1 | 3 | 4.1 | COC1(CCN(CC1)CCc1c[nH]c2c1cc(F)cc2)C[S@@](=O)c1ccccc1 | 10.1016/S0960-894X(01)80541-2 | ||
| 44301859 | 206591 | 0 | None | 35481 | 2 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 400 | 6 | 2 | 3 | 3.5 | [O-][S@+](CC1(O)CCN(CCc2c[nH]c3ccc(F)cc23)CC1)c1ccccc1 | 10.1016/S0960-894X(01)80541-2 | ||
| CHEMBL59413 | 206591 | 0 | None | 35481 | 2 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 400 | 6 | 2 | 3 | 3.5 | [O-][S@+](CC1(O)CCN(CCc2c[nH]c3ccc(F)cc23)CC1)c1ccccc1 | 10.1016/S0960-894X(01)80541-2 | ||
| 44577911 | 179032 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 664 | 12 | 3 | 5 | 5.7 | Cc1ccc(-c2ccc(C(=O)NC3(C(=O)N[C@H](Cc4ccccc4)C(=O)NCC4CCN(CC5CCOCC5)CC4)CCCC3)cc2)cc1 | 10.1016/j.bmcl.2008.06.102 | ||
| CHEMBL447439 | 179032 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 664 | 12 | 3 | 5 | 5.7 | Cc1ccc(-c2ccc(C(=O)NC3(C(=O)N[C@H](Cc4ccccc4)C(=O)NCC4CCN(CC5CCOCC5)CC4)CCCC3)cc2)cc1 | 10.1016/j.bmcl.2008.06.102 | ||
| 25071640 | 181178 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 634 | 12 | 3 | 5 | 4.8 | O=C(/C=C/c1cccc(Cl)c1)NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCC2CCN(CC3CCOCC3)CC2)CCCC1 | 10.1016/j.bmcl.2008.06.102 | ||
| CHEMBL455238 | 181178 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 634 | 12 | 3 | 5 | 4.8 | O=C(/C=C/c1cccc(Cl)c1)NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCC2CCN(CC3CCOCC3)CC2)CCCC1 | 10.1016/j.bmcl.2008.06.102 | ||
| 71449111 | 85670 | 0 | None | 6 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 759 | 8 | 5 | 6 | 3.3 | O=C1CC(C(=O)N2CCC(N3CCCCC3)CC2)C(=O)NC[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1016/s0960-894x(01)00841-1 | ||
| CHEMBL2112922 | 85670 | 0 | None | 6 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 759 | 8 | 5 | 6 | 3.3 | O=C1CC(C(=O)N2CCC(N3CCCCC3)CC2)C(=O)NC[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1016/s0960-894x(01)00841-1 | ||
| 11193706 | 17287 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 707 | 9 | 6 | 7 | 1.0 | O=C1C[C@@H](NC(=O)CN2CCOCC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm040832y | ||
| CHEMBL116812 | 17287 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 707 | 9 | 6 | 7 | 1.0 | O=C1C[C@@H](NC(=O)CN2CCOCC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm040832y | ||
| 11251435 | 91846 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 721 | 10 | 7 | 7 | 1.1 | O=C1C[C@@H](NC(=O)CN2CCC[C@H]2CO)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm040832y | ||
| CHEMBL224426 | 91846 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 721 | 10 | 7 | 7 | 1.1 | O=C1C[C@@H](NC(=O)CN2CCC[C@H]2CO)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm040832y | ||
| 11400251 | 150638 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 739 | 9 | 6 | 7 | 0.7 | O=C1C[C@@H](NC(=O)CN2CC[S+]([O-])CC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm040832y | ||
| CHEMBL390168 | 150638 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 739 | 9 | 6 | 7 | 0.7 | O=C1C[C@@H](NC(=O)CN2CC[S+]([O-])CC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm040832y | ||
| 46237960 | 13465 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 610 | 12 | 2 | 5 | 5.4 | O=C(NC1(C(=O)N[C@@H](CCCN2CCN(CC3CCOCC3)CC2)Cc2ccccc2)CCCC1)c1ccc2ccccc2c1 | 10.1021/jm100176s | ||
| CHEMBL1083561 | 13465 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 610 | 12 | 2 | 5 | 5.4 | O=C(NC1(C(=O)N[C@@H](CCCN2CCN(CC3CCOCC3)CC2)Cc2ccccc2)CCCC1)c1ccc2ccccc2c1 | 10.1021/jm100176s | ||
| 46889640 | 13548 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 630 | 11 | 2 | 6 | 5.9 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCN4CCC(N(C)C5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| CHEMBL1083855 | 13548 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 630 | 11 | 2 | 6 | 5.9 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCN4CCC(N(C)C5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| 46237299 | 13564 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 623 | 12 | 2 | 6 | 6.0 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(Cc5cccnc5)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| CHEMBL1083871 | 13564 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 623 | 12 | 2 | 6 | 6.0 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(Cc5cccnc5)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| 46236394 | 13570 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 628 | 12 | 2 | 9 | 4.1 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(Cc5nnn(C)n5)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| CHEMBL1083877 | 13570 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 628 | 12 | 2 | 9 | 4.1 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(Cc5nnn(C)n5)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| 46236396 | 13571 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 618 | 15 | 2 | 6 | 5.8 | CCOCCCN1CCN(CCC[C@@H](Cc2ccccc2)NC(=O)C2(NC(=O)c3cc4ccc(C)cc4s3)CCCC2)CC1 | 10.1021/jm100176s | ||
| CHEMBL1083878 | 13571 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 618 | 15 | 2 | 6 | 5.8 | CCOCCCN1CCN(CCC[C@@H](Cc2ccccc2)NC(=O)C2(NC(=O)c3cc4ccc(C)cc4s3)CCCC2)CC1 | 10.1021/jm100176s | ||
| 46236516 | 13640 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 639 | 12 | 2 | 6 | 4.2 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(S(=O)(=O)N(C)C)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| CHEMBL1084160 | 13640 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 639 | 12 | 2 | 6 | 4.2 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(S(=O)(=O)N(C)C)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| 44577911 | 179032 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 664 | 12 | 3 | 5 | 5.7 | Cc1ccc(-c2ccc(C(=O)NC3(C(=O)N[C@H](Cc4ccccc4)C(=O)NCC4CCN(CC5CCOCC5)CC4)CCCC3)cc2)cc1 | 10.1021/jm100176s | ||
| CHEMBL447439 | 179032 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 664 | 12 | 3 | 5 | 5.7 | Cc1ccc(-c2ccc(C(=O)NC3(C(=O)N[C@H](Cc4ccccc4)C(=O)NCC4CCN(CC5CCOCC5)CC4)CCCC3)cc2)cc1 | 10.1021/jm100176s | ||
| 11193706 | 17287 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 707 | 9 | 6 | 7 | 1.0 | O=C1C[C@@H](NC(=O)CN2CCOCC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm011127h | ||
| CHEMBL116812 | 17287 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 707 | 9 | 6 | 7 | 1.0 | O=C1C[C@@H](NC(=O)CN2CCOCC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm011127h | ||
| 53324157 | 65262 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 610 | 12 | 2 | 5 | 5.4 | O=C(NC1(C(=O)N[C@H](CCCN2CCN(CC3CCOCC3)CC2)Cc2ccccc2)CCCC1)c1ccc2ccccc2c1 | 10.1016/j.bmcl.2011.01.074 | ||
| CHEMBL1683151 | 65262 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 610 | 12 | 2 | 5 | 5.4 | O=C(NC1(C(=O)N[C@H](CCCN2CCN(CC3CCOCC3)CC2)Cc2ccccc2)CCCC1)c1ccc2ccccc2c1 | 10.1016/j.bmcl.2011.01.074 | ||
| 9961315 | 124702 | 0 | None | -2 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 661 | 10 | 0 | 5 | 7.9 | COc1ccc(C2CCN(CC[C@H](CN(C)C(=O)c3cc(C#N)cc4ccccc34)c3ccc(Cl)c(Cl)c3)CC2)c([S@+](C)[O-])c1 | 10.1021/jm020094i | ||
| CHEMBL340326 | 124702 | 0 | None | -2 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 661 | 10 | 0 | 5 | 7.9 | COc1ccc(C2CCN(CC[C@H](CN(C)C(=O)c3cc(C#N)cc4ccccc34)c3ccc(Cl)c(Cl)c3)CC2)c([S@+](C)[O-])c1 | 10.1021/jm020094i | ||
| 23626900 | 157962 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 596 | 11 | 3 | 6 | 4.2 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1cc2cccc(Cl)c2s1 | 10.1021/jm070289w | ||
| CHEMBL395975 | 157962 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 596 | 11 | 3 | 6 | 4.2 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1cc2cccc(Cl)c2s1 | 10.1021/jm070289w | ||
| 44434191 | 156615 | 0 | None | 501 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 588 | 11 | 3 | 5 | 5.4 | CC1CCCCN1CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1 | 10.1016/j.bmcl.2007.06.053 | ||
| CHEMBL394889 | 156615 | 0 | None | 501 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 588 | 11 | 3 | 5 | 5.4 | CC1CCCCN1CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1 | 10.1016/j.bmcl.2007.06.053 | ||
| 11274473 | 91800 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 744 | 13 | 11 | 10 | -1.4 | O=C1C[C@@H](NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm040832y | ||
| CHEMBL223993 | 91800 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 744 | 13 | 11 | 10 | -1.4 | O=C1C[C@@H](NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm040832y | ||
| 10876489 | 91979 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 788 | 10 | 6 | 7 | 2.6 | O=C1C[C@@H](NC(=O)CN2CCC(N3CCCCC3)CC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm040832y | ||
| CHEMBL225475 | 91979 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 788 | 10 | 6 | 7 | 2.6 | O=C1C[C@@H](NC(=O)CN2CCC(N3CCCCC3)CC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm040832y | ||
| 11331994 | 175801 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 663 | 7 | 5 | 6 | 1.8 | CN1CCN([C@@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)CC1 | 10.1021/jm040832y | ||
| CHEMBL439377 | 175801 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 663 | 7 | 5 | 6 | 1.8 | CN1CCN([C@@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)CC1 | 10.1021/jm040832y | ||
| 46238232 | 13541 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 614 | 12 | 2 | 6 | 5.3 | Cc1ccc2oc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(CC5CCOCC5)CC4)Cc4ccccc4)CCCC3)cc2c1 | 10.1021/jm100176s | ||
| CHEMBL1083848 | 13541 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 614 | 12 | 2 | 6 | 5.3 | Cc1ccc2oc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(CC5CCOCC5)CC4)Cc4ccccc4)CCCC3)cc2c1 | 10.1021/jm100176s | ||
| 46236510 | 13573 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 639 | 11 | 2 | 6 | 5.6 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(C(=O)c5cccn5C)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| CHEMBL1083880 | 13573 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 639 | 11 | 2 | 6 | 5.6 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(C(=O)c5cccn5C)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| 46236512 | 13638 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 645 | 10 | 2 | 6 | 4.8 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(C(=O)N5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| CHEMBL1084158 | 13638 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 645 | 10 | 2 | 6 | 4.8 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(C(=O)N5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| 44343142 | 162638 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 788 | 10 | 6 | 7 | 2.6 | O=C1C[C@@H](NC(=O)CN2CCC(N3CCCCC3)CC2)C(=O)NC[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm011127h | ||
| CHEMBL406024 | 162638 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 788 | 10 | 6 | 7 | 2.6 | O=C1C[C@@H](NC(=O)CN2CCC(N3CCCCC3)CC2)C(=O)NC[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm011127h | ||
| 2106 | 10319 | 4 | None | -1 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 711 | 12 | 1 | 6 | 6.4 | CO/N=C(/[C@@H](c1ccc(c(c1)Cl)Cl)CCN1CCC(CC1)N1CCC[C@@H](C1=O)CC(=O)NC)\CN(C(=O)c1cc(Cl)cc(c1)Cl)C | 10.1016/s0960-894x(02)00462-6 | ||
| 9875034 | 10319 | 4 | None | -1 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 711 | 12 | 1 | 6 | 6.4 | CO/N=C(/[C@@H](c1ccc(c(c1)Cl)Cl)CCN1CCC(CC1)N1CCC[C@@H](C1=O)CC(=O)NC)\CN(C(=O)c1cc(Cl)cc(c1)Cl)C | 10.1016/s0960-894x(02)00462-6 | ||
| CHEMBL77023 | 10319 | 4 | None | -1 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 711 | 12 | 1 | 6 | 6.4 | CO/N=C(/[C@@H](c1ccc(c(c1)Cl)Cl)CCN1CCC(CC1)N1CCC[C@@H](C1=O)CC(=O)NC)\CN(C(=O)c1cc(Cl)cc(c1)Cl)C | 10.1016/s0960-894x(02)00462-6 | ||
| 9810544 | 211571 | 0 | None | -1 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 726 | 12 | 1 | 6 | 6.4 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(C(C)(C)C(N)=O)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00462-6 | ||
| CHEMBL74956 | 211571 | 0 | None | -1 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 726 | 12 | 1 | 6 | 6.4 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(C(C)(C)C(N)=O)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00462-6 | ||
| 155551678 | 182211 | 0 | None | -1 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 697 | 12 | 1 | 6 | 6.9 | CNC(=O)C[C@H]1CCCN(C2CCN(CC[C@@H](/C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N/OC)c3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1021/acs.jmedchem.9b00017 | ||
| CHEMBL4576324 | 182211 | 0 | None | -1 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 697 | 12 | 1 | 6 | 6.9 | CNC(=O)C[C@H]1CCCN(C2CCN(CC[C@@H](/C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N/OC)c3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1021/acs.jmedchem.9b00017 | ||
| 44307898 | 208252 | 0 | None | 1 | 2 | Guinea pig | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 767 | 12 | 0 | 7 | 6.5 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCC(CC(=O)N3CCOCC3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| CHEMBL60504 | 208252 | 0 | None | 1 | 2 | Guinea pig | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 767 | 12 | 0 | 7 | 6.5 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCC(CC(=O)N3CCOCC3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| 44307679 | 210296 | 0 | None | 1 | 2 | Guinea pig | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 711 | 12 | 1 | 6 | 6.4 | CNC(=O)CC1CCCN(C2CCN(CC[C@@H](/C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N/OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O | 10.1016/s0960-894x(02)00340-2 | ||
| CHEMBL66332 | 210296 | 0 | None | 1 | 2 | Guinea pig | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 711 | 12 | 1 | 6 | 6.4 | CNC(=O)CC1CCCN(C2CCN(CC[C@@H](/C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N/OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O | 10.1016/s0960-894x(02)00340-2 | ||
| 23625950 | 149659 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 578 | 11 | 3 | 6 | 4.2 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCSCC2)CCCC1)c1cc2ccccc2s1 | 10.1021/jm070289w | ||
| CHEMBL389355 | 149659 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 578 | 11 | 3 | 6 | 4.2 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCSCC2)CCCC1)c1cc2ccccc2s1 | 10.1021/jm070289w | ||
| 104974 | 10248 | 31 | None | -1 | 7 | Bovine | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 10.1016/j.bmcl.2004.06.053 | ||
| 2111 | 10248 | 31 | None | -1 | 7 | Bovine | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 10.1016/j.bmcl.2004.06.053 | ||
| 3481 | 10248 | 31 | None | -1 | 7 | Bovine | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 10.1016/j.bmcl.2004.06.053 | ||
| CHEMBL308148 | 10248 | 31 | None | -1 | 7 | Bovine | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 10.1016/j.bmcl.2004.06.053 | ||
| DB06660 | 10248 | 31 | None | -1 | 7 | Bovine | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 10.1016/j.bmcl.2004.06.053 | ||
| 44315483 | 103374 | 0 | None | -1 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 728 | 13 | 2 | 7 | 5.0 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN([C@H](CO)C(N)=O)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00462-6 | ||
| CHEMBL263243 | 103374 | 0 | None | -1 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 728 | 13 | 2 | 7 | 5.0 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN([C@H](CO)C(N)=O)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00462-6 | ||
| 9831707 | 211806 | 0 | None | 1 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 718 | 11 | 0 | 6 | 7.7 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(c3ccccn3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00462-6 | ||
| CHEMBL76965 | 211806 | 0 | None | 1 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 718 | 11 | 0 | 6 | 7.7 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(c3ccccn3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00462-6 | ||
| 9853636 | 212229 | 0 | None | -1 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 762 | 14 | 1 | 7 | 5.7 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(CCNS(C)(=O)=O)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00462-6 | ||
| CHEMBL80355 | 212229 | 0 | None | -1 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 762 | 14 | 1 | 7 | 5.7 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(CCNS(C)(=O)=O)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00462-6 | ||
| 102023780 | 127525 | 0 | None | -1 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 698 | 12 | 3 | 7 | 6.4 | CN(C/C(=N\OCC(=N)NO)[C@H](CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| 10417302 | 127525 | 0 | None | -1 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 698 | 12 | 3 | 7 | 6.4 | CN(C/C(=N\OCC(=N)NO)[C@H](CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| 44380072 | 127525 | 0 | None | -1 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 698 | 12 | 3 | 7 | 6.4 | CN(C/C(=N\OCC(=N)NO)[C@H](CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| CHEMBL355041 | 127525 | 0 | None | -1 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 698 | 12 | 3 | 7 | 6.4 | CN(C/C(=N\OCC(=N)NO)[C@H](CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| 104974 | 10248 | 31 | None | 1 | 7 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 10.1016/s0960-894x(00)00463-7 | ||
| 2111 | 10248 | 31 | None | 1 | 7 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 10.1016/s0960-894x(00)00463-7 | ||
| 3481 | 10248 | 31 | None | 1 | 7 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 10.1016/s0960-894x(00)00463-7 | ||
| CHEMBL308148 | 10248 | 31 | None | 1 | 7 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 10.1016/s0960-894x(00)00463-7 | ||
| DB06660 | 10248 | 31 | None | 1 | 7 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 10.1016/s0960-894x(00)00463-7 | ||
| 104974 | 10248 | 31 | None | -7 | 7 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 10.1016/S0960-894X(00)80694-0 | ||
| 2111 | 10248 | 31 | None | -7 | 7 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 10.1016/S0960-894X(00)80694-0 | ||
| 3481 | 10248 | 31 | None | -7 | 7 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 10.1016/S0960-894X(00)80694-0 | ||
| CHEMBL308148 | 10248 | 31 | None | -7 | 7 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 10.1016/S0960-894X(00)80694-0 | ||
| DB06660 | 10248 | 31 | None | -7 | 7 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 10.1016/S0960-894X(00)80694-0 | ||
| 9843958 | 207572 | 1 | None | - | 1 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 400 | 6 | 2 | 3 | 3.5 | [O-][S+](CC1(O)CCN(CCc2c[nH]c3ccc(F)cc23)CC1)c1ccccc1 | 10.1016/S0960-894X(01)80541-2 | ||
| CHEMBL60064 | 207572 | 1 | None | - | 1 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 400 | 6 | 2 | 3 | 3.5 | [O-][S+](CC1(O)CCN(CCc2c[nH]c3ccc(F)cc23)CC1)c1ccccc1 | 10.1016/S0960-894X(01)80541-2 | ||
| 44577907 | 179230 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 614 | 12 | 3 | 5 | 4.4 | Cc1ccc(/C=C/C(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCC3CCN(CC4CCOCC4)CC3)CCCC2)cc1 | 10.1016/j.bmcl.2008.06.102 | ||
| CHEMBL447971 | 179230 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 614 | 12 | 3 | 5 | 4.4 | Cc1ccc(/C=C/C(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCC3CCN(CC4CCOCC4)CC3)CCCC2)cc1 | 10.1016/j.bmcl.2008.06.102 | ||
| 44421494 | 148786 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 1068 | 19 | 17 | 20 | -5.8 | O=C1C[C@@H](NC[C@H](O)[C@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@H]2O)[C@H](O)CO)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm040832y | ||
| CHEMBL387542 | 148786 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 1068 | 19 | 17 | 20 | -5.8 | O=C1C[C@@H](NC[C@H](O)[C@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@H]2O)[C@H](O)CO)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm040832y | ||
| 11468591 | 150636 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 748 | 10 | 7 | 7 | 0.9 | NC(=O)C1CCN(CC(=O)N[C@@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)CC1 | 10.1021/jm040832y | ||
| CHEMBL390167 | 150636 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 748 | 10 | 7 | 7 | 0.9 | NC(=O)C1CCN(CC(=O)N[C@@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)CC1 | 10.1021/jm040832y | ||
| 46237957 | 13464 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 636 | 13 | 2 | 5 | 5.9 | O=C(NC1(C(=O)N[C@@H](CCCN2CCN(CC3CCOCC3)CC2)Cc2ccccc2)CCCC1)c1ccc(-c2ccccc2)cc1 | 10.1021/jm100176s | ||
| CHEMBL1083560 | 13464 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 636 | 13 | 2 | 5 | 5.9 | O=C(NC1(C(=O)N[C@@H](CCCN2CCN(CC3CCOCC3)CC2)Cc2ccccc2)CCCC1)c1ccc(-c2ccccc2)cc1 | 10.1021/jm100176s | ||
| 46236647 | 13547 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 616 | 11 | 2 | 6 | 5.6 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCC(N5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| CHEMBL1083854 | 13547 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 616 | 11 | 2 | 6 | 5.6 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCC(N5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| 46236798 | 13554 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 628 | 11 | 2 | 6 | 5.6 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](/C=C/CN4CCN(CC5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| CHEMBL1083861 | 13554 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 628 | 11 | 2 | 6 | 5.6 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](/C=C/CN4CCN(CC5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| 11239162 | 13558 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 645 | 13 | 2 | 6 | 6.5 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](COCCC4CCN(CC5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| CHEMBL1083865 | 13558 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 645 | 13 | 2 | 6 | 6.5 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](COCCC4CCN(CC5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| 46236514 | 13639 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 681 | 12 | 2 | 7 | 4.0 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(S(=O)(=O)N5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| CHEMBL1084159 | 13639 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 681 | 12 | 2 | 7 | 4.0 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(S(=O)(=O)N5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| 46236655 | 13642 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 638 | 12 | 2 | 6 | 5.1 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(S(=O)(=O)C(C)C)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| CHEMBL1084162 | 13642 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 638 | 12 | 2 | 6 | 5.1 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(S(=O)(=O)C(C)C)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| 2110 | 9743 | 38 | None | -1 | 6 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 605 | 8 | 0 | 3 | 7.4 | O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 | 10.1021/jm9602423 | ||
| 219077 | 9743 | 38 | None | -1 | 6 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 605 | 8 | 0 | 3 | 7.4 | O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 | 10.1021/jm9602423 | ||
| 3480 | 9743 | 38 | None | -1 | 6 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 605 | 8 | 0 | 3 | 7.4 | O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 | 10.1021/jm9602423 | ||
| CHEMBL346178 | 9743 | 38 | None | -1 | 6 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 605 | 8 | 0 | 3 | 7.4 | O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 | 10.1021/jm9602423 | ||
| DB04872 | 9743 | 38 | None | -1 | 6 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 605 | 8 | 0 | 3 | 7.4 | O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 | 10.1021/jm9602423 | ||
| 23626744 | 99352 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 616 | 10 | 3 | 6 | 4.7 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCC2CCN(C3CCOCC3)CC2)CCCC1)c1cc2ccccc2s1 | 10.1021/jm070289w | ||
| CHEMBL243498 | 99352 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 616 | 10 | 3 | 6 | 4.7 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCC2CCN(C3CCOCC3)CC2)CCCC1)c1cc2ccccc2s1 | 10.1021/jm070289w | ||
| 2109 | 10909 | 4 | None | -5 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 631 | 9 | 0 | 4 | 7.9 | N#Cc1cc2ccccc2c(c1)C(=O)N(C[C@H](c1ccc(c(c1)Cl)Cl)CCN1CCC(CC1)c1ccccc1[S@@](=O)C)C | 10.1016/s0960-894x(01)00572-8 | ||
| 9852253 | 10909 | 4 | None | -5 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 631 | 9 | 0 | 4 | 7.9 | N#Cc1cc2ccccc2c(c1)C(=O)N(C[C@H](c1ccc(c(c1)Cl)Cl)CCN1CCC(CC1)c1ccccc1[S@@](=O)C)C | 10.1016/s0960-894x(01)00572-8 | ||
| CHEMBL129683 | 10909 | 4 | None | -5 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 631 | 9 | 0 | 4 | 7.9 | N#Cc1cc2ccccc2c(c1)C(=O)N(C[C@H](c1ccc(c(c1)Cl)Cl)CCN1CCC(CC1)c1ccccc1[S@@](=O)C)C | 10.1016/s0960-894x(01)00572-8 | ||
| 9830361 | 188405 | 0 | None | -1 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 538 | 7 | 1 | 4 | 7.1 | C[C@H](NC(=O)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1 | 10.1021/jm000501v | ||
| CHEMBL47739 | 188405 | 0 | None | -1 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 538 | 7 | 1 | 4 | 7.1 | C[C@H](NC(=O)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1 | 10.1021/jm000501v | ||
| 9850582 | 204021 | 22 | None | -1 | 6 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(c2ccccc2)CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/s0960-894x(98)00037-7 | ||
| CHEMBL56835 | 204021 | 22 | None | -1 | 6 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(c2ccccc2)CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/s0960-894x(98)00037-7 | ||
| 44307741 | 210566 | 0 | None | -15 | 2 | Guinea pig | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 753 | 12 | 1 | 7 | 5.8 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@@H](CCN1CCC(N2CCCC(CC(=O)N3CC(O)C3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| CHEMBL68234 | 210566 | 0 | None | -15 | 2 | Guinea pig | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 753 | 12 | 1 | 7 | 5.8 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@@H](CCN1CCC(N2CCCC(CC(=O)N3CC(O)C3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| CHEMBL334721 | 218178 | 1 | None | 9 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | CSCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CNC(=O)C[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2 | 10.1021/jm0010217 | ||||
| 10281234 | 99009 | 0 | None | 38 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 562 | 11 | 3 | 6 | 3.5 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1cc2ccccc2s1 | 10.1016/j.bmcl.2007.06.053 | ||
| CHEMBL242631 | 99009 | 0 | None | 38 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 562 | 11 | 3 | 6 | 3.5 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1cc2ccccc2s1 | 10.1016/j.bmcl.2007.06.053 | ||
| 71458042 | 85671 | 0 | None | 1 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 692 | 8 | 5 | 6 | 2.0 | O=C1C[C@@H](CC(=O)N2CCOCC2)C(=O)NC[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1016/s0960-894x(01)00841-1 | ||
| CHEMBL2112923 | 85671 | 0 | None | 1 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 692 | 8 | 5 | 6 | 2.0 | O=C1C[C@@H](CC(=O)N2CCOCC2)C(=O)NC[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1016/s0960-894x(01)00841-1 | ||
| 44421493 | 91801 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 906 | 16 | 14 | 15 | -3.6 | O=C1C[C@@H](NC[C@H](O)[C@@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)CO)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm040832y | ||
| CHEMBL223994 | 91801 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 906 | 16 | 14 | 15 | -3.6 | O=C1C[C@@H](NC[C@H](O)[C@@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)CO)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm040832y | ||
| 46237825 | 13463 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 650 | 13 | 2 | 5 | 6.3 | Cc1ccc(-c2ccc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(CC5CCOCC5)CC4)Cc4ccccc4)CCCC3)cc2)cc1 | 10.1021/jm100176s | ||
| CHEMBL1083559 | 13463 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 650 | 13 | 2 | 5 | 6.3 | Cc1ccc(-c2ccc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(CC5CCOCC5)CC4)Cc4ccccc4)CCCC3)cc2)cc1 | 10.1021/jm100176s | ||
| 46238229 | 13540 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 630 | 13 | 2 | 7 | 5.0 | COc1ccc2oc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(CC5CCOCC5)CC4)Cc4ccccc4)CCCC3)cc2c1 | 10.1021/jm100176s | ||
| CHEMBL1083847 | 13540 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 630 | 13 | 2 | 7 | 5.0 | COc1ccc2oc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(CC5CCOCC5)CC4)Cc4ccccc4)CCCC3)cc2c1 | 10.1021/jm100176s | ||
| 9874027 | 13544 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 630 | 12 | 2 | 6 | 5.8 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@H](CCCN4CCN(CC5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| CHEMBL1083851 | 13544 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 630 | 12 | 2 | 6 | 5.8 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@H](CCCN4CCN(CC5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| 46237037 | 13557 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 631 | 12 | 2 | 6 | 6.1 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](COCC4CCN(CC5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| CHEMBL1083864 | 13557 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 631 | 12 | 2 | 6 | 6.1 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](COCC4CCN(CC5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| 46237168 | 13560 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 609 | 11 | 2 | 6 | 6.0 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(c5ccccn5)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| CHEMBL1083867 | 13560 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 609 | 11 | 2 | 6 | 6.0 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(c5ccccn5)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| 46889663 | 13641 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 611 | 11 | 3 | 6 | 3.6 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(S(N)(=O)=O)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| CHEMBL1084161 | 13641 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 611 | 11 | 3 | 6 | 3.6 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(S(N)(=O)=O)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| 46237698 | 13643 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 624 | 12 | 2 | 6 | 4.7 | CCS(=O)(=O)N1CCN(CCC[C@@H](Cc2ccccc2)NC(=O)C2(NC(=O)c3cc4ccc(C)cc4s3)CCCC2)CC1 | 10.1021/jm100176s | ||
| CHEMBL1084163 | 13643 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 624 | 12 | 2 | 6 | 4.7 | CCS(=O)(=O)N1CCN(CCC[C@@H](Cc2ccccc2)NC(=O)C2(NC(=O)c3cc4ccc(C)cc4s3)CCCC2)CC1 | 10.1021/jm100176s | ||
| 46238091 | 13782 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 600 | 12 | 2 | 6 | 5.0 | O=C(NC1(C(=O)N[C@@H](CCCN2CCN(CC3CCOCC3)CC2)Cc2ccccc2)CCCC1)c1cc2ccccc2o1 | 10.1021/jm100176s | ||
| CHEMBL1084765 | 13782 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 600 | 12 | 2 | 6 | 5.0 | O=C(NC1(C(=O)N[C@@H](CCCN2CCN(CC3CCOCC3)CC2)Cc2ccccc2)CCCC1)c1cc2ccccc2o1 | 10.1021/jm100176s | ||
| 2109 | 10909 | 4 | None | -5 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 631 | 9 | 0 | 4 | 7.9 | N#Cc1cc2ccccc2c(c1)C(=O)N(C[C@H](c1ccc(c(c1)Cl)Cl)CCN1CCC(CC1)c1ccccc1[S@@](=O)C)C | 10.1021/jm020094i | ||
| 9852253 | 10909 | 4 | None | -5 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 631 | 9 | 0 | 4 | 7.9 | N#Cc1cc2ccccc2c(c1)C(=O)N(C[C@H](c1ccc(c(c1)Cl)Cl)CCN1CCC(CC1)c1ccccc1[S@@](=O)C)C | 10.1021/jm020094i | ||
| CHEMBL129683 | 10909 | 4 | None | -5 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 631 | 9 | 0 | 4 | 7.9 | N#Cc1cc2ccccc2c(c1)C(=O)N(C[C@H](c1ccc(c(c1)Cl)Cl)CCN1CCC(CC1)c1ccccc1[S@@](=O)C)C | 10.1021/jm020094i | ||
| 10281234 | 99009 | 0 | None | 38 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 562 | 11 | 3 | 6 | 3.5 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1cc2ccccc2s1 | 10.1021/jm070289w | ||
| CHEMBL242631 | 99009 | 0 | None | 38 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 562 | 11 | 3 | 6 | 3.5 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1cc2ccccc2s1 | 10.1021/jm070289w | ||
| 9852630 | 211632 | 0 | None | -1 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 655 | 10 | 0 | 5 | 6.8 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(C)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00462-6 | ||
| CHEMBL75598 | 211632 | 0 | None | -1 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 655 | 10 | 0 | 5 | 6.8 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(C)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00462-6 | ||
| 9896757 | 211760 | 0 | None | -1 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 732 | 12 | 0 | 6 | 7.7 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(Cc3ccccn3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00462-6 | ||
| CHEMBL76580 | 211760 | 0 | None | -1 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 732 | 12 | 0 | 6 | 7.7 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(Cc3ccccn3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00462-6 | ||
| 9831075 | 211932 | 0 | None | 1 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 657 | 10 | 1 | 6 | 6.5 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(O)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00462-6 | ||
| CHEMBL78132 | 211932 | 0 | None | 1 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 657 | 10 | 1 | 6 | 6.5 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(O)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00462-6 | ||
| 44380396 | 64494 | 0 | None | -1 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 698 | 12 | 3 | 7 | 6.4 | CN(C/C(=N\OCC(=N)NO)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| CHEMBL166921 | 64494 | 0 | None | -1 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 698 | 12 | 3 | 7 | 6.4 | CN(C/C(=N\OCC(=N)NO)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| 9872857 | 188533 | 0 | None | 2 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 498 | 7 | 1 | 4 | 6.1 | CC(C)N1CCN(Cc2c(-c3ccccc3)nc3ccccc3c2C(=O)N[C@@H](C)C2CCCCC2)CC1 | 10.1021/jm000501v | ||
| CHEMBL47775 | 188533 | 0 | None | 2 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 498 | 7 | 1 | 4 | 6.1 | CC(C)N1CCN(Cc2c(-c3ccccc3)nc3ccccc3c2C(=O)N[C@@H](C)C2CCCCC2)CC1 | 10.1021/jm000501v | ||
| 44307773 | 109137 | 0 | None | -17 | 2 | Guinea pig | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 779 | 13 | 0 | 7 | 7.6 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(N2CCCC(CC(=O)C3CCN(C)CC3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| CHEMBL303803 | 109137 | 0 | None | -17 | 2 | Guinea pig | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 779 | 13 | 0 | 7 | 7.6 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(N2CCCC(CC(=O)C3CCN(C)CC3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| 2089 | 9542 | 28 | None | 102 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | ||||
| 3795 | 9542 | 28 | None | 102 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | ||||
| 5311311 | 9542 | 28 | None | 102 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | ||||
| CHEMBL217406 | 9542 | 28 | None | 102 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | ||||
| 10303894 | 92778 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 588 | 12 | 3 | 6 | 4.0 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1ccc(-c2ccccc2)s1 | 10.1021/jm070289w | ||
| CHEMBL230424 | 92778 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 588 | 12 | 3 | 6 | 4.0 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1ccc(-c2ccccc2)s1 | 10.1021/jm070289w | ||
| 23626412 | 155932 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 659 | 11 | 3 | 7 | 3.5 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N2CCC(N3CCOCC3)CC2)CCCC1)c1cc2ccccc2s1 | 10.1021/jm070289w | ||
| CHEMBL394350 | 155932 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 659 | 11 | 3 | 7 | 3.5 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N2CCC(N3CCOCC3)CC2)CCCC1)c1cc2ccccc2s1 | 10.1021/jm070289w | ||
| 10166998 | 173460 | 0 | None | 125 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 576 | 11 | 3 | 6 | 3.9 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCCC1)c1cc2ccccc2s1 | 10.1016/j.bmcl.2007.06.053 | ||
| CHEMBL428203 | 173460 | 0 | None | 125 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 576 | 11 | 3 | 6 | 3.9 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCCC1)c1cc2ccccc2s1 | 10.1016/j.bmcl.2007.06.053 | ||
| 44577893 | 176796 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 634 | 13 | 3 | 6 | 4.8 | CCSc1ccc(C(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCC3CCN(CC4CCOCC4)CC3)CCCC2)cc1 | 10.1016/j.bmcl.2008.06.102 | ||
| CHEMBL444253 | 176796 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 634 | 13 | 3 | 6 | 4.8 | CCSc1ccc(C(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCC3CCN(CC4CCOCC4)CC3)CCCC2)cc1 | 10.1016/j.bmcl.2008.06.102 | ||
| 44577903 | 176824 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 630 | 13 | 3 | 6 | 4.1 | COc1cccc(/C=C/C(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCC3CCN(CC4CCOCC4)CC3)CCCC2)c1 | 10.1016/j.bmcl.2008.06.102 | ||
| CHEMBL444289 | 176824 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 630 | 13 | 3 | 6 | 4.1 | COc1cccc(/C=C/C(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCC3CCN(CC4CCOCC4)CC3)CCCC2)c1 | 10.1016/j.bmcl.2008.06.102 | ||
| 11285716 | 148815 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 650 | 7 | 5 | 6 | 1.9 | O=C1C[C@H](N2CCOCC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm040832y | ||
| CHEMBL387698 | 148815 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 650 | 7 | 5 | 6 | 1.9 | O=C1C[C@H](N2CCOCC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm040832y | ||
| CHEMBL406287 | 148815 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 650 | 7 | 5 | 6 | 1.9 | O=C1C[C@H](N2CCOCC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm040832y | ||
| 46236796 | 13553 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 644 | 11 | 2 | 6 | 5.3 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCC(C(=O)N5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| CHEMBL1083860 | 13553 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 644 | 11 | 2 | 6 | 5.3 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCC(C(=O)N5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| 46237169 | 13561 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 610 | 11 | 2 | 7 | 5.4 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(c5ncccn5)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| CHEMBL1083868 | 13561 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 610 | 11 | 2 | 7 | 5.4 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(c5ncccn5)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| 46889664 | 13644 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 672 | 11 | 2 | 6 | 5.1 | CC/N=C(\N1CCOCC1)N1CCN(CCC[C@@H](Cc2ccccc2)NC(=O)C2(NC(=O)c3cc4ccc(C)cc4s3)CCCC2)CC1 | 10.1021/jm100176s | ||
| CHEMBL1084164 | 13644 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 672 | 11 | 2 | 6 | 5.1 | CC/N=C(\N1CCOCC1)N1CCN(CCC[C@@H](Cc2ccccc2)NC(=O)C2(NC(=O)c3cc4ccc(C)cc4s3)CCCC2)CC1 | 10.1021/jm100176s | ||
| 11285716 | 148815 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 650 | 7 | 5 | 6 | 1.9 | O=C1C[C@H](N2CCOCC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm011127h | ||
| CHEMBL387698 | 148815 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 650 | 7 | 5 | 6 | 1.9 | O=C1C[C@H](N2CCOCC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm011127h | ||
| CHEMBL406287 | 148815 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 650 | 7 | 5 | 6 | 1.9 | O=C1C[C@H](N2CCOCC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm011127h | ||
| 9810434 | 111160 | 0 | None | -1 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 713 | 12 | 1 | 6 | 6.9 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(CC(C)(C)O)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00462-6 | ||
| CHEMBL310273 | 111160 | 0 | None | -1 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 713 | 12 | 1 | 6 | 6.9 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(CC(C)(C)O)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00462-6 | ||
| 101195489 | 162399 | 0 | None | -1 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 713 | 12 | 3 | 7 | 6.1 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(CC(=N)NO)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00462-6 | ||
| 9875056 | 162399 | 0 | None | -1 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 713 | 12 | 3 | 7 | 6.1 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(CC(=N)NO)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00462-6 | ||
| CHEMBL404599 | 162399 | 0 | None | -1 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 713 | 12 | 3 | 7 | 6.1 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(CC(=N)NO)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00462-6 | ||
| 9917970 | 211732 | 0 | None | -1 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 683 | 11 | 0 | 5 | 7.5 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(C(C)C)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00462-6 | ||
| CHEMBL76437 | 211732 | 0 | None | -1 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 683 | 11 | 0 | 5 | 7.5 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(C(C)C)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00462-6 | ||
| 44380206 | 64546 | 0 | None | -1 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 658 | 11 | 0 | 5 | 7.3 | CN(C/C(=N\OCF)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| CHEMBL166961 | 64546 | 0 | None | -1 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 658 | 11 | 0 | 5 | 7.3 | CN(C/C(=N\OCF)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| 44380448 | 127058 | 0 | None | -1 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 670 | 12 | 1 | 6 | 6.4 | CN(C/C(=N\OCCO)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| CHEMBL352588 | 127058 | 0 | None | -1 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 670 | 12 | 1 | 6 | 6.4 | CN(C/C(=N\OCCO)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| 10370066 | 179557 | 1 | None | 1 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 540 | 7 | 1 | 5 | 5.9 | C[C@H](NC(=O)c1c(CN2CCC(N3CCOCC3)CC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1 | 10.1021/jm000501v | ||
| CHEMBL45129 | 179557 | 1 | None | 1 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 540 | 7 | 1 | 5 | 5.9 | C[C@H](NC(=O)c1c(CN2CCC(N3CCOCC3)CC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1 | 10.1021/jm000501v | ||
| 44307821 | 108891 | 0 | None | -4 | 2 | Guinea pig | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 767 | 12 | 0 | 7 | 6.5 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@@H](CCN1CCC(N2CCCC(CC(=O)N3CCOCC3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| CHEMBL302329 | 108891 | 0 | None | -4 | 2 | Guinea pig | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 767 | 12 | 0 | 7 | 6.5 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@@H](CCN1CCC(N2CCCC(CC(=O)N3CCOCC3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| 9874206 | 210550 | 0 | None | -1 | 2 | Guinea pig | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 640 | 10 | 0 | 5 | 7.0 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| CHEMBL68060 | 210550 | 0 | None | -1 | 2 | Guinea pig | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 640 | 10 | 0 | 5 | 7.0 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| 23626108 | 85903 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 589 | 11 | 4 | 6 | 3.9 | C[C@H]1CN(CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(NC(=O)c3cc4ccccc4s3)CCCC2)C[C@@H](C)N1 | 10.1021/jm070289w | ||
| CHEMBL2113292 | 85903 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 589 | 11 | 4 | 6 | 3.9 | C[C@H]1CN(CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(NC(=O)c3cc4ccccc4s3)CCCC2)C[C@@H](C)N1 | 10.1021/jm070289w | ||
| 54537190 | 86418 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 504 | 10 | 1 | 3 | 6.5 | CCC(O)(CC)C1CCN(CC[C@H](CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/s0960-894x(98)00037-7 | ||
| CHEMBL2115073 | 86418 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 504 | 10 | 1 | 3 | 6.5 | CCC(O)(CC)C1CCN(CC[C@H](CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/s0960-894x(98)00037-7 | ||
| 23625325 | 150126 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 630 | 11 | 3 | 6 | 5.1 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC2CCN(C3CCOCC3)CC2)CCCC1)c1cc2ccccc2s1 | 10.1021/jm070289w | ||
| CHEMBL389744 | 150126 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 630 | 11 | 3 | 6 | 5.1 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC2CCN(C3CCOCC3)CC2)CCCC1)c1cc2ccccc2s1 | 10.1021/jm070289w | ||
| 23626568 | 99005 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 673 | 12 | 3 | 7 | 3.7 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N2CCN(CC3CCOCC3)CC2)CCCC1)c1cc2ccccc2s1 | 10.1021/jm070289w | ||
| CHEMBL242619 | 99005 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 673 | 12 | 3 | 7 | 3.7 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N2CCN(CC3CCOCC3)CC2)CCCC1)c1cc2ccccc2s1 | 10.1021/jm070289w | ||
| 9961936 | 109866 | 0 | None | 1 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 723 | 12 | 1 | 8 | 5.9 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(Cc3nn[nH]n3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00462-6 | ||
| CHEMBL307498 | 109866 | 0 | None | 1 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 723 | 12 | 1 | 8 | 5.9 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(Cc3nn[nH]n3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00462-6 | ||
| 9961955 | 179552 | 0 | None | -1 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 726 | 11 | 0 | 7 | 6.4 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(N3CCOCC3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00462-6 | ||
| CHEMBL451235 | 179552 | 0 | None | -1 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 726 | 11 | 0 | 7 | 6.4 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(N3CCOCC3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00462-6 | ||
| 44337354 | 12229 | 0 | None | 58 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 656 | 8 | 2 | 7 | 5.3 | CC(=O)Nc1nc(CN2CCC(NCC(=O)N3CCN(C(=O)c4cc(C)cc(C)c4)C[C@H]3c3ccc(Cl)c(Cl)c3)CC2)cs1 | 10.1016/s0960-894x(02)00645-5 | ||
| CHEMBL107469 | 12229 | 0 | None | 58 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 656 | 8 | 2 | 7 | 5.3 | CC(=O)Nc1nc(CN2CCC(NCC(=O)N3CCN(C(=O)c4cc(C)cc(C)c4)C[C@H]3c3ccc(Cl)c(Cl)c3)CC2)cs1 | 10.1016/s0960-894x(02)00645-5 | ||
| 44307678 | 205454 | 0 | None | -1 | 2 | Guinea pig | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 711 | 12 | 1 | 6 | 6.4 | CNC(=O)CC1CCCN(C2CCN(CC[C@H](/C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N/OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O | 10.1016/s0960-894x(02)00340-2 | ||
| CHEMBL57993 | 205454 | 0 | None | -1 | 2 | Guinea pig | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 711 | 12 | 1 | 6 | 6.4 | CNC(=O)CC1CCCN(C2CCN(CC[C@H](/C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N/OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O | 10.1016/s0960-894x(02)00340-2 | ||
| 44384522 | 66851 | 0 | None | - | 1 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 538 | 10 | 0 | 3 | 7.3 | CCOC1(c2ccccc2)CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/S0960-894X(00)80694-0 | ||
| CHEMBL173841 | 66851 | 0 | None | - | 1 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 538 | 10 | 0 | 3 | 7.3 | CCOC1(c2ccccc2)CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/S0960-894X(00)80694-0 | ||
| 44351946 | 124147 | 1 | None | 1778 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 568 | 8 | 0 | 3 | 7.3 | CCN1C(=O)c2ccccc2[C@H]1[C@@H](CCN1CCC(c2ccccc2[S@+](C)[O-])CC1)c1ccc(Cl)c(Cl)c1 | 10.1021/jm020094i | ||
| CHEMBL339767 | 124147 | 1 | None | 1778 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 568 | 8 | 0 | 3 | 7.3 | CCN1C(=O)c2ccccc2[C@H]1[C@@H](CCN1CCC(c2ccccc2[S@+](C)[O-])CC1)c1ccc(Cl)c(Cl)c1 | 10.1021/jm020094i | ||
| 18964186 | 211083 | 0 | None | -3 | 3 | Bovine | 9.0 | pKi | = | 9 | Binding | ChEMBL | 510 | 8 | 1 | 3 | 6.2 | CN(CC(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 | 10.1016/j.bmcl.2004.06.053 | ||
| CHEMBL71397 | 211083 | 0 | None | -3 | 3 | Bovine | 9.0 | pKi | = | 9 | Binding | ChEMBL | 510 | 8 | 1 | 3 | 6.2 | CN(CC(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 | 10.1016/j.bmcl.2004.06.053 | ||
| 153996 | 119445 | 2 | None | -3 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 639 | 10 | 1 | 6 | 5.7 | COc1cc(C(=O)N2CC[C@](CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC | 10.1016/s0960-894x(01)00572-8 | ||
| CHEMBL330366 | 119445 | 2 | None | -3 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 639 | 10 | 1 | 6 | 5.7 | COc1cc(C(=O)N2CC[C@](CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC | 10.1016/s0960-894x(01)00572-8 | ||
| CHEMBL539021 | 119445 | 2 | None | -3 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 639 | 10 | 1 | 6 | 5.7 | COc1cc(C(=O)N2CC[C@](CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC | 10.1016/s0960-894x(01)00572-8 | ||
| 15508105 | 211610 | 0 | None | 1 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 675 | 10 | 1 | 7 | 7.9 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(n2c(O)nc3ccccc32)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00462-6 | ||
| CHEMBL75422 | 211610 | 0 | None | 1 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 675 | 10 | 1 | 7 | 7.9 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(n2c(O)nc3ccccc32)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00462-6 | ||
| 10432325 | 24727 | 0 | None | - | 1 | Rat | 9.0 | pKi | = | 9 | Binding | ChEMBL | 421 | 5 | 1 | 3 | 4.6 | Cc1ccc(CN2CC3(CCN(CCc4c[nH]c5ccc(F)cc45)CC3)OC2=O)cc1 | 10.1021/jm00019a006 | ||
| CHEMBL126050 | 24727 | 0 | None | - | 1 | Rat | 9.0 | pKi | = | 9 | Binding | ChEMBL | 421 | 5 | 1 | 3 | 4.6 | Cc1ccc(CN2CC3(CCN(CCc4c[nH]c5ccc(F)cc45)CC3)OC2=O)cc1 | 10.1021/jm00019a006 | ||
| 44281649 | 115797 | 0 | None | 1 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 625 | 11 | 1 | 7 | 6.0 | CO/N=C(\CN(C)C(=O)c1cc(C)nc(N(C)C)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| CHEMBL32124 | 115797 | 0 | None | 1 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 625 | 11 | 1 | 7 | 6.0 | CO/N=C(\CN(C)C(=O)c1cc(C)nc(N(C)C)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| 44281332 | 119687 | 0 | None | 100 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 588 | 11 | 1 | 8 | 6.4 | CO/N=C(\COCc1noc(C(C)(C)C)n1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| CHEMBL33106 | 119687 | 0 | None | 100 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 588 | 11 | 1 | 8 | 6.4 | CO/N=C(\COCc1noc(C(C)(C)C)n1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| 5769 | 10297 | 5 | None | 194 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 512 | 6 | 1 | 4 | 6.5 | O=C(c1c(CN2CCC(CC2)N2CCCCC2)c(nc2c1cccc2)c1ccccc1)N[C@H](C(C)(C)C)C | 10.1021/jm000501v | ||
| 9806459 | 10297 | 5 | None | 194 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 512 | 6 | 1 | 4 | 6.5 | O=C(c1c(CN2CCC(CC2)N2CCCCC2)c(nc2c1cccc2)c1ccccc1)N[C@H](C(C)(C)C)C | 10.1021/jm000501v | ||
| CHEMBL295770 | 10297 | 5 | None | 194 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 512 | 6 | 1 | 4 | 6.5 | O=C(c1c(CN2CCC(CC2)N2CCCCC2)c(nc2c1cccc2)c1ccccc1)N[C@H](C(C)(C)C)C | 10.1021/jm000501v | ||
| 44434198 | 156602 | 0 | None | 25 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 623 | 11 | 3 | 6 | 4.0 | CN1CCN(CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(NC(=O)c3cc4ccccc4s3)CCc3ccccc32)CC1 | 10.1016/j.bmcl.2007.06.053 | ||
| CHEMBL394878 | 156602 | 0 | None | 25 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 623 | 11 | 3 | 6 | 4.0 | CN1CCN(CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(NC(=O)c3cc4ccccc4s3)CCc3ccccc32)CC1 | 10.1016/j.bmcl.2007.06.053 | ||
| 44577908 | 177856 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 646 | 13 | 3 | 6 | 4.8 | CSc1ccc(/C=C/C(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCC3CCN(CC4CCOCC4)CC3)CCCC2)cc1 | 10.1016/j.bmcl.2008.06.102 | ||
| CHEMBL445730 | 177856 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 646 | 13 | 3 | 6 | 4.8 | CSc1ccc(/C=C/C(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCC3CCN(CC4CCOCC4)CC3)CCCC2)cc1 | 10.1016/j.bmcl.2008.06.102 | ||
| 44577898 | 178081 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 618 | 12 | 3 | 5 | 4.3 | O=C(/C=C/c1cccc(F)c1)NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCC2CCN(CC3CCOCC3)CC2)CCCC1 | 10.1016/j.bmcl.2008.06.102 | ||
| CHEMBL446086 | 178081 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 618 | 12 | 3 | 5 | 4.3 | O=C(/C=C/c1cccc(F)c1)NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCC2CCN(CC3CCOCC3)CC2)CCCC1 | 10.1016/j.bmcl.2008.06.102 | ||
| 44577906 | 179581 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 614 | 12 | 3 | 5 | 4.4 | Cc1cccc(/C=C/C(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCC3CCN(CC4CCOCC4)CC3)CCCC2)c1 | 10.1016/j.bmcl.2008.06.102 | ||
| CHEMBL451374 | 179581 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 614 | 12 | 3 | 5 | 4.4 | Cc1cccc(/C=C/C(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCC3CCN(CC4CCOCC4)CC3)CCCC2)c1 | 10.1016/j.bmcl.2008.06.102 | ||
| 44577900 | 195664 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 634 | 12 | 3 | 5 | 4.8 | O=C(/C=C/c1ccccc1Cl)NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCC2CCN(CC3CCOCC3)CC2)CCCC1 | 10.1016/j.bmcl.2008.06.102 | ||
| CHEMBL507334 | 195664 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 634 | 12 | 3 | 5 | 4.8 | O=C(/C=C/c1ccccc1Cl)NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCC2CCN(CC3CCOCC3)CC2)CCCC1 | 10.1016/j.bmcl.2008.06.102 | ||
| 11764212 | 91907 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 664 | 8 | 6 | 6 | 2.3 | O=C1C[C@H](NC2CCOCC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm040832y | ||
| CHEMBL224888 | 91907 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 664 | 8 | 6 | 6 | 2.3 | O=C1C[C@H](NC2CCOCC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm040832y | ||
| 46237296 | 13545 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 630 | 12 | 2 | 6 | 5.8 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCC(CN5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| CHEMBL1083852 | 13545 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 630 | 12 | 2 | 6 | 5.8 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCC(CN5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| 46236392 | 13569 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 612 | 12 | 3 | 6 | 5.3 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(Cc5c[nH]cn5)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| CHEMBL1083876 | 13569 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 612 | 12 | 3 | 6 | 5.3 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(Cc5c[nH]cn5)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| 9875181 | 178122 | 0 | None | -7 | 2 | Guinea pig | 9.0 | pKi | = | 9 | Binding | ChEMBL | 725 | 12 | 0 | 6 | 6.7 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(N2CCCC(CC(=O)N(C)C)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| CHEMBL446146 | 178122 | 0 | None | -7 | 2 | Guinea pig | 9.0 | pKi | = | 9 | Binding | ChEMBL | 725 | 12 | 0 | 6 | 6.7 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(N2CCCC(CC(=O)N(C)C)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| 9810835 | 210354 | 0 | None | -7 | 2 | Guinea pig | 9.0 | pKi | = | 9 | Binding | ChEMBL | 767 | 12 | 0 | 7 | 6.5 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(N2CCCC(CC(=O)N3CCOCC3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| CHEMBL66763 | 210354 | 0 | None | -7 | 2 | Guinea pig | 9.0 | pKi | = | 9 | Binding | ChEMBL | 767 | 12 | 0 | 7 | 6.5 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(N2CCCC(CC(=O)N3CCOCC3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| 9874206 | 210550 | 0 | None | -1 | 2 | Guinea pig | 9.0 | pKi | = | 9 | Binding | ChEMBL | 640 | 10 | 0 | 5 | 7.0 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| CHEMBL68060 | 210550 | 0 | None | -1 | 2 | Guinea pig | 9.0 | pKi | = | 9 | Binding | ChEMBL | 640 | 10 | 0 | 5 | 7.0 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| 44385249 | 67978 | 0 | None | - | 1 | Rat | 9.0 | pKi | = | 9 | Binding | ChEMBL | 516 | 8 | 1 | 4 | 6.3 | CN(CC(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccsc1 | 10.1016/S0960-894X(00)80694-0 | ||
| CHEMBL176588 | 67978 | 0 | None | - | 1 | Rat | 9.0 | pKi | = | 9 | Binding | ChEMBL | 516 | 8 | 1 | 4 | 6.3 | CN(CC(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccsc1 | 10.1016/S0960-894X(00)80694-0 | ||
| 18964186 | 211083 | 0 | None | -3 | 3 | Rat | 9.0 | pKi | = | 9 | Binding | ChEMBL | 510 | 8 | 1 | 3 | 6.2 | CN(CC(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 | 10.1016/S0960-894X(00)80694-0 | ||
| CHEMBL71397 | 211083 | 0 | None | -3 | 3 | Rat | 9.0 | pKi | = | 9 | Binding | ChEMBL | 510 | 8 | 1 | 3 | 6.2 | CN(CC(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 | 10.1016/S0960-894X(00)80694-0 | ||
| 23626413 | 99007 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 589 | 10 | 3 | 6 | 3.0 | CN1CCN(C(=O)CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(NC(=O)c3cc4ccccc4s3)CCCC2)CC1 | 10.1021/jm070289w | ||
| CHEMBL242625 | 99007 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 589 | 10 | 3 | 6 | 3.0 | CN1CCN(C(=O)CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(NC(=O)c3cc4ccccc4s3)CCCC2)CC1 | 10.1021/jm070289w | ||
| 44315298 | 109888 | 0 | None | -1 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 721 | 12 | 0 | 6 | 7.9 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(Cc3ccoc3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00462-6 | ||
| CHEMBL307733 | 109888 | 0 | None | -1 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 721 | 12 | 0 | 6 | 7.9 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(Cc3ccoc3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00462-6 | ||
| 44337208 | 12011 | 0 | None | 38 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 635 | 7 | 2 | 5 | 4.9 | Cc1cc(C)cc(C(=O)N2CCN(C(=O)CNC3CCN(C(=O)[C@@H](N)c4ccccc4)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 | 10.1016/s0960-894x(02)00645-5 | ||
| CHEMBL106300 | 12011 | 0 | None | 38 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 635 | 7 | 2 | 5 | 4.9 | Cc1cc(C)cc(C(=O)N2CCN(C(=O)CNC3CCN(C(=O)[C@@H](N)c4ccccc4)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 | 10.1016/s0960-894x(02)00645-5 | ||
| 44337207 | 14602 | 0 | None | 10 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 649 | 8 | 2 | 5 | 4.8 | Cc1cc(C)cc(C(=O)N2CCN(C(=O)CNC3CCN(C(=O)[C@H](N)Cc4ccccc4)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 | 10.1016/s0960-894x(02)00645-5 | ||
| CHEMBL108955 | 14602 | 0 | None | 10 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 649 | 8 | 2 | 5 | 4.8 | Cc1cc(C)cc(C(=O)N2CCN(C(=O)CNC3CCN(C(=O)[C@H](N)Cc4ccccc4)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 | 10.1016/s0960-894x(02)00645-5 | ||
| 23626569 | 156243 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 659 | 11 | 3 | 7 | 3.5 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N2CCN(C3CCOCC3)CC2)CCCC1)c1cc2ccccc2s1 | 10.1021/jm070289w | ||
| CHEMBL394607 | 156243 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 659 | 11 | 3 | 7 | 3.5 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N2CCN(C3CCOCC3)CC2)CCCC1)c1cc2ccccc2s1 | 10.1021/jm070289w | ||
| 9831674 | 111188 | 0 | None | -1 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 712 | 12 | 1 | 6 | 5.9 | CNC(=O)CN1CCCN(C2CCN(CC[C@@H](/C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N/OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O | 10.1016/s0960-894x(02)00462-6 | ||
| CHEMBL310334 | 111188 | 0 | None | -1 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 712 | 12 | 1 | 6 | 5.9 | CNC(=O)CN1CCCN(C2CCN(CC[C@@H](/C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N/OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O | 10.1016/s0960-894x(02)00462-6 | ||
| 44315370 | 211618 | 0 | None | -1 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 789 | 14 | 0 | 7 | 7.9 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(CC(=O)OCc3ccccc3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00462-6 | ||
| CHEMBL75479 | 211618 | 0 | None | -1 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 789 | 14 | 0 | 7 | 7.9 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(CC(=O)OCc3ccccc3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00462-6 | ||
| 44315297 | 211646 | 0 | None | 1 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 833 | 15 | 1 | 8 | 8.0 | CCOC(=O)[C@@H](Cc1ccc(O)cc1)N1CCCN(C2CCN(CC[C@@H](/C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N/OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O | 10.1016/s0960-894x(02)00462-6 | ||
| CHEMBL75698 | 211646 | 0 | None | 1 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 833 | 15 | 1 | 8 | 8.0 | CCOC(=O)[C@@H](Cc1ccc(O)cc1)N1CCCN(C2CCN(CC[C@@H](/C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N/OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O | 10.1016/s0960-894x(02)00462-6 | ||
| 44315299 | 211790 | 0 | None | 1 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 737 | 12 | 0 | 6 | 8.4 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(Cc3ccsc3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00462-6 | ||
| CHEMBL76823 | 211790 | 0 | None | 1 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 737 | 12 | 0 | 6 | 8.4 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(Cc3ccsc3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00462-6 | ||
| 10792233 | 183194 | 0 | None | 1 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 526 | 7 | 1 | 4 | 5.9 | CC(C)C(=O)N1CCN(Cc2c(-c3ccccc3)nc3ccccc3c2C(=O)N[C@@H](C)C2CCCCC2)CC1 | 10.1021/jm000501v | ||
| CHEMBL45961 | 183194 | 0 | None | 1 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 526 | 7 | 1 | 4 | 5.9 | CC(C)C(=O)N1CCN(Cc2c(-c3ccccc3)nc3ccccc3c2C(=O)N[C@@H](C)C2CCCCC2)CC1 | 10.1021/jm000501v | ||
| 104974 | 10248 | 31 | None | -3 | 7 | Golden hamster | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 10.1016/S0960-894X(00)80694-0 | ||
| 2111 | 10248 | 31 | None | -3 | 7 | Golden hamster | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 10.1016/S0960-894X(00)80694-0 | ||
| 3481 | 10248 | 31 | None | -3 | 7 | Golden hamster | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 10.1016/S0960-894X(00)80694-0 | ||
| CHEMBL308148 | 10248 | 31 | None | -3 | 7 | Golden hamster | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 10.1016/S0960-894X(00)80694-0 | ||
| DB06660 | 10248 | 31 | None | -3 | 7 | Golden hamster | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 10.1016/S0960-894X(00)80694-0 | ||
| 2089 | 9542 | 28 | None | 102 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm401823z | ||||
| 3795 | 9542 | 28 | None | 102 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm401823z | ||||
| 5311311 | 9542 | 28 | None | 102 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm401823z | ||||
| CHEMBL217406 | 9542 | 28 | None | 102 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm401823z | ||||
| 9887650 | 23423 | 0 | None | 1 | 5 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 407 | 5 | 1 | 3 | 4.3 | O=C1OC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1Cc1ccccc1 | 10.1021/jm00019a006 | ||
| CHEMBL124208 | 23423 | 0 | None | 1 | 5 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 407 | 5 | 1 | 3 | 4.3 | O=C1OC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1Cc1ccccc1 | 10.1021/jm00019a006 | ||
| 10476440 | 123780 | 0 | None | - | 1 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 406 | 5 | 2 | 2 | 3.9 | O=C1NC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1Cc1ccccc1 | 10.1021/jm00019a006 | ||
| CHEMBL338825 | 123780 | 0 | None | - | 1 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 406 | 5 | 2 | 2 | 3.9 | O=C1NC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1Cc1ccccc1 | 10.1021/jm00019a006 | ||
| 10046881 | 125257 | 0 | None | - | 1 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 405 | 5 | 1 | 2 | 4.4 | O=C1CC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1Cc1ccccc1 | 10.1021/jm00019a006 | ||
| CHEMBL341357 | 125257 | 0 | None | - | 1 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 405 | 5 | 1 | 2 | 4.4 | O=C1CC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1Cc1ccccc1 | 10.1021/jm00019a006 | ||
| 10121831 | 96214 | 0 | None | 158 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 618 | 17 | 3 | 5 | 6.5 | CCCCN(CCCC)CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1 | 10.1016/j.bmcl.2007.06.053 | ||
| CHEMBL237097 | 96214 | 0 | None | 158 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 618 | 17 | 3 | 5 | 6.5 | CCCCN(CCCC)CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1 | 10.1016/j.bmcl.2007.06.053 | ||
| 44434196 | 156003 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 594 | 11 | 3 | 5 | 4.8 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCCC2)CCc2ccccc21)c1cc2ccccc2s1 | 10.1016/j.bmcl.2007.06.053 | ||
| CHEMBL394418 | 156003 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 594 | 11 | 3 | 5 | 4.8 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCCC2)CCc2ccccc21)c1cc2ccccc2s1 | 10.1016/j.bmcl.2007.06.053 | ||
| 44434203 | 156006 | 0 | None | 158 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 594 | 11 | 3 | 5 | 4.5 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCCC2)Cc2ccccc2C1)c1cc2ccccc2s1 | 10.1016/j.bmcl.2007.06.053 | ||
| CHEMBL394420 | 156006 | 0 | None | 158 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 594 | 11 | 3 | 5 | 4.5 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCCC2)Cc2ccccc2C1)c1cc2ccccc2s1 | 10.1016/j.bmcl.2007.06.053 | ||
| 44577901 | 180239 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 634 | 12 | 3 | 5 | 4.8 | O=C(/C=C/c1ccc(Cl)cc1)NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCC2CCN(CC3CCOCC3)CC2)CCCC1 | 10.1016/j.bmcl.2008.06.102 | ||
| CHEMBL452960 | 180239 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 634 | 12 | 3 | 5 | 4.8 | O=C(/C=C/c1ccc(Cl)cc1)NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCC2CCN(CC3CCOCC3)CC2)CCCC1 | 10.1016/j.bmcl.2008.06.102 | ||
| 44577902 | 195109 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 630 | 13 | 3 | 6 | 4.1 | COc1ccccc1/C=C/C(=O)NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCC2CCN(CC3CCOCC3)CC2)CCCC1 | 10.1016/j.bmcl.2008.06.102 | ||
| CHEMBL500797 | 195109 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 630 | 13 | 3 | 6 | 4.1 | COc1ccccc1/C=C/C(=O)NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCC2CCN(CC3CCOCC3)CC2)CCCC1 | 10.1016/j.bmcl.2008.06.102 | ||
| 11480157 | 175486 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 906 | 16 | 14 | 15 | -3.6 | O=C1C[C@@H](NC[C@H](O)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)CO)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm040832y | ||
| CHEMBL436804 | 175486 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 906 | 16 | 14 | 15 | -3.6 | O=C1C[C@@H](NC[C@H](O)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)CO)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm040832y | ||
| 46236649 | 13549 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 644 | 12 | 2 | 6 | 6.3 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCC(N(C)C5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| CHEMBL1083856 | 13549 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 644 | 12 | 2 | 6 | 6.3 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCC(N(C)C5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| 44337355 | 12118 | 0 | None | 26 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 581 | 7 | 2 | 4 | 5.2 | Cc1cc(C)cc(C(=O)N2CCN(C(=O)CNC3CCN(Cc4cc[nH]c4)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 | 10.1016/s0960-894x(02)00645-5 | ||
| CHEMBL106877 | 12118 | 0 | None | 26 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 581 | 7 | 2 | 4 | 5.2 | Cc1cc(C)cc(C(=O)N2CCN(C(=O)CNC3CCN(Cc4cc[nH]c4)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 | 10.1016/s0960-894x(02)00645-5 | ||
| 44337174 | 14655 | 0 | None | 11 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 649 | 8 | 2 | 5 | 5.8 | CC(=O)Nc1ccc(CN2CCC(NCC(=O)N3CCN(C(=O)c4cc(C)cc(C)c4)C[C@H]3c3ccc(Cl)c(Cl)c3)CC2)cc1 | 10.1016/s0960-894x(02)00645-5 | ||
| CHEMBL108997 | 14655 | 0 | None | 11 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 649 | 8 | 2 | 5 | 5.8 | CC(=O)Nc1ccc(CN2CCC(NCC(=O)N3CCN(C(=O)c4cc(C)cc(C)c4)C[C@H]3c3ccc(Cl)c(Cl)c3)CC2)cc1 | 10.1016/s0960-894x(02)00645-5 | ||
| 22861435 | 176276 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 489 | 9 | 1 | 4 | 6.2 | CC/C(=N\O)C1CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/s0960-894x(98)00037-7 | ||
| CHEMBL443264 | 176276 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 489 | 9 | 1 | 4 | 6.2 | CC/C(=N\O)C1CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/s0960-894x(98)00037-7 | ||
| 44302497 | 168507 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1095 | 24 | 8 | 14 | 2.9 | CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)c1ccc([N+](=O)[O-])c2nonc12)NC(=O)c1ccccc1)C(N)=O | 10.1021/jm00039a012 | ||
| CHEMBL413650 | 168507 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1095 | 24 | 8 | 14 | 2.9 | CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)c1ccc([N+](=O)[O-])c2nonc12)NC(=O)c1ccccc1)C(N)=O | 10.1021/jm00039a012 | ||
| 118724118 | 123183 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1095 | 25 | 8 | 14 | 3.3 | CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)C(CCNc1ccc([N+](=O)[O-])c2nonc12)NC(=O)c1ccccc1)C(N)=O | 10.1021/jm401823z | ||
| CHEMBL3360196 | 123183 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1095 | 25 | 8 | 14 | 3.3 | CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)C(CCNc1ccc([N+](=O)[O-])c2nonc12)NC(=O)c1ccccc1)C(N)=O | 10.1021/jm401823z | ||
| 23625476 | 103715 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 655 | 11 | 3 | 7 | 4.8 | N#Cc1ccc2cc(C(=O)NC3(C(=O)N[C@H](Cc4ccccc4)C(=O)NCC4CCN(CC5CCOCC5)CC4)CCCC3)sc2c1 | 10.1021/jm070289w | ||
| CHEMBL266108 | 103715 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 655 | 11 | 3 | 7 | 4.8 | N#Cc1ccc2cc(C(=O)NC3(C(=O)N[C@H](Cc4ccccc4)C(=O)NCC4CCN(CC5CCOCC5)CC4)CCCC3)sc2c1 | 10.1021/jm070289w | ||
| 44380526 | 65102 | 0 | None | 1 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 665 | 11 | 0 | 6 | 6.9 | CN(C/C(=N\OCC#N)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| CHEMBL168272 | 65102 | 0 | None | 1 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 665 | 11 | 0 | 6 | 6.9 | CN(C/C(=N\OCC#N)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| 18964216 | 66665 | 0 | None | - | 1 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 516 | 8 | 1 | 4 | 6.3 | CN(CC(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cccs1 | 10.1016/S0960-894X(00)80694-0 | ||
| CHEMBL173008 | 66665 | 0 | None | - | 1 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 516 | 8 | 1 | 4 | 6.3 | CN(CC(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cccs1 | 10.1016/S0960-894X(00)80694-0 | ||
| 44302414 | 89225 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 1110 | 25 | 8 | 14 | 3.3 | CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)c1ccc([N+](=O)[O-])c2nonc12)NC(=O)c1ccccc1)C(N)=O | 10.1021/jm00039a012 | ||
| CHEMBL217548 | 89225 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 1110 | 25 | 8 | 14 | 3.3 | CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)c1ccc([N+](=O)[O-])c2nonc12)NC(=O)c1ccccc1)C(N)=O | 10.1021/jm00039a012 | ||
| 190884 | 123184 | 8 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 1110 | 26 | 8 | 14 | 3.7 | CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CCCNc1ccc([N+](=O)[O-])c2nonc12)NC(=O)c1ccccc1)C(N)=O | 10.1021/jm401823z | ||
| CHEMBL3360197 | 123184 | 8 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 1110 | 26 | 8 | 14 | 3.7 | CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CCCNc1ccc([N+](=O)[O-])c2nonc12)NC(=O)c1ccccc1)C(N)=O | 10.1021/jm401823z | ||
| 44302394 | 104026 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 1124 | 26 | 8 | 14 | 3.7 | CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CCCC(N)c1ccc([N+](=O)[O-])c2nonc12)NC(=O)c1ccccc1)C(N)=O | 10.1021/jm00039a012 | ||
| CHEMBL268783 | 104026 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 1124 | 26 | 8 | 14 | 3.7 | CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CCCC(N)c1ccc([N+](=O)[O-])c2nonc12)NC(=O)c1ccccc1)C(N)=O | 10.1021/jm00039a012 | ||
| 118724119 | 123185 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 1174 | 30 | 9 | 14 | 4.8 | CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CCCCNc1ccc([N+](=O)[O-])c2nonc12)NC(=O)c1ccccc1)C(N)=O | 10.1021/jm401823z | ||
| CHEMBL3360198 | 123185 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 1174 | 30 | 9 | 14 | 4.8 | CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CCCCNc1ccc([N+](=O)[O-])c2nonc12)NC(=O)c1ccccc1)C(N)=O | 10.1021/jm401823z | ||
| 44315369 | 109796 | 0 | None | -1 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 689 | 10 | 0 | 7 | 7.5 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(n2c(=O)n(C)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00462-6 | ||
| CHEMBL306952 | 109796 | 0 | None | -1 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 689 | 10 | 0 | 7 | 7.5 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(n2c(=O)n(C)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00462-6 | ||
| 44380091 | 127499 | 0 | None | -2 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 684 | 13 | 1 | 6 | 6.8 | CN(C/C(=N\OCCCO)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| CHEMBL354772 | 127499 | 0 | None | -2 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 684 | 13 | 1 | 6 | 6.8 | CN(C/C(=N\OCCCO)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| 10744541 | 108119 | 0 | None | -1 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 520 | 8 | 1 | 4 | 6.6 | CC(C)[C@H](NC(=O)c1c(CN2CCN(C(C)C)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 | 10.1021/jm000501v | ||
| CHEMBL296857 | 108119 | 0 | None | -1 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 520 | 8 | 1 | 4 | 6.6 | CC(C)[C@H](NC(=O)c1c(CN2CCN(C(C)C)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 | 10.1021/jm000501v | ||
| 44385289 | 68141 | 0 | None | - | 1 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 560 | 8 | 1 | 3 | 7.4 | CN(CC(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cccc2ccccc12 | 10.1016/S0960-894X(00)80694-0 | ||
| CHEMBL176853 | 68141 | 0 | None | - | 1 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 560 | 8 | 1 | 3 | 7.4 | CN(CC(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cccc2ccccc12 | 10.1016/S0960-894X(00)80694-0 | ||
| 10232331 | 99946 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 596 | 11 | 3 | 6 | 4.2 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1cc2cc(Cl)ccc2s1 | 10.1021/jm070289w | ||
| CHEMBL244364 | 99946 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 596 | 11 | 3 | 6 | 4.2 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1cc2cc(Cl)ccc2s1 | 10.1021/jm070289w | ||
| 10342250 | 23706 | 0 | None | - | 1 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 423 | 7 | 2 | 3 | 3.7 | CC(=O)N(Cc1ccccc1)CC1(O)CCN(CCc2c[nH]c3ccc(F)cc23)CC1 | 10.1021/jm00019a006 | ||
| CHEMBL125310 | 23706 | 0 | None | - | 1 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 423 | 7 | 2 | 3 | 3.7 | CC(=O)N(Cc1ccccc1)CC1(O)CCN(CCc2c[nH]c3ccc(F)cc23)CC1 | 10.1021/jm00019a006 | ||
| 10477484 | 24045 | 0 | None | - | 1 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 425 | 5 | 1 | 3 | 4.5 | O=C1OC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1Cc1cccc(F)c1 | 10.1021/jm00019a006 | ||
| CHEMBL125696 | 24045 | 0 | None | - | 1 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 425 | 5 | 1 | 3 | 4.5 | O=C1OC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1Cc1cccc(F)c1 | 10.1021/jm00019a006 | ||
| 10722305 | 117096 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 601 | 6 | 5 | 4 | 2.8 | O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccc(F)c(F)c2)CN1 | 10.1021/jm0010217 | ||
| CHEMBL323884 | 117096 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 601 | 6 | 5 | 4 | 2.8 | O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccc(F)c(F)c2)CN1 | 10.1021/jm0010217 | ||
| 44434195 | 95369 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 652 | 17 | 3 | 5 | 6.6 | CCCCN(CCCC)CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCc2ccccc21 | 10.1016/j.bmcl.2007.06.053 | ||
| CHEMBL235574 | 95369 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 652 | 17 | 3 | 5 | 6.6 | CCCCN(CCCC)CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCc2ccccc21 | 10.1016/j.bmcl.2007.06.053 | ||
| 44434202 | 158949 | 0 | None | 125 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 652 | 17 | 3 | 5 | 6.3 | CCCCN(CCCC)CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)Cc2ccccc2C1 | 10.1016/j.bmcl.2007.06.053 | ||
| CHEMBL396827 | 158949 | 0 | None | 125 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 652 | 17 | 3 | 5 | 6.3 | CCCCN(CCCC)CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)Cc2ccccc2C1 | 10.1016/j.bmcl.2007.06.053 | ||
| 44577905 | 178430 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 614 | 12 | 3 | 5 | 4.4 | Cc1ccccc1/C=C/C(=O)NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCC2CCN(CC3CCOCC3)CC2)CCCC1 | 10.1016/j.bmcl.2008.06.102 | ||
| CHEMBL446604 | 178430 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 614 | 12 | 3 | 5 | 4.4 | Cc1ccccc1/C=C/C(=O)NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCC2CCN(CC3CCOCC3)CC2)CCCC1 | 10.1016/j.bmcl.2008.06.102 | ||
| 44374556 | 59505 | 0 | None | 1 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 773 | 9 | 5 | 6 | 3.7 | O=C1C[C@@H](CC(=O)N2CCC(N3CCCCC3)CC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1016/s0960-894x(01)00841-1 | ||
| CHEMBL159449 | 59505 | 0 | None | 1 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 773 | 9 | 5 | 6 | 3.7 | O=C1C[C@@H](CC(=O)N2CCC(N3CCCCC3)CC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1016/s0960-894x(01)00841-1 | ||
| 44374427 | 61567 | 0 | None | -1 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 765 | 12 | 6 | 8 | 0.9 | O=C1CC(C(=O)N2CCN(CCOCCO)CC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1016/s0960-894x(01)00841-1 | ||
| CHEMBL161242 | 61567 | 0 | None | -1 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 765 | 12 | 6 | 8 | 0.9 | O=C1CC(C(=O)N2CCN(CCOCCO)CC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1016/s0960-894x(01)00841-1 | ||
| 11491576 | 91673 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 649 | 7 | 6 | 6 | 1.4 | O=C1C[C@@H](N2CCNCC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm040832y | ||
| CHEMBL223644 | 91673 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 649 | 7 | 6 | 6 | 1.4 | O=C1C[C@@H](N2CCNCC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm040832y | ||
| 11343418 | 91847 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 720 | 9 | 6 | 7 | 0.9 | CN1CCN(CC(=O)N[C@@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)CC1 | 10.1021/jm040832y | ||
| CHEMBL224427 | 91847 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 720 | 9 | 6 | 7 | 0.9 | CN1CCN(CC(=O)N[C@@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)CC1 | 10.1021/jm040832y | ||
| 44421491 | 144048 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 882 | 13 | 11 | 11 | -1.5 | CC(=O)N[C@H]1[C@H](NC(=O)CCC(=O)N[C@@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)O[C@H](CO)[C@@H](O)[C@@H]1O | 10.1021/jm040832y | ||
| CHEMBL375213 | 144048 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 882 | 13 | 11 | 11 | -1.5 | CC(=O)N[C@H]1[C@H](NC(=O)CCC(=O)N[C@@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)O[C@H](CO)[C@@H](O)[C@@H]1O | 10.1021/jm040832y | ||
| 11479743 | 148816 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 648 | 7 | 5 | 5 | 3.0 | O=C1C[C@@H](N2CCCCC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm040832y | ||
| CHEMBL387699 | 148816 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 648 | 7 | 5 | 5 | 3.0 | O=C1C[C@@H](N2CCCCC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm040832y | ||
| 10303737 | 92751 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 582 | 12 | 3 | 5 | 4.0 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1ccc(-c2ccccc2)cc1 | 10.1021/jm070289w | ||
| CHEMBL230324 | 92751 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 582 | 12 | 3 | 5 | 4.0 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1ccc(-c2ccccc2)cc1 | 10.1021/jm070289w | ||
| 118724120 | 123186 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 1181 | 29 | 9 | 15 | 3.2 | CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CCCCNCC(=O)Nc1ccc([N+](=O)[O-])c2nonc12)NC(=O)c1ccccc1)C(N)=O | 10.1021/jm401823z | ||
| CHEMBL3360199 | 123186 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 1181 | 29 | 9 | 15 | 3.2 | CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CCCCNCC(=O)Nc1ccc([N+](=O)[O-])c2nonc12)NC(=O)c1ccccc1)C(N)=O | 10.1021/jm401823z | ||
| 10722305 | 117096 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 601 | 6 | 5 | 4 | 2.8 | O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccc(F)c(F)c2)CN1 | 10.1021/jm011127h | ||
| CHEMBL323884 | 117096 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 601 | 6 | 5 | 4 | 2.8 | O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccc(F)c(F)c2)CN1 | 10.1021/jm011127h | ||
| 44343144 | 170799 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 662 | 9 | 7 | 8 | 0.8 | O=C1C[C@H](NCc2nn[nH]n2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm011127h | ||
| CHEMBL420859 | 170799 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 662 | 9 | 7 | 8 | 0.8 | O=C1C[C@H](NCc2nn[nH]n2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm011127h | ||
| 9939307 | 210265 | 0 | None | 2 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 640 | 10 | 0 | 5 | 7.0 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| CHEMBL66106 | 210265 | 0 | None | 2 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 640 | 10 | 0 | 5 | 7.0 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| 10840329 | 123743 | 0 | None | -1 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 546 | 8 | 1 | 4 | 7.2 | CC[C@H](NC(=O)c1c(CN2CCN(C3CCCCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 | 10.1021/jm000501v | ||
| CHEMBL33868 | 123743 | 0 | None | -1 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 546 | 8 | 1 | 4 | 7.2 | CC[C@H](NC(=O)c1c(CN2CCN(C3CCCCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 | 10.1021/jm000501v | ||
| 44315390 | 211821 | 0 | None | -1 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 733 | 12 | 1 | 8 | 7.1 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(n2c(=O)n(CC(=O)O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00462-6 | ||
| CHEMBL77042 | 211821 | 0 | None | -1 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 733 | 12 | 1 | 8 | 7.1 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(n2c(=O)n(CC(=O)O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00462-6 | ||
| 44380062 | 127542 | 0 | None | -1 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 740 | 14 | 2 | 6 | 6.7 | CNC(=O)NCCCO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| CHEMBL355295 | 127542 | 0 | None | -1 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 740 | 14 | 2 | 6 | 6.7 | CNC(=O)NCCCO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| 9850582 | 204021 | 22 | None | -1 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(c2ccccc2)CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/s0960-894x(98)00037-7 | ||
| CHEMBL56835 | 204021 | 22 | None | -1 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(c2ccccc2)CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/s0960-894x(98)00037-7 | ||
| 44315576 | 212024 | 0 | None | -1 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 747 | 12 | 0 | 9 | 7.2 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(n2c(=O)n(CC(=O)OC)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00462-6 | ||
| CHEMBL78851 | 212024 | 0 | None | -1 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 747 | 12 | 0 | 9 | 7.2 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(n2c(=O)n(CC(=O)OC)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00462-6 | ||
| 23625179 | 90305 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 616 | 10 | 3 | 6 | 4.7 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NC2CCN(CC3CCOCC3)CC2)CCCC1)c1cc2ccccc2s1 | 10.1021/jm070289w | ||
| CHEMBL220365 | 90305 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 616 | 10 | 3 | 6 | 4.7 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NC2CCN(CC3CCOCC3)CC2)CCCC1)c1cc2ccccc2s1 | 10.1021/jm070289w | ||
| 23625180 | 99350 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 644 | 12 | 3 | 6 | 5.3 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC2CCN(CC3CCOCC3)CC2)CCCC1)c1cc2ccccc2s1 | 10.1021/jm070289w | ||
| CHEMBL243497 | 99350 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 644 | 12 | 3 | 6 | 5.3 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC2CCN(CC3CCOCC3)CC2)CCCC1)c1cc2ccccc2s1 | 10.1021/jm070289w | ||
| 9829402 | 175279 | 0 | None | 2 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 565 | 6 | 5 | 4 | 2.6 | O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CN1 | 10.1021/jm0010217 | ||
| CHEMBL435324 | 175279 | 0 | None | 2 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 565 | 6 | 5 | 4 | 2.6 | O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CN1 | 10.1021/jm0010217 | ||
| 44331128 | 114034 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 814 | 12 | 6 | 9 | 1.4 | CN(C)CCN(C)C(=O)c1nccnc1C(=O)N[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O | 10.1016/s0960-894x(02)00539-5 | ||
| CHEMBL316943 | 114034 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 814 | 12 | 6 | 9 | 1.4 | CN(C)CCN(C)C(=O)c1nccnc1C(=O)N[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O | 10.1016/s0960-894x(02)00539-5 | ||
| 9829402 | 175279 | 0 | None | 2 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 565 | 6 | 5 | 4 | 2.6 | O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CN1 | 10.1016/s0960-894x(02)00539-5 | ||
| CHEMBL435324 | 175279 | 0 | None | 2 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 565 | 6 | 5 | 4 | 2.6 | O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CN1 | 10.1016/s0960-894x(02)00539-5 | ||
| 44434194 | 95332 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 575 | 11 | 3 | 6 | 3.4 | CN1CCN(CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(NC(=O)c3cc4ccccc4s3)CCCC2)CC1 | 10.1016/j.bmcl.2007.06.053 | ||
| CHEMBL235353 | 95332 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 575 | 11 | 3 | 6 | 3.4 | CN1CCN(CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(NC(=O)c3cc4ccccc4s3)CCCC2)CC1 | 10.1016/j.bmcl.2007.06.053 | ||
| 44434197 | 156005 | 0 | None | 1 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 610 | 11 | 3 | 6 | 4.0 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCc2ccccc21)c1cc2ccccc2s1 | 10.1016/j.bmcl.2007.06.053 | ||
| CHEMBL394419 | 156005 | 0 | None | 1 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 610 | 11 | 3 | 6 | 4.0 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCc2ccccc21)c1cc2ccccc2s1 | 10.1016/j.bmcl.2007.06.053 | ||
| 44434204 | 160347 | 0 | None | 50 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 610 | 11 | 3 | 6 | 3.7 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)Cc2ccccc2C1)c1cc2ccccc2s1 | 10.1016/j.bmcl.2007.06.053 | ||
| CHEMBL398028 | 160347 | 0 | None | 50 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 610 | 11 | 3 | 6 | 3.7 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)Cc2ccccc2C1)c1cc2ccccc2s1 | 10.1016/j.bmcl.2007.06.053 | ||
| 44577899 | 179738 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 618 | 12 | 3 | 5 | 4.3 | O=C(/C=C/c1ccc(F)cc1)NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCC2CCN(CC3CCOCC3)CC2)CCCC1 | 10.1016/j.bmcl.2008.06.102 | ||
| CHEMBL451751 | 179738 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 618 | 12 | 3 | 5 | 4.3 | O=C(/C=C/c1ccc(F)cc1)NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCC2CCN(CC3CCOCC3)CC2)CCCC1 | 10.1016/j.bmcl.2008.06.102 | ||
| 44577904 | 195480 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 630 | 13 | 3 | 6 | 4.1 | COc1ccc(/C=C/C(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCC3CCN(CC4CCOCC4)CC3)CCCC2)cc1 | 10.1016/j.bmcl.2008.06.102 | ||
| CHEMBL504342 | 195480 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 630 | 13 | 3 | 6 | 4.1 | COc1ccc(/C=C/C(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCC3CCN(CC4CCOCC4)CC3)CCCC2)cc1 | 10.1016/j.bmcl.2008.06.102 | ||
| 9829402 | 175279 | 0 | None | 2 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 565 | 6 | 5 | 4 | 2.6 | O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CN1 | 10.1016/s0960-894x(01)00841-1 | ||
| CHEMBL435324 | 175279 | 0 | None | 2 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 565 | 6 | 5 | 4 | 2.6 | O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CN1 | 10.1016/s0960-894x(01)00841-1 | ||
| 11332007 | 91856 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 785 | 14 | 11 | 10 | -1.3 | CC(=O)N[C@@H](CN[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O)[C@@H](O)[C@H](O)[C@H](O)CO | 10.1021/jm040832y | ||
| CHEMBL224532 | 91856 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 785 | 14 | 11 | 10 | -1.3 | CC(=O)N[C@@H](CN[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O)[C@@H](O)[C@H](O)[C@H](O)CO | 10.1021/jm040832y | ||
| 11377052 | 144649 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 580 | 6 | 6 | 5 | 1.5 | N[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O | 10.1021/jm040832y | ||
| CHEMBL376141 | 144649 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 580 | 6 | 6 | 5 | 1.5 | N[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O | 10.1021/jm040832y | ||
| 9829402 | 175279 | 0 | None | 2 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 565 | 6 | 5 | 4 | 2.6 | O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CN1 | 10.1021/jm040832y | ||
| CHEMBL435324 | 175279 | 0 | None | 2 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 565 | 6 | 5 | 4 | 2.6 | O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CN1 | 10.1021/jm040832y | ||
| 46889639 | 13546 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 602 | 10 | 2 | 6 | 5.2 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCN4CCC(N5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| CHEMBL1083853 | 13546 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 602 | 10 | 2 | 6 | 5.2 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCN4CCC(N5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| 46237442 | 13550 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 575 | 12 | 3 | 5 | 5.9 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCC(CCO)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| CHEMBL1083857 | 13550 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 575 | 12 | 3 | 5 | 5.9 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCC(CCO)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| 46236794 | 13552 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 602 | 10 | 2 | 6 | 5.0 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@H](Cc4ccccc4)CN4CCN(CC5CCOCC5)CC4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| CHEMBL1083859 | 13552 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 602 | 10 | 2 | 6 | 5.0 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@H](Cc4ccccc4)CN4CCN(CC5CCOCC5)CC4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| 46237575 | 13662 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 560 | 11 | 2 | 5 | 4.5 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(C=O)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| CHEMBL1084251 | 13662 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 560 | 11 | 2 | 5 | 4.5 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(C=O)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| 9829402 | 175279 | 0 | None | 2 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 565 | 6 | 5 | 4 | 2.6 | O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CN1 | 10.1021/jm011127h | ||
| CHEMBL435324 | 175279 | 0 | None | 2 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 565 | 6 | 5 | 4 | 2.6 | O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CN1 | 10.1021/jm011127h | ||
| 10026337 | 119612 | 0 | None | - | 1 | Rat | 8.0 | pKi | = | 8 | Binding | ChEMBL | 441 | 5 | 1 | 3 | 5.0 | O=C1OC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1Cc1ccc(Cl)cc1 | 10.1021/jm00019a006 | ||
| CHEMBL330826 | 119612 | 0 | None | - | 1 | Rat | 8.0 | pKi | = | 8 | Binding | ChEMBL | 441 | 5 | 1 | 3 | 5.0 | O=C1OC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1Cc1ccc(Cl)cc1 | 10.1021/jm00019a006 | ||
| 10251624 | 125114 | 0 | None | - | 1 | Rat | 8.0 | pKi | = | 8 | Binding | ChEMBL | 421 | 6 | 1 | 3 | 4.4 | O=C1OC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1CCc1ccccc1 | 10.1021/jm00019a006 | ||
| CHEMBL341008 | 125114 | 0 | None | - | 1 | Rat | 8.0 | pKi | = | 8 | Binding | ChEMBL | 421 | 6 | 1 | 3 | 4.4 | O=C1OC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1CCc1ccccc1 | 10.1021/jm00019a006 | ||
| 10069913 | 178088 | 0 | None | - | 1 | Rat | 8.0 | pKi | = | 8 | Binding | ChEMBL | 406 | 5 | 2 | 3 | 3.6 | O=C1CC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)NN1Cc1ccccc1 | 10.1021/jm00019a006 | ||
| CHEMBL446099 | 178088 | 0 | None | - | 1 | Rat | 8.0 | pKi | = | 8 | Binding | ChEMBL | 406 | 5 | 2 | 3 | 3.6 | O=C1CC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)NN1Cc1ccccc1 | 10.1021/jm00019a006 | ||
| 44281753 | 106593 | 0 | None | 9 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 626 | 11 | 1 | 5 | 7.8 | CO/N=C(\COCc1cc(F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| CHEMBL285476 | 106593 | 0 | None | 9 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 626 | 11 | 1 | 5 | 7.8 | CO/N=C(\COCc1cc(F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| 44353078 | 103368 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 595 | 7 | 5 | 5 | 2.6 | COc1ccc(CC2CNC(=O)CCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N2)cc1 | 10.1021/jm0010217 | ||
| CHEMBL263194 | 103368 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 595 | 7 | 5 | 5 | 2.6 | COc1ccc(CC2CNC(=O)CCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N2)cc1 | 10.1021/jm0010217 | ||
| 10579116 | 123213 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 579 | 7 | 5 | 4 | 3.0 | O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CCc2ccccc2)CN1 | 10.1021/jm0010217 | ||
| CHEMBL336053 | 123213 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 579 | 7 | 5 | 4 | 3.0 | O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CCc2ccccc2)CN1 | 10.1021/jm0010217 | ||
| 10232566 | 10990 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 607 | 12 | 2 | 4 | 6.1 | CN(CCc1c[nH]c2ccccc12)C(=O)c1ccccc1C(=O)N(CCCN1CCSCC1)CCc1c[nH]c2ccccc12 | 10.1016/s0960-894x(02)00539-5 | ||
| CHEMBL100297 | 10990 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 607 | 12 | 2 | 4 | 6.1 | CN(CCc1c[nH]c2ccccc12)C(=O)c1ccccc1C(=O)N(CCCN1CCSCC1)CCc1c[nH]c2ccccc12 | 10.1016/s0960-894x(02)00539-5 | ||
| 44577894 | 179194 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 616 | 12 | 3 | 5 | 4.8 | CC(C)c1ccc(C(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCC3CCN(CC4CCOCC4)CC3)CCCC2)cc1 | 10.1016/j.bmcl.2008.06.102 | ||
| CHEMBL447676 | 179194 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 616 | 12 | 3 | 5 | 4.8 | CC(C)c1ccc(C(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCC3CCN(CC4CCOCC4)CC3)CCCC2)cc1 | 10.1016/j.bmcl.2008.06.102 | ||
| 44577889 | 195034 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 632 | 14 | 3 | 6 | 4.5 | CCCOc1ccc(C(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCC3CCN(CC4CCOCC4)CC3)CCCC2)cc1 | 10.1016/j.bmcl.2008.06.102 | ||
| CHEMBL499689 | 195034 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 632 | 14 | 3 | 6 | 4.5 | CCCOc1ccc(C(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCC3CCN(CC4CCOCC4)CC3)CCCC2)cc1 | 10.1016/j.bmcl.2008.06.102 | ||
| 71461644 | 85672 | 0 | None | -1 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 784 | 10 | 10 | 10 | -0.9 | O=C(C[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)CNC1=O)NC1OC(CO)C(O)C(O)C1O | 10.1016/s0960-894x(01)00841-1 | ||
| CHEMBL2112924 | 85672 | 0 | None | -1 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 784 | 10 | 10 | 10 | -0.9 | O=C(C[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)CNC1=O)NC1OC(CO)C(O)C(O)C1O | 10.1016/s0960-894x(01)00841-1 | ||
| 49863731 | 22102 | 0 | None | -5 | 3 | Rat | 8.0 | pKi | = | 8 | Binding | ChEMBL | 1266 | 18 | 10 | 12 | 6.1 | CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1021/jm100157m | ||
| CHEMBL1214024 | 22102 | 0 | None | -5 | 3 | Rat | 8.0 | pKi | = | 8 | Binding | ChEMBL | 1266 | 18 | 10 | 12 | 6.1 | CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1021/jm100157m | ||
| 44343084 | 17269 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 581 | 7 | 5 | 4 | 3.4 | O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CC2=CC=CCC2)C(=O)N[C@H](CCc2ccccc2)CN1 | 10.1021/jm011127h | ||
| CHEMBL116629 | 17269 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 581 | 7 | 5 | 4 | 3.4 | O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CC2=CC=CCC2)C(=O)N[C@H](CCc2ccccc2)CN1 | 10.1021/jm011127h | ||
| 23625471 | 150648 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 590 | 11 | 2 | 6 | 4.2 | CN(C(=O)c1cc2ccccc2s1)C1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCCC1 | 10.1021/jm070289w | ||
| CHEMBL390174 | 150648 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 590 | 11 | 2 | 6 | 4.2 | CN(C(=O)c1cc2ccccc2s1)C1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCCC1 | 10.1021/jm070289w | ||
| 23625784 | 93038 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 605 | 11 | 4 | 5 | 4.2 | O=C(NCCCN1CCOCC1)[C@@H](Cc1ccccc1)NC(=O)C1(NC(=S)Nc2ccc(Cl)c(Cl)c2)CCCC1 | 10.1021/jm070289w | ||
| CHEMBL231261 | 93038 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 605 | 11 | 4 | 5 | 4.2 | O=C(NCCCN1CCOCC1)[C@@H](Cc1ccccc1)NC(=O)C1(NC(=S)Nc2ccc(Cl)c(Cl)c2)CCCC1 | 10.1021/jm070289w | ||
| 10001491 | 124830 | 0 | None | - | 1 | Rat | 7.0 | pKi | = | 7 | Binding | ChEMBL | 408 | 5 | 1 | 4 | 3.7 | O=C1OC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1Cc1ccncc1 | 10.1021/jm00019a006 | ||
| CHEMBL340405 | 124830 | 0 | None | - | 1 | Rat | 7.0 | pKi | = | 7 | Binding | ChEMBL | 408 | 5 | 1 | 4 | 3.7 | O=C1OC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1Cc1ccncc1 | 10.1021/jm00019a006 | ||
| 11743532 | 124889 | 0 | None | - | 1 | Rat | 7.0 | pKi | = | 7 | Binding | ChEMBL | 432 | 5 | 1 | 4 | 4.2 | N#Cc1ccc(CN2CC3(CCN(CCc4c[nH]c5ccc(F)cc45)CC3)OC2=O)cc1 | 10.1021/jm00019a006 | ||
| CHEMBL340747 | 124889 | 0 | None | - | 1 | Rat | 7.0 | pKi | = | 7 | Binding | ChEMBL | 432 | 5 | 1 | 4 | 4.2 | N#Cc1ccc(CN2CC3(CCN(CCc4c[nH]c5ccc(F)cc45)CC3)OC2=O)cc1 | 10.1021/jm00019a006 | ||
| 10407490 | 175332 | 0 | None | - | 1 | Rat | 7.0 | pKi | = | 7 | Binding | ChEMBL | 381 | 7 | 3 | 3 | 3.5 | OC1(CNCc2ccccc2)CCN(CCc2c[nH]c3ccc(F)cc23)CC1 | 10.1021/jm00019a006 | ||
| CHEMBL435619 | 175332 | 0 | None | - | 1 | Rat | 7.0 | pKi | = | 7 | Binding | ChEMBL | 381 | 7 | 3 | 3 | 3.5 | OC1(CNCc2ccccc2)CCN(CCc2c[nH]c3ccc(F)cc23)CC1 | 10.1021/jm00019a006 | ||
| 44391105 | 72402 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 516 | 12 | 3 | 5 | 3.8 | O=C(Nc1ccc(OCc2ccccc2)cc1)N[C@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 | 10.1016/j.bmcl.2004.11.045 | ||
| CHEMBL183414 | 72402 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 516 | 12 | 3 | 5 | 3.8 | O=C(Nc1ccc(OCc2ccccc2)cc1)N[C@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 | 10.1016/j.bmcl.2004.11.045 | ||
| 44281391 | 106756 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 688 | 11 | 1 | 5 | 9.2 | CO/N=C(\CO/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| CHEMBL286589 | 106756 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 688 | 11 | 1 | 5 | 9.2 | CO/N=C(\CO/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| 44434175 | 95952 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 540 | 15 | 4 | 7 | 2.2 | CC(C)(NC(=O)c1cc2ccccc2s1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCOCCOCCN | 10.1016/j.bmcl.2007.06.053 | ||
| CHEMBL236659 | 95952 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 540 | 15 | 4 | 7 | 2.2 | CC(C)(NC(=O)c1cc2ccccc2s1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCOCCOCCN | 10.1016/j.bmcl.2007.06.053 | ||
| 44434178 | 96085 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 562 | 13 | 3 | 5 | 4.9 | CCN(CC)CCCNC(=O)C(Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1 | 10.1016/j.bmcl.2007.06.053 | ||
| CHEMBL236873 | 96085 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 562 | 13 | 3 | 5 | 4.9 | CCN(CC)CCCNC(=O)C(Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1 | 10.1016/j.bmcl.2007.06.053 | ||
| 44434182 | 96209 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 548 | 12 | 3 | 5 | 4.5 | CCN(CC)CCNC(=O)C(Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1 | 10.1016/j.bmcl.2007.06.053 | ||
| CHEMBL237081 | 96209 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 548 | 12 | 3 | 5 | 4.5 | CCN(CC)CCNC(=O)C(Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1 | 10.1016/j.bmcl.2007.06.053 | ||
| 44434192 | 96210 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 589 | 11 | 3 | 6 | 3.8 | CN1CCN(CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(NC(=O)c3cc4ccccc4s3)CCCCC2)CC1 | 10.1016/j.bmcl.2007.06.053 | ||
| CHEMBL237082 | 96210 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 589 | 11 | 3 | 6 | 3.8 | CN1CCN(CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(NC(=O)c3cc4ccccc4s3)CCCCC2)CC1 | 10.1016/j.bmcl.2007.06.053 | ||
| 44434187 | 96380 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 562 | 10 | 3 | 6 | 3.5 | O=C(NC1(C(=O)NC(Cc2ccccc2)C(=O)NCCN2CCOCC2)CCCCC1)c1cc2ccccc2s1 | 10.1016/j.bmcl.2007.06.053 | ||
| CHEMBL237516 | 96380 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 562 | 10 | 3 | 6 | 3.5 | O=C(NC1(C(=O)NC(Cc2ccccc2)C(=O)NCCN2CCOCC2)CCCCC1)c1cc2ccccc2s1 | 10.1016/j.bmcl.2007.06.053 | ||
| 44434197 | 156005 | 0 | None | 1 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 610 | 11 | 3 | 6 | 4.0 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCc2ccccc21)c1cc2ccccc2s1 | 10.1016/j.bmcl.2007.06.053 | ||
| CHEMBL394419 | 156005 | 0 | None | 1 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 610 | 11 | 3 | 6 | 4.0 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCc2ccccc21)c1cc2ccccc2s1 | 10.1016/j.bmcl.2007.06.053 | ||
| 44434179 | 173832 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 562 | 14 | 4 | 5 | 5.1 | NCCCCCCCNC(=O)C(Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1 | 10.1016/j.bmcl.2007.06.053 | ||
| CHEMBL428906 | 173832 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 562 | 14 | 4 | 5 | 5.1 | NCCCCCCCNC(=O)C(Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1 | 10.1016/j.bmcl.2007.06.053 | ||
| 44301551 | 108584 | 0 | None | - | 1 | Rat | 6.0 | pKi | = | 6 | Binding | ChEMBL | 342 | 8 | 3 | 3 | 3.2 | Cc1ccccc1OCC(O)CNCCc1c[nH]c2ccc(F)cc12 | 10.1016/S0960-894X(01)80541-2 | ||
| CHEMBL300174 | 108584 | 0 | None | - | 1 | Rat | 6.0 | pKi | = | 6 | Binding | ChEMBL | 342 | 8 | 3 | 3 | 3.2 | Cc1ccccc1OCC(O)CNCCc1c[nH]c2ccc(F)cc12 | 10.1016/S0960-894X(01)80541-2 | ||
| 44391061 | 71631 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 502 | 11 | 3 | 5 | 4.1 | O=C(Nc1ccc(Oc2ccccc2)cc1)N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 | 10.1016/j.bmcl.2004.11.045 | ||
| CHEMBL182104 | 71631 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 502 | 11 | 3 | 5 | 4.1 | O=C(Nc1ccc(Oc2ccccc2)cc1)N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 | 10.1016/j.bmcl.2004.11.045 | ||
| 23625323 | 99138 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 522 | 11 | 2 | 6 | 2.5 | CN(CC(=O)N[C@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1)C(=O)c1cc2ccccc2s1 | 10.1021/jm070289w | ||
| CHEMBL243069 | 99138 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 522 | 11 | 2 | 6 | 2.5 | CN(CC(=O)N[C@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1)C(=O)c1cc2ccccc2s1 | 10.1021/jm070289w | ||
| 44391019 | 70654 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 529 | 12 | 2 | 5 | 4.1 | CC(C)(Oc1cccc(-c2ccccc2)c1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 | 10.1016/j.bmcl.2004.11.045 | ||
| CHEMBL180396 | 70654 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 529 | 12 | 2 | 5 | 4.1 | CC(C)(Oc1cccc(-c2ccccc2)c1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 | 10.1016/j.bmcl.2004.11.045 | ||
| 51351496 | 67382 | 7 | None | -18 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 410 | 4 | 0 | 5 | 3.7 | COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)nn2C)CC1 | 10.1016/j.bmcl.2011.02.033 | ||
| CHEMBL1760205 | 67382 | 7 | None | -18 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 410 | 4 | 0 | 5 | 3.7 | COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)nn2C)CC1 | 10.1016/j.bmcl.2011.02.033 | ||
| 90417914 | 125643 | 0 | None | -3235 | 5 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 433 | 4 | 0 | 7 | 5.0 | CC(C)c1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)co1 | 10.1021/jm5017413 | ||
| CHEMBL3422015 | 125643 | 0 | None | -3235 | 5 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 433 | 4 | 0 | 7 | 5.0 | CC(C)c1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)co1 | 10.1021/jm5017413 | ||
| 44434159 | 152575 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 562 | 11 | 4 | 5 | 4.1 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1)C(N)=O | 10.1016/j.bmcl.2007.06.053 | ||
| CHEMBL391696 | 152575 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 562 | 11 | 4 | 5 | 4.1 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1)C(N)=O | 10.1016/j.bmcl.2007.06.053 | ||
| 44392497 | 71783 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 535 | 7 | 0 | 3 | 6.1 | O=C1CC[C@](CCN2CC(N3CCC(F)CC3)C2)(c2ccc(Cl)c(Cl)c2)CN1C1(C2CC2)CCCC1 | 10.1016/j.bmcl.2005.05.134 | ||
| CHEMBL182317 | 71783 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 535 | 7 | 0 | 3 | 6.1 | O=C1CC[C@](CCN2CC(N3CCC(F)CC3)C2)(c2ccc(Cl)c(Cl)c2)CN1C1(C2CC2)CCCC1 | 10.1016/j.bmcl.2005.05.134 | ||
| 57391133 | 75142 | 0 | None | -1 | 2 | Human | 4.0 | pKi | = | 4 | Binding | ChEMBL | 691 | 12 | 3 | 7 | 4.4 | COC(=O)C1=C2CCC(C(=O)N[C@@H](CCc3c[nH]c4ccccc34)C(=O)N(C)Cc3ccccc3)N2C(=O)C(NC(=O)OCc2ccccc2)C1 | 10.1016/j.ejmech.2011.08.042 | ||
| CHEMBL1916635 | 75142 | 0 | None | -1 | 2 | Human | 4.0 | pKi | = | 4 | Binding | ChEMBL | 691 | 12 | 3 | 7 | 4.4 | COC(=O)C1=C2CCC(C(=O)N[C@@H](CCc3c[nH]c4ccccc34)C(=O)N(C)Cc3ccccc3)N2C(=O)C(NC(=O)OCc2ccccc2)C1 | 10.1016/j.ejmech.2011.08.042 | ||
| 2098 | 10466 | 36 | None | -457 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | ||||
| 36511 | 10466 | 36 | None | -457 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | ||||
| 3805 | 10466 | 36 | None | -457 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | ||||
| 3835 | 10466 | 36 | None | -457 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | ||||
| CHEMBL235363 | 10466 | 36 | None | -457 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | ||||
| 10232846 | 120893 | 0 | None | -11 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 623 | 7 | 2 | 3 | 6.1 | CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](/C=C/C(=O)N[C@H]1CCCCNC1=O)Cc1ccc(Cl)c(Cl)c1 | 10.1021/jm030786m | ||
| CHEMBL332793 | 120893 | 0 | None | -11 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 623 | 7 | 2 | 3 | 6.1 | CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](/C=C/C(=O)N[C@H]1CCCCNC1=O)Cc1ccc(Cl)c(Cl)c1 | 10.1021/jm030786m | ||
| CHEMBL411905 | 219741 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](C)/N=C(/S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(N)=O | 10.1021/jm00039a012 | ||||
| 44380763 | 126811 | 0 | None | -1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 690 | 12 | 1 | 5 | 9.1 | CCO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| CHEMBL350360 | 126811 | 0 | None | -1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 690 | 12 | 1 | 5 | 9.1 | CCO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| 5353853 | 24758 | 47 | None | -14 | 15 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
| 9556529 | 24758 | 47 | None | -14 | 15 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
| CHEMBL1262 | 24758 | 47 | None | -14 | 15 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
| 25221995 | 203630 | 0 | None | -40 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 601 | 8 | 0 | 3 | 6.5 | CN(Cc1ccc(F)c(C(F)(F)F)c1)C(=O)C(C)(CCN1CCC(N2CCCC2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1021/jm900948q | ||
| CHEMBL565894 | 203630 | 0 | None | -40 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 601 | 8 | 0 | 3 | 6.5 | CN(Cc1ccc(F)c(C(F)(F)F)c1)C(=O)C(C)(CCN1CCC(N2CCCC2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1021/jm900948q | ||
| 10010096 | 106666 | 0 | None | -1 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 719 | 10 | 1 | 6 | 8.6 | CO/N=C(\CN(C)C(=O)Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| CHEMBL285986 | 106666 | 0 | None | -1 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 719 | 10 | 1 | 6 | 8.6 | CO/N=C(\CN(C)C(=O)Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| 44215303 | 125740 | 0 | None | 1 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 710 | 12 | 1 | 6 | 7.4 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(N2CCCC(C(N)=O)C2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00702-2 | ||
| CHEMBL342341 | 125740 | 0 | None | 1 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 710 | 12 | 1 | 6 | 7.4 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(N2CCCC(C(N)=O)C2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00702-2 | ||
| 44363952 | 127789 | 0 | None | 1 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 696 | 12 | 1 | 6 | 7.1 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(N2CCC[C@H]2C(N)=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00702-2 | ||
| CHEMBL356508 | 127789 | 0 | None | 1 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 696 | 12 | 1 | 6 | 7.1 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(N2CCC[C@H]2C(N)=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00702-2 | ||
| 44380069 | 64391 | 0 | None | -1 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 714 | 14 | 0 | 6 | 8.1 | CSCCCO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| CHEMBL166842 | 64391 | 0 | None | -1 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 714 | 14 | 0 | 6 | 8.1 | CSCCCO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| 44266459 | 11293 | 0 | None | -91 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 381 | 5 | 2 | 3 | 5.4 | CC[C@@H](NC(=O)c1c(N)c(-c2ccccc2)nc2ccccc12)c1ccccc1 | 10.1021/jm980633c | ||
| CHEMBL10224 | 11293 | 0 | None | -91 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 381 | 5 | 2 | 3 | 5.4 | CC[C@@H](NC(=O)c1c(N)c(-c2ccccc2)nc2ccccc12)c1ccccc1 | 10.1021/jm980633c | ||
| 44281392 | 106734 | 0 | None | -3 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 690 | 12 | 1 | 5 | 8.8 | CO/N=C(\COCCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| CHEMBL286433 | 106734 | 0 | None | -3 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 690 | 12 | 1 | 5 | 8.8 | CO/N=C(\COCCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| 44281722 | 118168 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 590 | 11 | 1 | 5 | 7.8 | CO/N=C(\COCc1ccc2ccccc2c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| CHEMBL32717 | 118168 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 590 | 11 | 1 | 5 | 7.8 | CO/N=C(\COCc1ccc2ccccc2c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| 44215305 | 126032 | 0 | None | -1 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 695 | 12 | 0 | 5 | 8.4 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(CN2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00702-2 | ||
| CHEMBL343627 | 126032 | 0 | None | -1 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 695 | 12 | 0 | 5 | 8.4 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(CN2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00702-2 | ||
| 10002284 | 23653 | 0 | None | - | 1 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 421 | 5 | 1 | 3 | 4.6 | Cc1ccccc1CN1CC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)OC1=O | 10.1021/jm00019a006 | ||
| CHEMBL125001 | 23653 | 0 | None | - | 1 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 421 | 5 | 1 | 3 | 4.6 | Cc1ccccc1CN1CC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)OC1=O | 10.1021/jm00019a006 | ||
| 44434168 | 95528 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 580 | 15 | 4 | 7 | 3.2 | NCCOCCOCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1 | 10.1016/j.bmcl.2007.06.053 | ||
| CHEMBL236250 | 95528 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 580 | 15 | 4 | 7 | 3.2 | NCCOCCOCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1 | 10.1016/j.bmcl.2007.06.053 | ||
| 90663622 | 113486 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 614 | 15 | 4 | 7 | 3.3 | NCCOCCOCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCc2ccccc21 | 10.1016/j.bmcl.2007.06.053 | ||
| CHEMBL3143848 | 113486 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 614 | 15 | 4 | 7 | 3.3 | NCCOCCOCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCc2ccccc21 | 10.1016/j.bmcl.2007.06.053 | ||
| 44577891 | 195455 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 646 | 15 | 3 | 6 | 4.9 | CCCCOc1ccc(C(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCC3CCN(CC4CCOCC4)CC3)CCCC2)cc1 | 10.1016/j.bmcl.2008.06.102 | ||
| CHEMBL503837 | 195455 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 646 | 15 | 3 | 6 | 4.9 | CCCCOc1ccc(C(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCC3CCN(CC4CCOCC4)CC3)CCCC2)cc1 | 10.1016/j.bmcl.2008.06.102 | ||
| 23625633 | 99355 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 599 | 11 | 4 | 5 | 3.4 | O=C(Nc1ccc(Br)cc1)NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1 | 10.1021/jm070289w | ||
| CHEMBL243502 | 99355 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 599 | 11 | 4 | 5 | 3.4 | O=C(Nc1ccc(Br)cc1)NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1 | 10.1021/jm070289w | ||
| 44342868 | 17333 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 680 | 10 | 7 | 6 | 1.5 | O=C(O)CCC(=O)N[C@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O | 10.1021/jm011127h | ||
| CHEMBL116969 | 17333 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 680 | 10 | 7 | 6 | 1.5 | O=C(O)CCC(=O)N[C@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O | 10.1021/jm011127h | ||
| 44342903 | 117085 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 597 | 7 | 5 | 5 | 3.0 | COc1ccc(C[C@@H]2CNC(=O)CCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CC3=CC=CCC3)C(=O)N2)cc1 | 10.1021/jm011127h | ||
| CHEMBL323836 | 117085 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 597 | 7 | 5 | 5 | 3.0 | COc1ccc(C[C@@H]2CNC(=O)CCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CC3=CC=CCC3)C(=O)N2)cc1 | 10.1021/jm011127h | ||
| CHEMBL431641 | 220405 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | None | None | None | CC(C)CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(C)C)C(N)=O | 10.1021/jm9807151 | ||||
| 44390541 | 70813 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 558 | 11 | 3 | 5 | 5.3 | CC(C)(C)c1ccc(Oc2ccc(NC(=O)N[C@H](Cc3ccccc3)C(=O)NCCCN3CCOCC3)cc2)cc1 | 10.1016/j.bmcl.2004.11.045 | ||
| CHEMBL180725 | 70813 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 558 | 11 | 3 | 5 | 5.3 | CC(C)(C)c1ccc(Oc2ccc(NC(=O)N[C@H](Cc3ccccc3)C(=O)NCCCN3CCOCC3)cc2)cc1 | 10.1016/j.bmcl.2004.11.045 | ||
| 44391089 | 71050 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 516 | 12 | 3 | 5 | 3.8 | O=C(Nc1ccc(OCc2ccccc2)cc1)N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 | 10.1016/j.bmcl.2004.11.045 | ||
| CHEMBL180942 | 71050 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 516 | 12 | 3 | 5 | 3.8 | O=C(Nc1ccc(OCc2ccccc2)cc1)N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 | 10.1016/j.bmcl.2004.11.045 | ||
| CHEMBL5092328 | 222138 | 5 | None | 6 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | CCS(=O)(=O)[C@]1(C)CC[C@@](CF)(c2cc(NC(=O)c3cc4c(cn3)OC(F)(F)O4)ccc2F)N=C1N | 10.1021/acs.jmedchem.1c00935 | ||||
| 8867347 | 67377 | 5 | None | -10 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 362 | 4 | 1 | 4 | 3.0 | COc1ccccc1N1CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)CC1 | 10.1016/j.bmcl.2011.02.033 | ||
| CHEMBL1760200 | 67377 | 5 | None | -10 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 362 | 4 | 1 | 4 | 3.0 | COc1ccccc1N1CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)CC1 | 10.1016/j.bmcl.2011.02.033 | ||
| 44305793 | 107622 | 0 | None | -5 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 662 | 10 | 2 | 5 | 8.5 | O/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00463-7 | ||
| CHEMBL293432 | 107622 | 0 | None | -5 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 662 | 10 | 2 | 5 | 8.5 | O/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00463-7 | ||
| 6604014 | 214627 | 7 | None | -28 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 396 | 5 | 1 | 4 | 4.5 | COC(=O)[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 | 10.1021/jm9602423 | ||
| CHEMBL9643 | 214627 | 7 | None | -28 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 396 | 5 | 1 | 4 | 4.5 | COC(=O)[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 | 10.1021/jm9602423 | ||
| 5764 | 10270 | 46 | None | -58 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 396 | 5 | 1 | 4 | 4.5 | COC(=O)[C@@H](c1ccccc1)NC(=O)c1cc(nc2c1cccc2)c1ccccc1 | 10.1021/jm960818o | ||
| 6604858 | 10270 | 46 | None | -58 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 396 | 5 | 1 | 4 | 4.5 | COC(=O)[C@@H](c1ccccc1)NC(=O)c1cc(nc2c1cccc2)c1ccccc1 | 10.1021/jm960818o | ||
| CHEMBL9843 | 10270 | 46 | None | -58 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 396 | 5 | 1 | 4 | 4.5 | COC(=O)[C@@H](c1ccccc1)NC(=O)c1cc(nc2c1cccc2)c1ccccc1 | 10.1021/jm960818o | ||
| 1016 | 10519 | 78 | None | -16 | 35 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| 2561 | 10519 | 78 | None | -16 | 35 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| 2733526 | 10519 | 78 | None | -16 | 35 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| 5384 | 10519 | 78 | None | -16 | 35 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| CHEMBL83 | 10519 | 78 | None | -16 | 35 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| DB00675 | 10519 | 78 | None | -16 | 35 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| 23625473 | 173554 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 540 | 11 | 3 | 5 | 2.9 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1cccc(Cl)c1 | 10.1021/jm070289w | ||
| CHEMBL428394 | 173554 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 540 | 11 | 3 | 5 | 2.9 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1cccc(Cl)c1 | 10.1021/jm070289w | ||
| 19610193 | 114009 | 0 | None | -1 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 654 | 10 | 1 | 7 | 5.3 | COc1cc(C(=O)N2CCN(C(=O)CNC3CCN(Cc4ccccc4)CC3)C(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC | 10.1016/s0960-894x(02)00645-5 | ||
| CHEMBL316740 | 114009 | 0 | None | -1 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 654 | 10 | 1 | 7 | 5.3 | COc1cc(C(=O)N2CCN(C(=O)CNC3CCN(Cc4ccccc4)CC3)C(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC | 10.1016/s0960-894x(02)00645-5 | ||
| 10454808 | 175329 | 0 | None | - | 1 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 420 | 5 | 2 | 3 | 3.4 | O=C1NC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)C(=O)N1Cc1ccccc1 | 10.1021/jm00019a006 | ||
| CHEMBL435610 | 175329 | 0 | None | - | 1 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 420 | 5 | 2 | 3 | 3.4 | O=C1NC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)C(=O)N1Cc1ccccc1 | 10.1021/jm00019a006 | ||
| 44331223 | 215170 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 706 | 16 | 2 | 8 | 4.3 | O=C(c1nccnc1C(=O)N(CCCN1CCOCC1)CCc1c[nH]c2ccccc12)N(CCCN1CCOCC1)CCc1c[nH]c2ccccc12 | 10.1016/s0960-894x(02)00539-5 | ||
| CHEMBL99608 | 215170 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 706 | 16 | 2 | 8 | 4.3 | O=C(c1nccnc1C(=O)N(CCCN1CCOCC1)CCc1c[nH]c2ccccc12)N(CCCN1CCOCC1)CCc1c[nH]c2ccccc12 | 10.1016/s0960-894x(02)00539-5 | ||
| 44434169 | 95818 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 568 | 10 | 4 | 5 | 4.8 | NCc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(NC(=O)c3cc4ccccc4s3)CCCCC2)cc1 | 10.1016/j.bmcl.2007.06.053 | ||
| CHEMBL236458 | 95818 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 568 | 10 | 4 | 5 | 4.8 | NCc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(NC(=O)c3cc4ccccc4s3)CCCCC2)cc1 | 10.1016/j.bmcl.2007.06.053 | ||
| 44434181 | 96088 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 576 | 15 | 4 | 5 | 5.5 | NCCCCCCCCNC(=O)C(Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1 | 10.1016/j.bmcl.2007.06.053 | ||
| CHEMBL236874 | 96088 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 576 | 15 | 4 | 5 | 5.5 | NCCCCCCCCNC(=O)C(Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1 | 10.1016/j.bmcl.2007.06.053 | ||
| 10995343 | 27618 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 565 | 6 | 5 | 4 | 2.6 | O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC(Cc2ccccc2)CN1 | 10.1021/jm0010217 | ||
| CHEMBL131024 | 27618 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 565 | 6 | 5 | 4 | 2.6 | O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC(Cc2ccccc2)CN1 | 10.1021/jm0010217 | ||
| 10554969 | 85275 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 565 | 6 | 5 | 4 | 2.6 | O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC[C@H](Cc2ccccc2)N1 | 10.1021/jm0010217 | ||
| CHEMBL2111858 | 85275 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 565 | 6 | 5 | 4 | 2.6 | O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC[C@H](Cc2ccccc2)N1 | 10.1021/jm0010217 | ||
| 11801084 | 85558 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 565 | 6 | 5 | 4 | 2.6 | O=C1CCC(=O)N[C@H](Cc2ccccc2)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm0010217 | ||
| CHEMBL2112669 | 85558 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 565 | 6 | 5 | 4 | 2.6 | O=C1CCC(=O)N[C@H](Cc2ccccc2)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm0010217 | ||
| 10576528 | 117262 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 475 | 4 | 5 | 4 | 0.9 | O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCN1 | 10.1021/jm0010217 | ||
| CHEMBL324804 | 117262 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 475 | 4 | 5 | 4 | 0.9 | O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCN1 | 10.1021/jm0010217 | ||
| 10576528 | 117262 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 475 | 4 | 5 | 4 | 0.9 | O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCN1 | 10.1021/jm011127h | ||
| CHEMBL324804 | 117262 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 475 | 4 | 5 | 4 | 0.9 | O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCN1 | 10.1021/jm011127h | ||
| 71533722 | 125638 | 0 | None | -933 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 421 | 3 | 0 | 7 | 4.7 | Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 | 10.1021/jm5017413 | ||
| CHEMBL3422010 | 125638 | 0 | None | -933 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 421 | 3 | 0 | 7 | 4.7 | Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 | 10.1021/jm5017413 | ||
| 71549769 | 125646 | 0 | None | -3981 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 422 | 3 | 0 | 8 | 4.1 | Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 | 10.1021/jm5017413 | ||
| CHEMBL3422018 | 125646 | 0 | None | -3981 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 422 | 3 | 0 | 8 | 4.1 | Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 | 10.1021/jm5017413 | ||
| 44312761 | 110354 | 0 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 576 | 12 | 0 | 8 | 6.0 | CCOC(=O)C1=C(C)OC2OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2S1 | 10.1016/s0960-894x(02)00471-7 | ||
| CHEMBL308613 | 110354 | 0 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 576 | 12 | 0 | 8 | 6.0 | CCOC(=O)C1=C(C)OC2OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2S1 | 10.1016/s0960-894x(02)00471-7 | ||
| 44312564 | 211341 | 0 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 486 | 9 | 1 | 8 | 3.8 | CCOC(=O)C1=C(C)OC2OC(COCc3ccccc3)C(OCc3ccccc3)C(O)C2S1 | 10.1016/s0960-894x(02)00471-7 | ||
| CHEMBL72979 | 211341 | 0 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 486 | 9 | 1 | 8 | 3.8 | CCOC(=O)C1=C(C)OC2OC(COCc3ccccc3)C(OCc3ccccc3)C(O)C2S1 | 10.1016/s0960-894x(02)00471-7 | ||
| 1836 | 9370 | 59 | None | -40 | 15 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | ||
| 3340 | 9370 | 59 | None | -40 | 15 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | ||
| 5281040 | 9370 | 59 | None | -40 | 15 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | ||
| CHEMBL787 | 9370 | 59 | None | -40 | 15 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | ||
| DB00471 | 9370 | 59 | None | -40 | 15 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | ||
| 44314834 | 211928 | 0 | None | -2 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 667 | 11 | 0 | 5 | 8.7 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(C2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00464-9 | ||
| CHEMBL78092 | 211928 | 0 | None | -2 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 667 | 11 | 0 | 5 | 8.7 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(C2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00464-9 | ||
| 44281359 | 117346 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 546 | 11 | 1 | 5 | 7.1 | CO/N=C(\COCC1CCCCC1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| CHEMBL32533 | 117346 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 546 | 11 | 1 | 5 | 7.1 | CO/N=C(\COCC1CCCCC1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| 9987474 | 211612 | 0 | None | 1 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 726 | 13 | 1 | 7 | 6.2 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N2CC[C@H](CO)C2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00464-9 | ||
| CHEMBL75436 | 211612 | 0 | None | 1 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 726 | 13 | 1 | 7 | 6.2 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N2CC[C@H](CO)C2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00464-9 | ||
| 22405758 | 203845 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 476 | 9 | 1 | 3 | 5.7 | CCC(O)C1CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/s0960-894x(98)00037-7 | ||
| CHEMBL56739 | 203845 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 476 | 9 | 1 | 3 | 5.7 | CCC(O)C1CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/s0960-894x(98)00037-7 | ||
| 44390601 | 71049 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 536 | 11 | 3 | 5 | 4.5 | O=C(Nc1ccc(Sc2ccc(F)cc2)cc1)N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 | 10.1016/j.bmcl.2004.11.045 | ||
| CHEMBL180940 | 71049 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 536 | 11 | 3 | 5 | 4.5 | O=C(Nc1ccc(Sc2ccc(F)cc2)cc1)N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 | 10.1016/j.bmcl.2004.11.045 | ||
| 44281785 | 118140 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 652 | 11 | 1 | 5 | 9.3 | CO/N=C(\COCc1cc(C(C)(C)C)cc(C(C)(C)C)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| CHEMBL32700 | 118140 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 652 | 11 | 1 | 5 | 9.3 | CO/N=C(\COCc1cc(C(C)(C)C)cc(C(C)(C)C)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| 44282004 | 128539 | 0 | None | -2 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 675 | 11 | 2 | 5 | 8.3 | CO/N=C(\CNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| CHEMBL35891 | 128539 | 0 | None | -2 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 675 | 11 | 2 | 5 | 8.3 | CO/N=C(\CNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| 51351504 | 67383 | 1 | None | -34 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 410 | 4 | 0 | 5 | 3.7 | COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n(C)n2)CC1 | 10.1016/j.bmcl.2011.02.033 | ||
| CHEMBL1760206 | 67383 | 1 | None | -34 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 410 | 4 | 0 | 5 | 3.7 | COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n(C)n2)CC1 | 10.1016/j.bmcl.2011.02.033 | ||
| 2351 | 10059 | 64 | None | -13 | 21 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
| 2820 | 10059 | 64 | None | -13 | 21 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
| 5035 | 10059 | 64 | None | -13 | 21 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
| CHEMBL81 | 10059 | 64 | None | -13 | 21 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
| DB00481 | 10059 | 64 | None | -13 | 21 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
| 132837 | 9018 | 55 | None | -18 | 5 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 472 | 6 | 2 | 3 | 5.0 | CC(=O)N[C@H](C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)Cc1c[nH]c2c1cccc2 | 10.1021/jm100157m | ||
| 9461 | 9018 | 55 | None | -18 | 5 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 472 | 6 | 2 | 3 | 5.0 | CC(=O)N[C@H](C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)Cc1c[nH]c2c1cccc2 | 10.1021/jm100157m | ||
| CHEMBL22870 | 9018 | 55 | None | -18 | 5 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 472 | 6 | 2 | 3 | 5.0 | CC(=O)N[C@H](C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)Cc1c[nH]c2c1cccc2 | 10.1021/jm100157m | ||
| 133 | 9274 | 52 | None | -165 | 43 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
| 1723 | 9274 | 52 | None | -165 | 43 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
| 28693 | 9274 | 52 | None | -165 | 43 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
| CHEMBL19215 | 9274 | 52 | None | -165 | 43 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
| DB13520 | 9274 | 52 | None | -165 | 43 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
| 44281397 | 169747 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 554 | 11 | 1 | 5 | 7.0 | CO/N=C(\COCc1ccccc1C)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| CHEMBL417490 | 169747 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 554 | 11 | 1 | 5 | 7.0 | CO/N=C(\COCc1ccccc1C)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| 44364001 | 46678 | 0 | None | -1 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 717 | 13 | 1 | 5 | 8.9 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(CNC(=O)c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00702-2 | ||
| CHEMBL147767 | 46678 | 0 | None | -1 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 717 | 13 | 1 | 5 | 8.9 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(CNC(=O)c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00702-2 | ||
| 3598 | 194600 | 76 | None | -1 | 7 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 404 | 2 | 2 | 2 | 6.6 | Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl | nan | ||
| CHEMBL496 | 194600 | 76 | None | -1 | 7 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 404 | 2 | 2 | 2 | 6.6 | Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl | nan | ||
| 1024 | 8072 | 71 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | None | nan | ||||
| 162639143 | 8072 | 71 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | None | nan | ||||
| 5284373 | 8072 | 71 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | None | nan | ||||
| 760 | 8072 | 71 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | None | nan | ||||
| CHEMBL160 | 8072 | 71 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | None | nan | ||||
| DB00091 | 8072 | 71 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | None | nan | ||||
| 44380732 | 65766 | 0 | None | 1 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 706 | 13 | 2 | 6 | 8.1 | OCCO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| CHEMBL169002 | 65766 | 0 | None | 1 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 706 | 13 | 2 | 6 | 8.1 | OCCO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| 44337371 | 12063 | 0 | None | -4 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 720 | 7 | 1 | 4 | 6.8 | O=C(c1cc(Br)cc(Br)c1)N1CCN(C(=O)CNC2CCN(Cc3ccccc3)CC2)C(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/s0960-894x(02)00645-5 | ||
| CHEMBL106572 | 12063 | 0 | None | -4 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 720 | 7 | 1 | 4 | 6.8 | O=C(c1cc(Br)cc(Br)c1)N1CCN(C(=O)CNC2CCN(Cc3ccccc3)CC2)C(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/s0960-894x(02)00645-5 | ||
| 44337288 | 14817 | 0 | None | -1 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 632 | 7 | 1 | 4 | 6.6 | O=C(c1cc(Cl)cc(Cl)c1)N1CCN(C(=O)CNC2CCN(Cc3ccccc3)CC2)C(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/s0960-894x(02)00645-5 | ||
| CHEMBL109092 | 14817 | 0 | None | -1 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 632 | 7 | 1 | 4 | 6.6 | O=C(c1cc(Cl)cc(Cl)c1)N1CCN(C(=O)CNC2CCN(Cc3ccccc3)CC2)C(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/s0960-894x(02)00645-5 | ||
| 44281345 | 117257 | 0 | None | 10 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 554 | 11 | 1 | 5 | 7.0 | CO/N=C(\COCc1cccc(C)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| CHEMBL32477 | 117257 | 0 | None | 10 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 554 | 11 | 1 | 5 | 7.0 | CO/N=C(\COCc1cccc(C)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| 44215306 | 43948 | 0 | None | -1 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 725 | 14 | 1 | 6 | 8.7 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(CN2CCCCC2CCO)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00702-2 | ||
| CHEMBL145302 | 43948 | 0 | None | -1 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 725 | 14 | 1 | 6 | 8.7 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(CN2CCCCC2CCO)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00702-2 | ||
| 23625475 | 99338 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 632 | 11 | 3 | 5 | 2.9 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1ccc(I)cc1 | 10.1021/jm070289w | ||
| CHEMBL243280 | 99338 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 632 | 11 | 3 | 5 | 2.9 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1ccc(I)cc1 | 10.1021/jm070289w | ||
| 155565189 | 182344 | 0 | None | 2 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 634 | 7 | 0 | 9 | 6.2 | CC(C)CCO[C@H]1[C@H]2CCN(CCc3ccc4ccccc4c3)CCCCCCOCc3cn(nn3)C[C@@H](O2)[C@@H]2OC(C)(C)O[C@H]12 | 10.1016/j.ejmech.2019.04.064 | ||
| CHEMBL4579120 | 182344 | 0 | None | 2 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 634 | 7 | 0 | 9 | 6.2 | CC(C)CCO[C@H]1[C@H]2CCN(CCc3ccc4ccccc4c3)CCCCCCOCc3cn(nn3)C[C@@H](O2)[C@@H]2OC(C)(C)O[C@H]12 | 10.1016/j.ejmech.2019.04.064 | ||
| 71533722 | 125638 | 0 | None | -933 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 421 | 3 | 0 | 7 | 4.7 | Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 | nan | ||
| CHEMBL3422010 | 125638 | 0 | None | -933 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 421 | 3 | 0 | 7 | 4.7 | Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 | nan | ||
| 44300668 | 204604 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 448 | 8 | 1 | 3 | 4.9 | CN(CC(CCN1CCC(CO)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 | 10.1016/s0960-894x(98)00037-7 | ||
| CHEMBL57224 | 204604 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 448 | 8 | 1 | 3 | 4.9 | CN(CC(CCN1CCC(CO)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 | 10.1016/s0960-894x(98)00037-7 | ||
| CHEMBL102128 | 215233 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | CC(C)CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(C)C)C(N)=O | 10.1021/jm9807151 | ||||
| 2132 | 10516 | 58 | None | -97 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 382 | 5 | 2 | 3 | 5.5 | CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 | 10.1021/jm9602423 | ||
| 5311424 | 10516 | 58 | None | -97 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 382 | 5 | 2 | 3 | 5.5 | CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 | 10.1021/jm9602423 | ||
| CHEMBL10188 | 10516 | 58 | None | -97 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 382 | 5 | 2 | 3 | 5.5 | CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 | 10.1021/jm9602423 | ||
| 44363756 | 46611 | 0 | None | -8 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 703 | 12 | 1 | 5 | 8.6 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(NC(=O)c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00702-2 | ||
| CHEMBL147715 | 46611 | 0 | None | -8 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 703 | 12 | 1 | 5 | 8.6 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(NC(=O)c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00702-2 | ||
| 10691318 | 174392 | 4 | None | -102 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 382 | 5 | 2 | 3 | 5.5 | CC[C@@H](NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1 | 10.1021/jm980633c | ||
| CHEMBL430118 | 174392 | 4 | None | -102 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 382 | 5 | 2 | 3 | 5.5 | CC[C@@H](NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1 | 10.1021/jm980633c | ||
| 2132 | 10516 | 58 | None | -97 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 382 | 5 | 2 | 3 | 5.5 | CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 | 10.1021/jm000501v | ||
| 5311424 | 10516 | 58 | None | -97 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 382 | 5 | 2 | 3 | 5.5 | CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 | 10.1021/jm000501v | ||
| CHEMBL10188 | 10516 | 58 | None | -97 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 382 | 5 | 2 | 3 | 5.5 | CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 | 10.1021/jm000501v | ||
| 44363877 | 45924 | 0 | None | -3 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 709 | 12 | 1 | 5 | 8.9 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(NC(=O)C2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00702-2 | ||
| CHEMBL146947 | 45924 | 0 | None | -3 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 709 | 12 | 1 | 5 | 8.9 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(NC(=O)C2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00702-2 | ||
| 44281538 | 117090 | 0 | None | -1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 696 | 11 | 1 | 5 | 8.2 | CO/N=C(\COCc1cc(Br)cc(Br)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| CHEMBL32385 | 117090 | 0 | None | -1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 696 | 11 | 1 | 5 | 8.2 | CO/N=C(\COCc1cc(Br)cc(Br)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| 44363442 | 44714 | 0 | None | -1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 697 | 12 | 1 | 6 | 8.0 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(N2CCCCC2CO)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00702-2 | ||
| CHEMBL145959 | 44714 | 0 | None | -1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 697 | 12 | 1 | 6 | 8.0 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(N2CCCCC2CO)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00702-2 | ||
| 44329517 | 215056 | 0 | None | 36 | 2 | Golden hamster | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 387 | 4 | 1 | 6 | 3.1 | CC(C)N1Cc2c(Nc3ccc(Cl)cc3)nc(N3CCOCC3)nc2C1=O | 10.1016/0960-894X(95)00502-K | ||
| CHEMBL98929 | 215056 | 0 | None | 36 | 2 | Golden hamster | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 387 | 4 | 1 | 6 | 3.1 | CC(C)N1Cc2c(Nc3ccc(Cl)cc3)nc(N3CCOCC3)nc2C1=O | 10.1016/0960-894X(95)00502-K | ||
| 10001490 | 168722 | 0 | None | - | 1 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 408 | 5 | 1 | 4 | 3.7 | O=C1OC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1Cc1ccccn1 | 10.1021/jm00019a006 | ||
| CHEMBL415518 | 168722 | 0 | None | - | 1 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 408 | 5 | 1 | 4 | 3.7 | O=C1OC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1Cc1ccccn1 | 10.1021/jm00019a006 | ||
| 44577910 | 194990 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 606 | 12 | 3 | 6 | 4.2 | O=C(/C=C/c1cccs1)NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCC2CCN(CC3CCOCC3)CC2)CCCC1 | 10.1016/j.bmcl.2008.06.102 | ||
| CHEMBL499153 | 194990 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 606 | 12 | 3 | 6 | 4.2 | O=C(/C=C/c1cccs1)NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCC2CCN(CC3CCOCC3)CC2)CCCC1 | 10.1016/j.bmcl.2008.06.102 | ||
| 2090 | 9543 | 25 | None | -38 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm5017413 | ||||
| 5311312 | 9543 | 25 | None | -38 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm5017413 | ||||
| CHEMBL437797 | 9543 | 25 | None | -38 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm5017413 | ||||
| 11421866 | 143992 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 580 | 6 | 6 | 5 | 1.5 | N[C@@H]1CC(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm040832y | ||
| CHEMBL375053 | 143992 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 580 | 6 | 6 | 5 | 1.5 | N[C@@H]1CC(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm040832y | ||
| 46236800 | 13555 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 616 | 11 | 2 | 6 | 5.4 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCN4CCN(CC5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| CHEMBL1083862 | 13555 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 616 | 11 | 2 | 6 | 5.4 | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCN4CCN(CC5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 | 10.1021/jm100176s | ||
| 1752 | 52535 | 59 | None | -1 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 220 | 8 | 1 | 1 | 4.7 | CCCCCCCCCc1ccc(O)cc1 | nan | ||
| CHEMBL153062 | 52535 | 59 | None | -1 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 220 | 8 | 1 | 1 | 4.7 | CCCCCCCCCc1ccc(O)cc1 | nan | ||
| 1548953 | 214458 | 27 | None | -7 | 17 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 | nan | ||
| CHEMBL954 | 214458 | 27 | None | -7 | 17 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 | nan | ||
| CHEMBL1201469 | 21279 | 0 | None | 1 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | None | nan | ||||
| 2406 | 107180 | 89 | None | -16 | 12 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 354 | 2 | 2 | 3 | 5.9 | Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O | nan | ||
| CHEMBL290106 | 107180 | 89 | None | -16 | 12 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 354 | 2 | 2 | 3 | 5.9 | Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O | nan | ||
| CHEMBL103939 | 215239 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | CC(C)CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(C)C)C(N)=O | 10.1021/jm9807151 | ||||
| 44281743 | 106415 | 0 | None | -2 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 690 | 11 | 1 | 5 | 9.1 | CO/N=C(\C(C)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| CHEMBL284244 | 106415 | 0 | None | -2 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 690 | 11 | 1 | 5 | 9.1 | CO/N=C(\C(C)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| 10471895 | 124855 | 0 | None | - | 1 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 331 | 3 | 1 | 3 | 2.8 | CN1CC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)OC1=O | 10.1021/jm00019a006 | ||
| CHEMBL340548 | 124855 | 0 | None | - | 1 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 331 | 3 | 1 | 3 | 2.8 | CN1CC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)OC1=O | 10.1021/jm00019a006 | ||
| 44301858 | 206866 | 0 | None | - | 1 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 372 | 5 | 2 | 3 | 3.5 | N#Cc1ccc2[nH]cc(CCN3CCC(NC(=O)c4ccccc4)CC3)c2c1 | 10.1016/S0960-894X(01)80541-2 | ||
| CHEMBL59594 | 206866 | 0 | None | - | 1 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 372 | 5 | 2 | 3 | 3.5 | N#Cc1ccc2[nH]cc(CCN3CCC(NC(=O)c4ccccc4)CC3)c2c1 | 10.1016/S0960-894X(01)80541-2 | ||
| CHEMBL583102 | 222560 | 6 | None | -5248 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O | 10.1021/jm2017072 | ||||
| CHEMBL583102 | 222560 | 6 | None | -5248 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O | 10.1021/jm900948q | ||||
| 11203189 | 71062 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 520 | 11 | 3 | 5 | 4.2 | O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 | 10.1016/j.bmcl.2004.11.045 | ||
| CHEMBL181004 | 71062 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 520 | 11 | 3 | 5 | 4.2 | O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 | 10.1016/j.bmcl.2004.11.045 | ||
| 44337353 | 12199 | 0 | None | 9 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 635 | 7 | 2 | 5 | 4.9 | Cc1cc(C)cc(C(=O)N2CCN(C(=O)CNC3CCN(C(=O)[C@H](N)c4ccccc4)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 | 10.1016/s0960-894x(02)00645-5 | ||
| CHEMBL107306 | 12199 | 0 | None | 9 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 635 | 7 | 2 | 5 | 4.9 | Cc1cc(C)cc(C(=O)N2CCN(C(=O)CNC3CCN(C(=O)[C@H](N)c4ccccc4)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 | 10.1016/s0960-894x(02)00645-5 | ||
| 44363983 | 24938 | 0 | None | -2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 769 | 15 | 2 | 7 | 7.4 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(CN2CCCC(CC(O)CO)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00702-2 | ||
| CHEMBL126970 | 24938 | 0 | None | -2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 769 | 15 | 2 | 7 | 7.4 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(CN2CCCC(CC(O)CO)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00702-2 | ||
| 44363926 | 45843 | 0 | None | -3 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 669 | 11 | 1 | 6 | 7.3 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(N2CCC(O)C2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00702-2 | ||
| CHEMBL146882 | 45843 | 0 | None | -3 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 669 | 11 | 1 | 6 | 7.3 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(N2CCC(O)C2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00702-2 | ||
| 10010039 | 46679 | 0 | None | 1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 711 | 14 | 2 | 6 | 8.3 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(CNC2(CO)CCCC2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00702-2 | ||
| CHEMBL147769 | 46679 | 0 | None | 1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 711 | 14 | 2 | 6 | 8.3 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(CNC2(CO)CCCC2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00702-2 | ||
| 44380457 | 64890 | 0 | None | -3 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 698 | 12 | 0 | 7 | 6.6 | COC(=O)CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| CHEMBL167613 | 64890 | 0 | None | -3 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 698 | 12 | 0 | 7 | 6.6 | COC(=O)CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| 49863733 | 22104 | 0 | None | -2 | 4 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 1477 | 21 | 11 | 14 | 6.8 | CCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/jm100157m | ||
| CHEMBL1214026 | 22104 | 0 | None | -2 | 4 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 1477 | 21 | 11 | 14 | 6.8 | CCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/jm100157m | ||
| 44391130 | 71709 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 492 | 10 | 2 | 4 | 3.1 | O=C(NCCCN1CCOCC1)[C@H](Cc1ccccc1)NC(=O)N1CCC(Cc2ccccc2)CC1 | 10.1016/j.bmcl.2004.11.045 | ||
| CHEMBL182264 | 71709 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 492 | 10 | 2 | 4 | 3.1 | O=C(NCCCN1CCOCC1)[C@H](Cc1ccccc1)NC(=O)N1CCC(Cc2ccccc2)CC1 | 10.1016/j.bmcl.2004.11.045 | ||
| 44391136 | 72878 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 487 | 11 | 2 | 5 | 3.1 | CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 | 10.1016/j.bmcl.2004.11.045 | ||
| CHEMBL183917 | 72878 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 487 | 11 | 2 | 5 | 3.1 | CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 | 10.1016/j.bmcl.2004.11.045 | ||
| 73354570 | 96185 | 0 | None | -13 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 814 | 8 | 8 | 9 | 0.4 | COc1ccc(C(O)C2NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CNC2=O)cc1CC=C(C)C | 10.1021/jm00029a007 | ||
| CHEMBL2370513 | 96185 | 0 | None | -13 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 814 | 8 | 8 | 9 | 0.4 | COc1ccc(C(O)C2NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CNC2=O)cc1CC=C(C)C | 10.1021/jm00029a007 | ||
| 155558726 | 181587 | 0 | None | -3 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 835 | 11 | 0 | 13 | 6.7 | CC(C)CCO[C@H]1[C@H]2CCN(CCc3ccc4ccccc4c3)CC[C@H]3O[C@H](Cn4cc(nn4)COC[C@@H](O2)[C@@H]2OC(C)(C)O[C@H]12)[C@@H]1OC(C)(C)O[C@@H]1[C@H]3OCCC(C)C | 10.1016/j.ejmech.2019.04.064 | ||
| CHEMBL4562303 | 181587 | 0 | None | -3 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 835 | 11 | 0 | 13 | 6.7 | CC(C)CCO[C@H]1[C@H]2CCN(CCc3ccc4ccccc4c3)CC[C@H]3O[C@H](Cn4cc(nn4)COC[C@@H](O2)[C@@H]2OC(C)(C)O[C@H]12)[C@@H]1OC(C)(C)O[C@@H]1[C@H]3OCCC(C)C | 10.1016/j.ejmech.2019.04.064 | ||
| 4189 | 213701 | 96 | None | -18 | 34 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
| CHEMBL1559 | 213701 | 96 | None | -18 | 34 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
| CHEMBL91 | 213701 | 96 | None | -18 | 34 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
| 5318 | 22348 | 49 | None | -1 | 13 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| CHEMBL1200348 | 22348 | 49 | None | -1 | 13 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| CHEMBL1221 | 22348 | 49 | None | -1 | 13 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| 44281957 | 106592 | 0 | None | -27 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 703 | 10 | 1 | 5 | 8.1 | CO/N=C(\C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| CHEMBL285475 | 106592 | 0 | None | -27 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 703 | 10 | 1 | 5 | 8.1 | CO/N=C(\C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| 44380290 | 106866 | 0 | None | -21 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 736 | 14 | 0 | 9 | 6.5 | CN(C/C(=N\OCCCn1cnnn1)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| CHEMBL287369 | 106866 | 0 | None | -21 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 736 | 14 | 0 | 9 | 6.5 | CN(C/C(=N\OCCCn1cnnn1)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| 15887537 | 115823 | 0 | None | -3 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 700 | 7 | 1 | 4 | 7.3 | O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(C(=O)CNC2CCN(Cc3ccccc3)CC2)C(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/s0960-894x(02)00645-5 | ||
| CHEMBL321270 | 115823 | 0 | None | -3 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 700 | 7 | 1 | 4 | 7.3 | O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(C(=O)CNC2CCN(Cc3ccccc3)CC2)C(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/s0960-894x(02)00645-5 | ||
| 44281303 | 107246 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 582 | 11 | 1 | 8 | 6.2 | CO/N=C(\COCc1ccc2nonc2c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| CHEMBL290786 | 107246 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 582 | 11 | 1 | 8 | 6.2 | CO/N=C(\COCc1ccc2nonc2c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| 44314946 | 211842 | 0 | None | -2 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 726 | 14 | 0 | 6 | 8.0 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N(C(C)C)C(C)C)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00464-9 | ||
| CHEMBL77235 | 211842 | 0 | None | -2 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 726 | 14 | 0 | 6 | 8.0 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N(C(C)C)C(C)C)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00464-9 | ||
| 5362440 | 16793 | 63 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 613 | 11 | 4 | 7 | 2.9 | CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O | nan | ||
| CHEMBL115 | 16793 | 63 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 613 | 11 | 4 | 7 | 2.9 | CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O | nan | ||
| 44266422 | 11214 | 0 | None | -79 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 423 | 7 | 1 | 3 | 5.8 | CC[C@@H](NC(=O)c1c(CN(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 | 10.1021/jm980633c | ||
| CHEMBL10162 | 11214 | 0 | None | -79 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 423 | 7 | 1 | 3 | 5.8 | CC[C@@H](NC(=O)c1c(CN(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 | 10.1021/jm980633c | ||
| 10812218 | 178851 | 0 | None | -79 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 423 | 7 | 1 | 3 | 5.8 | CC[C@H](NC(=O)c1c(CN(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 | 10.1021/jm000501v | ||
| CHEMBL44722 | 178851 | 0 | None | -79 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 423 | 7 | 1 | 3 | 5.8 | CC[C@H](NC(=O)c1c(CN(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 | 10.1021/jm000501v | ||
| 44337414 | 15987 | 0 | None | -5 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 889 | 13 | 2 | 7 | 9.1 | O=C(CN(NC1CCN(Cc2ccccc2)CC1)NC1CCN(Cc2ccccc2)CC1)N1CCN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00645-5 | ||
| CHEMBL110507 | 15987 | 0 | None | -5 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 889 | 13 | 2 | 7 | 9.1 | O=C(CN(NC1CCN(Cc2ccccc2)CC1)NC1CCN(Cc2ccccc2)CC1)N1CCN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00645-5 | ||
| 44329163 | 118226 | 0 | None | -2 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 344 | 3 | 2 | 6 | 2.8 | Cc1nc2[nH]c(N3CCOCC3)nc(Nc3ccc(Cl)cc3)c-2n1 | 10.1016/0960-894X(95)00502-K | ||
| CHEMBL327531 | 118226 | 0 | None | -2 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 344 | 3 | 2 | 6 | 2.8 | Cc1nc2[nH]c(N3CCOCC3)nc(Nc3ccc(Cl)cc3)c-2n1 | 10.1016/0960-894X(95)00502-K | ||
| 22901328 | 214447 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 420 | 4 | 3 | 6 | 4.2 | CC(C)c1nc2[nH]c(N3CCC(O)CC3)nc(Nc3ccc(C(F)(F)F)cc3)c-2n1 | 10.1016/0960-894X(95)00502-K | ||
| CHEMBL95347 | 214447 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 420 | 4 | 3 | 6 | 4.2 | CC(C)c1nc2[nH]c(N3CCC(O)CC3)nc(Nc3ccc(C(F)(F)F)cc3)c-2n1 | 10.1016/0960-894X(95)00502-K | ||
| 44281713 | 106439 | 0 | None | 1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 600 | 13 | 1 | 7 | 6.7 | CO/N=C(\COCc1cc(OC)cc(OC)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| CHEMBL284396 | 106439 | 0 | None | 1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 600 | 13 | 1 | 7 | 6.7 | CO/N=C(\COCc1cc(OC)cc(OC)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| 9849950 | 108147 | 0 | None | 64 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 458 | 8 | 1 | 4 | 5.3 | CCC(CC)NC(=O)c1c(CN2CCN(C(C)C)CC2)c(-c2ccccc2)nc2ccccc12 | 10.1021/jm000501v | ||
| CHEMBL297086 | 108147 | 0 | None | 64 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 458 | 8 | 1 | 4 | 5.3 | CCC(CC)NC(=O)c1c(CN2CCN(C(C)C)CC2)c(-c2ccccc2)nc2ccccc12 | 10.1021/jm000501v | ||
| 10189341 | 16891 | 0 | None | -10 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 623 | 7 | 2 | 3 | 6.1 | CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](/C=C/C(=O)N[C@H]1CCCCNC1=O)Cc1ccc(Cl)c(Cl)c1 | 10.1021/jm030786m | ||
| CHEMBL115633 | 16891 | 0 | None | -10 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 623 | 7 | 2 | 3 | 6.1 | CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](/C=C/C(=O)N[C@H]1CCCCNC1=O)Cc1ccc(Cl)c(Cl)c1 | 10.1021/jm030786m | ||
| 141952732 | 127243 | 0 | None | -1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 734 | 13 | 3 | 7 | 7.8 | N/C(CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)=N/O | 10.1016/s0960-894x(02)00027-6 | ||
| 44380527 | 127243 | 0 | None | -1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 734 | 13 | 3 | 7 | 7.8 | N/C(CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)=N/O | 10.1016/s0960-894x(02)00027-6 | ||
| CHEMBL354091 | 127243 | 0 | None | -1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 734 | 13 | 3 | 7 | 7.8 | N/C(CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)=N/O | 10.1016/s0960-894x(02)00027-6 | ||
| 44380095 | 127634 | 0 | None | -1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 687 | 11 | 1 | 6 | 8.6 | N#CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| CHEMBL355868 | 127634 | 0 | None | -1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 687 | 11 | 1 | 6 | 8.6 | N#CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| 10390570 | 23316 | 0 | None | - | 1 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 483 | 6 | 1 | 3 | 5.9 | O=C1OC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1C(c1ccccc1)c1ccccc1 | 10.1021/jm00019a006 | ||
| CHEMBL123731 | 23316 | 0 | None | - | 1 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 483 | 6 | 1 | 3 | 5.9 | O=C1OC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1C(c1ccccc1)c1ccccc1 | 10.1021/jm00019a006 | ||
| 10093650 | 23575 | 0 | None | - | 1 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 421 | 5 | 1 | 3 | 4.9 | CC(c1ccccc1)N1CC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)OC1=O | 10.1021/jm00019a006 | ||
| CHEMBL124624 | 23575 | 0 | None | - | 1 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 421 | 5 | 1 | 3 | 4.9 | CC(c1ccccc1)N1CC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)OC1=O | 10.1021/jm00019a006 | ||
| 10344101 | 123619 | 0 | None | - | 1 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 457 | 5 | 1 | 3 | 5.5 | O=C1OC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1Cc1ccc2ccccc2c1 | 10.1021/jm00019a006 | ||
| CHEMBL338030 | 123619 | 0 | None | - | 1 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 457 | 5 | 1 | 3 | 5.5 | O=C1OC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1Cc1ccc2ccccc2c1 | 10.1021/jm00019a006 | ||
| 11802167 | 85563 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 633 | 6 | 5 | 4 | 3.6 | O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccc(C(F)(F)F)cc2)CN1 | 10.1021/jm0010217 | ||
| CHEMBL2112675 | 85563 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 633 | 6 | 5 | 4 | 3.6 | O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccc(C(F)(F)F)cc2)CN1 | 10.1021/jm0010217 | ||
| 44434171 | 96101 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 614 | 15 | 4 | 7 | 3.0 | NCCOCCOCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)Cc2ccccc2C1 | 10.1016/j.bmcl.2007.06.053 | ||
| CHEMBL236890 | 96101 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 614 | 15 | 4 | 7 | 3.0 | NCCOCCOCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)Cc2ccccc2C1 | 10.1016/j.bmcl.2007.06.053 | ||
| 44434184 | 96287 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 560 | 11 | 3 | 5 | 4.7 | O=C(NC1(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCN2CCCC2)CCCCC1)c1cc2ccccc2s1 | 10.1016/j.bmcl.2007.06.053 | ||
| CHEMBL237303 | 96287 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 560 | 11 | 3 | 5 | 4.7 | O=C(NC1(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCN2CCCC2)CCCCC1)c1cc2ccccc2s1 | 10.1016/j.bmcl.2007.06.053 | ||
| 44577885 | 195398 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 618 | 13 | 3 | 6 | 4.1 | CCOc1cccc(C(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCC3CCN(CC4CCOCC4)CC3)CCCC2)c1 | 10.1016/j.bmcl.2008.06.102 | ||
| CHEMBL502914 | 195398 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 618 | 13 | 3 | 6 | 4.1 | CCOc1cccc(C(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCC3CCN(CC4CCOCC4)CC3)CCCC2)c1 | 10.1016/j.bmcl.2008.06.102 | ||
| 54583959 | 67443 | 0 | None | -38 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 410 | 5 | 1 | 4 | 3.7 | COc1ccccc1CN1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 | 10.1016/j.bmcl.2011.02.033 | ||
| CHEMBL1760339 | 67443 | 0 | None | -38 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 410 | 5 | 1 | 4 | 3.7 | COc1ccccc1CN1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 | 10.1016/j.bmcl.2011.02.033 | ||
| 11790 | 106263 | 98 | None | -2 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 272 | 1 | 0 | 2 | 4.6 | O=c1cc(-c2ccccc2)oc2c1ccc1ccccc12 | nan | ||
| CHEMBL283196 | 106263 | 98 | None | -2 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 272 | 1 | 0 | 2 | 4.6 | O=c1cc(-c2ccccc2)oc2c1ccc1ccccc12 | nan | ||
| 118724123 | 123190 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 954 | 29 | 11 | 16 | -1.6 | CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)C(CCNc1ccc([N+](=O)[O-])c2nonc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(C)=O)C(N)=O | 10.1021/jm401823z | ||
| CHEMBL3360202 | 123190 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 954 | 29 | 11 | 16 | -1.6 | CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)C(CCNc1ccc([N+](=O)[O-])c2nonc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(C)=O)C(N)=O | 10.1021/jm401823z | ||
| 44363948 | 43151 | 0 | None | -5 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 653 | 11 | 0 | 5 | 8.3 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(N2CCCC2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00702-2 | ||
| CHEMBL144668 | 43151 | 0 | None | -5 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 653 | 11 | 0 | 5 | 8.3 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(N2CCCC2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00702-2 | ||
| 44380795 | 212911 | 0 | None | -7 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 734 | 13 | 1 | 7 | 8.3 | COC(=O)CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| CHEMBL85980 | 212911 | 0 | None | -7 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 734 | 13 | 1 | 7 | 8.3 | COC(=O)CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| 10454135 | 24744 | 0 | None | - | 1 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 408 | 5 | 1 | 4 | 3.7 | O=C1OC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1Cc1cccnc1 | 10.1021/jm00019a006 | ||
| CHEMBL126158 | 24744 | 0 | None | - | 1 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 408 | 5 | 1 | 4 | 3.7 | O=C1OC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1Cc1cccnc1 | 10.1021/jm00019a006 | ||
| 44380415 | 127093 | 0 | None | -2 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 683 | 12 | 1 | 6 | 5.9 | CN(C/C(=N\OCC(N)=O)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| CHEMBL352813 | 127093 | 0 | None | -2 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 683 | 12 | 1 | 6 | 5.9 | CN(C/C(=N\OCC(N)=O)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| 44281685 | 106807 | 0 | None | 5 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 587 | 10 | 1 | 6 | 6.6 | CO/N=C(\CN(C)C(=O)c1ccc(C)s1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| CHEMBL286901 | 106807 | 0 | None | 5 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 587 | 10 | 1 | 6 | 6.6 | CO/N=C(\CN(C)C(=O)c1ccc(C)s1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| 44281977 | 116171 | 0 | None | -1 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 595 | 10 | 1 | 5 | 6.8 | CO/N=C(\CN(C)C(=O)c1cc(C)cc(C)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| CHEMBL32197 | 116171 | 0 | None | -1 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 595 | 10 | 1 | 5 | 6.8 | CO/N=C(\CN(C)C(=O)c1cc(C)cc(C)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| 44281976 | 117351 | 0 | None | 2 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 627 | 12 | 1 | 7 | 6.2 | CO/N=C(\CN(C)C(=O)c1cc(OC)cc(OC)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| CHEMBL32537 | 117351 | 0 | None | 2 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 627 | 12 | 1 | 7 | 6.2 | CO/N=C(\CN(C)C(=O)c1cc(OC)cc(OC)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| 10394882 | 120589 | 0 | None | -1 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 689 | 10 | 2 | 5 | 7.9 | CO/N=C(\CNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| CHEMBL33249 | 120589 | 0 | None | -1 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 689 | 10 | 2 | 5 | 7.9 | CO/N=C(\CNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| 137633652 | 163375 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 749 | 24 | 10 | 10 | -1.5 | CCCCC(NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)O | 10.1021/acs.jmedchem.6b01422 | ||
| CHEMBL4068783 | 163375 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 749 | 24 | 10 | 10 | -1.5 | CCCCC(NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)O | 10.1021/acs.jmedchem.6b01422 | ||
| 9918520 | 109528 | 0 | None | -2 | 2 | Guinea pig | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 753 | 12 | 1 | 7 | 5.8 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(N2CCCC(CC(=O)N3CC(O)C3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| CHEMBL305055 | 109528 | 0 | None | -2 | 2 | Guinea pig | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 753 | 12 | 1 | 7 | 5.8 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(N2CCCC(CC(=O)N3CC(O)C3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| 9896563 | 110557 | 0 | None | -5 | 2 | Guinea pig | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 711 | 12 | 1 | 6 | 6.4 | CNC(=O)CC1CCCN(C2CCN(CCC(/C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N/OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O | 10.1016/s0960-894x(02)00340-2 | ||
| CHEMBL308891 | 110557 | 0 | None | -5 | 2 | Guinea pig | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 711 | 12 | 1 | 6 | 6.4 | CNC(=O)CC1CCCN(C2CCN(CCC(/C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N/OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O | 10.1016/s0960-894x(02)00340-2 | ||
| 44307953 | 175973 | 0 | None | -35 | 2 | Guinea pig | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 784 | 12 | 1 | 7 | 6.4 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(N2CCCC(CC(=O)[S+]3CCNCC3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| CHEMBL440679 | 175973 | 0 | None | -35 | 2 | Guinea pig | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 784 | 12 | 1 | 7 | 6.4 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(N2CCCC(CC(=O)[S+]3CCNCC3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| CHEMBL540651 | 175973 | 0 | None | -35 | 2 | Guinea pig | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 784 | 12 | 1 | 7 | 6.4 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(N2CCCC(CC(=O)[S+]3CCNCC3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| 9939307 | 210265 | 0 | None | -6 | 4 | Guinea pig | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 640 | 10 | 0 | 5 | 7.0 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| CHEMBL66106 | 210265 | 0 | None | -6 | 4 | Guinea pig | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 640 | 10 | 0 | 5 | 7.0 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| 52918297 | 65263 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 611 | 12 | 2 | 6 | 4.8 | O=C(NC1(C(=O)N[C@H](CCCN2CCN(CC3CCOCC3)CC2)Cc2ccccc2)CCCC1)c1cc2ccccc2cn1 | 10.1016/j.bmcl.2011.01.074 | ||
| CHEMBL1683152 | 65263 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 611 | 12 | 2 | 6 | 4.8 | O=C(NC1(C(=O)N[C@H](CCCN2CCN(CC3CCOCC3)CC2)Cc2ccccc2)CCCC1)c1cc2ccccc2cn1 | 10.1016/j.bmcl.2011.01.074 | ||
| 23626111 | 92921 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 645 | 12 | 3 | 7 | 4.0 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCC(N3CCOCC3)CC2)CCCC1)c1cc2ccccc2s1 | 10.1021/jm070289w | ||
| CHEMBL231173 | 92921 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 645 | 12 | 3 | 7 | 4.0 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCC(N3CCOCC3)CC2)CCCC1)c1cc2ccccc2s1 | 10.1021/jm070289w | ||
| 22405735 | 85195 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 489 | 9 | 1 | 4 | 6.2 | CC/C(=N/O)C1CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/s0960-894x(98)00037-7 | ||
| CHEMBL2111522 | 85195 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 489 | 9 | 1 | 4 | 6.2 | CC/C(=N/O)C1CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/s0960-894x(98)00037-7 | ||
| 23625785 | 159449 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 556 | 11 | 3 | 5 | 3.4 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1ccc2ccccc2c1 | 10.1021/jm070289w | ||
| CHEMBL397264 | 159449 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 556 | 11 | 3 | 5 | 3.4 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1ccc2ccccc2c1 | 10.1021/jm070289w | ||
| 10187380 | 159448 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 545 | 11 | 4 | 5 | 2.8 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1cc2ccccc2[nH]1 | 10.1021/jm070289w | ||
| CHEMBL397263 | 159448 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 545 | 11 | 4 | 5 | 2.8 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1cc2ccccc2[nH]1 | 10.1021/jm070289w | ||
| 10209751 | 92780 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 559 | 11 | 3 | 6 | 2.8 | Cn1c(C(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCCN3CCOCC3)CCCC2)cc2ccccc21 | 10.1021/jm070289w | ||
| CHEMBL230426 | 92780 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 559 | 11 | 3 | 6 | 2.8 | Cn1c(C(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCCN3CCOCC3)CCCC2)cc2ccccc21 | 10.1021/jm070289w | ||
| 23653789 | 10359 | 24 | None | 1 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 555 | 5 | 0 | 3 | 7.7 | O=C1CCC(=C1)N1C[C@@H]2[C@@H](C1)[C@@H]([C@H](CC2)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)c1ccc(cc1)F | 10.1021/jm8016514 | ||
| 9280 | 10359 | 24 | None | 1 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 555 | 5 | 0 | 3 | 7.7 | O=C1CCC(=C1)N1C[C@@H]2[C@@H](C1)[C@@H]([C@H](CC2)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)c1ccc(cc1)F | 10.1021/jm8016514 | ||
| CHEMBL447955 | 10359 | 24 | None | 1 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 555 | 5 | 0 | 3 | 7.7 | O=C1CCC(=C1)N1C[C@@H]2[C@@H](C1)[C@@H]([C@H](CC2)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)c1ccc(cc1)F | 10.1021/jm8016514 | ||
| DB12973 | 10359 | 24 | None | 1 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 555 | 5 | 0 | 3 | 7.7 | O=C1CCC(=C1)N1C[C@@H]2[C@@H](C1)[C@@H]([C@H](CC2)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)c1ccc(cc1)F | 10.1021/jm8016514 | ||
| 9825316 | 186287 | 0 | None | 1 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 456 | 6 | 2 | 4 | 5.0 | C[C@H](NC(=O)c1c(CN2CCNCC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1 | 10.1021/jm000501v | ||
| CHEMBL47412 | 186287 | 0 | None | 1 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 456 | 6 | 2 | 4 | 5.0 | C[C@H](NC(=O)c1c(CN2CCNCC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1 | 10.1021/jm000501v | ||
| 44315267 | 112282 | 0 | None | 40 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 701 | 11 | 1 | 7 | 8.5 | CO/N=C(\CN(C(=O)c1cc(Cl)cc(Cl)c1)C1CC1)[C@H](CCN1CCC(n2c(O)nc3ccccc32)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00462-6 | ||
| CHEMBL312141 | 112282 | 0 | None | 40 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 701 | 11 | 1 | 7 | 8.5 | CO/N=C(\CN(C(=O)c1cc(Cl)cc(Cl)c1)C1CC1)[C@H](CCN1CCC(n2c(O)nc3ccccc32)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00462-6 | ||
| 44315209 | 211690 | 0 | None | -1 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 728 | 12 | 0 | 8 | 7.9 | CCN(C/C(=N\OC)[C@H](CCN1CCC(n2c(=O)n(CC#N)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(02)00462-6 | ||
| CHEMBL76093 | 211690 | 0 | None | -1 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 728 | 12 | 0 | 8 | 7.9 | CCN(C/C(=N\OC)[C@H](CCN1CCC(n2c(=O)n(CC#N)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(02)00462-6 | ||
| 9979586 | 23581 | 0 | None | - | 1 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 421 | 4 | 1 | 4 | 4.0 | O=C1OC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1C(=O)c1ccccc1 | 10.1021/jm00019a006 | ||
| CHEMBL124648 | 23581 | 0 | None | - | 1 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 421 | 4 | 1 | 4 | 4.0 | O=C1OC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1C(=O)c1ccccc1 | 10.1021/jm00019a006 | ||
| 44353064 | 164136 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 960 | 12 | 13 | 13 | -3.9 | CC(=O)N[C@@H]1[C@@H](CO)[C@H](O)[C@@H](CO)O[C@H]1NC(=O)C[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CNC(=O)C[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2 | 10.1021/jm0010217 | ||
| CHEMBL407782 | 164136 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 960 | 12 | 13 | 13 | -3.9 | CC(=O)N[C@@H]1[C@@H](CO)[C@H](O)[C@@H](CO)O[C@H]1NC(=O)C[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CNC(=O)C[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2 | 10.1021/jm0010217 | ||
| 44434205 | 96177 | 0 | None | 50 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 623 | 11 | 3 | 6 | 3.7 | CN1CCN(CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(NC(=O)c3cc4ccccc4s3)Cc3ccccc3C2)CC1 | 10.1016/j.bmcl.2007.06.053 | ||
| CHEMBL237048 | 96177 | 0 | None | 50 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 623 | 11 | 3 | 6 | 3.7 | CN1CCN(CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(NC(=O)c3cc4ccccc4s3)Cc3ccccc3C2)CC1 | 10.1016/j.bmcl.2007.06.053 | ||
| 44374598 | 126269 | 0 | None | 1 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 811 | 10 | 10 | 10 | -1.2 | CC(=O)NC1C(NC(=O)C2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)OC(CO)C(O)C1O | 10.1016/s0960-894x(01)00841-1 | ||
| CHEMBL345402 | 126269 | 0 | None | 1 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 811 | 10 | 10 | 10 | -1.2 | CC(=O)NC1C(NC(=O)C2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)OC(CO)C(O)C1O | 10.1016/s0960-894x(01)00841-1 | ||
| 9887650 | 23423 | 0 | None | -1 | 5 | Guinea pig | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 407 | 5 | 1 | 3 | 4.3 | O=C1OC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1Cc1ccccc1 | 10.1021/jm00019a006 | ||
| CHEMBL124208 | 23423 | 0 | None | -1 | 5 | Guinea pig | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 407 | 5 | 1 | 3 | 4.3 | O=C1OC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1Cc1ccccc1 | 10.1021/jm00019a006 | ||
| 44315572 | 109758 | 0 | None | -1 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 689 | 11 | 1 | 7 | 8.3 | CCN(C/C(=N\OC)[C@H](CCN1CCC(n2c(O)nc3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(02)00462-6 | ||
| CHEMBL306624 | 109758 | 0 | None | -1 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 689 | 11 | 1 | 7 | 8.3 | CCN(C/C(=N\OC)[C@H](CCN1CCC(n2c(O)nc3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(02)00462-6 | ||
| 9918479 | 64386 | 0 | None | 1 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 748 | 14 | 1 | 7 | 6.7 | CN(C/C(=N\OCCCS(=O)(=O)O)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| CHEMBL166827 | 64386 | 0 | None | 1 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 748 | 14 | 1 | 7 | 6.7 | CN(C/C(=N\OCCCS(=O)(=O)O)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| 71461711 | 86417 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 489 | 9 | 1 | 4 | 6.2 | CCC(=NO)C1CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/s0960-894x(98)00037-7 | ||
| CHEMBL2115072 | 86417 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 489 | 9 | 1 | 4 | 6.2 | CCC(=NO)C1CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/s0960-894x(98)00037-7 | ||
| 44315231 | 112176 | 0 | None | -1 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 780 | 13 | 0 | 8 | 8.8 | CCN(C/C(=N\OC)[C@H](CCN1CCC(n2c(=O)n(Cc3ccccn3)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(02)00462-6 | ||
| CHEMBL311712 | 112176 | 0 | None | -1 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 780 | 13 | 0 | 8 | 8.8 | CCN(C/C(=N\OC)[C@H](CCN1CCC(n2c(=O)n(Cc3ccccn3)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(02)00462-6 | ||
| 10167532 | 99945 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 596 | 11 | 3 | 6 | 4.2 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1cc2c(Cl)cccc2s1 | 10.1021/jm070289w | ||
| CHEMBL244363 | 99945 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 596 | 11 | 3 | 6 | 4.2 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1cc2c(Cl)cccc2s1 | 10.1021/jm070289w | ||
| 18393120 | 12032 | 0 | None | 10 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 502 | 5 | 2 | 4 | 4.0 | Cc1cc(C)cc(C(=O)N2CCN(C(=O)CNC3CCNCC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 | 10.1016/s0960-894x(02)00645-5 | ||
| CHEMBL106404 | 12032 | 0 | None | 10 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 502 | 5 | 2 | 4 | 4.0 | Cc1cc(C)cc(C(=O)N2CCN(C(=O)CNC3CCNCC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 | 10.1016/s0960-894x(02)00645-5 | ||
| 44281415 | 106471 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 702 | 12 | 1 | 5 | 9.2 | CO/N=C(\COC/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| CHEMBL284597 | 106471 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 702 | 12 | 1 | 5 | 9.2 | CO/N=C(\COC/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| 44281680 | 125369 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 659 | 11 | 1 | 6 | 8.2 | CO/N=C(\COCc1ccc2ccc(C(F)(F)F)nc2c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| CHEMBL34167 | 125369 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 659 | 11 | 1 | 6 | 8.2 | CO/N=C(\COCc1ccc2ccc(C(F)(F)F)nc2c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| 44363909 | 42674 | 0 | None | 5 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 739 | 13 | 0 | 7 | 8.5 | CCOC(=O)C1CCCN(C2CCN(CCC(/C(COCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)=N/OC)c3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/s0960-894x(00)00702-2 | ||
| CHEMBL144223 | 42674 | 0 | None | 5 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 739 | 13 | 0 | 7 | 8.5 | CCOC(=O)C1CCCN(C2CCN(CCC(/C(COCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)=N/OC)c3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/s0960-894x(00)00702-2 | ||
| 23625321 | 99083 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 536 | 11 | 3 | 6 | 3.0 | CC(C)(NC(=O)c1cc2ccccc2s1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 | 10.1021/jm070289w | ||
| CHEMBL242847 | 99083 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 536 | 11 | 3 | 6 | 3.0 | CC(C)(NC(=O)c1cc2ccccc2s1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 | 10.1021/jm070289w | ||
| 44390529 | 70958 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 520 | 11 | 3 | 5 | 4.2 | O=C(Nc1ccc(Oc2cccc(F)c2)cc1)N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 | 10.1016/j.bmcl.2004.11.045 | ||
| CHEMBL180877 | 70958 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 520 | 11 | 3 | 5 | 4.2 | O=C(Nc1ccc(Oc2cccc(F)c2)cc1)N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 | 10.1016/j.bmcl.2004.11.045 | ||
| 44390606 | 71071 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 530 | 12 | 3 | 5 | 4.6 | CCc1ccc(Oc2ccc(NC(=O)N[C@@H](Cc3ccccc3)C(=O)NCCCN3CCOCC3)cc2)cc1 | 10.1016/j.bmcl.2004.11.045 | ||
| CHEMBL181050 | 71071 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 530 | 12 | 3 | 5 | 4.6 | CCc1ccc(Oc2ccc(NC(=O)N[C@@H](Cc3ccccc3)C(=O)NCCCN3CCOCC3)cc2)cc1 | 10.1016/j.bmcl.2004.11.045 | ||
| 44390998 | 72363 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 502 | 11 | 3 | 5 | 4.1 | O=C(Nc1cccc(Oc2ccccc2)c1)N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 | 10.1016/j.bmcl.2004.11.045 | ||
| CHEMBL183232 | 72363 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 502 | 11 | 3 | 5 | 4.1 | O=C(Nc1cccc(Oc2ccccc2)c1)N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 | 10.1016/j.bmcl.2004.11.045 | ||
| 44390535 | 129595 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 576 | 14 | 3 | 7 | 3.9 | COc1cc(COc2ccc(NC(=O)N[C@@H](Cc3ccccc3)C(=O)NCCCN3CCOCC3)cc2)cc(OC)c1 | 10.1016/j.bmcl.2004.11.045 | ||
| CHEMBL360546 | 129595 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 576 | 14 | 3 | 7 | 3.9 | COc1cc(COc2ccc(NC(=O)N[C@@H](Cc3ccccc3)C(=O)NCCCN3CCOCC3)cc2)cc(OC)c1 | 10.1016/j.bmcl.2004.11.045 | ||
| 44390588 | 130484 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 544 | 12 | 3 | 5 | 5.2 | CC(C)c1ccc(Oc2ccc(NC(=O)N[C@H](Cc3ccccc3)C(=O)NCCCN3CCOCC3)cc2)cc1 | 10.1016/j.bmcl.2004.11.045 | ||
| CHEMBL362201 | 130484 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 544 | 12 | 3 | 5 | 5.2 | CC(C)c1ccc(Oc2ccc(NC(=O)N[C@H](Cc3ccccc3)C(=O)NCCCN3CCOCC3)cc2)cc1 | 10.1016/j.bmcl.2004.11.045 | ||
| 44314597 | 111128 | 0 | None | -3 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 599 | 10 | 0 | 5 | 7.0 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(C)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00464-9 | ||
| CHEMBL310019 | 111128 | 0 | None | -3 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 599 | 10 | 0 | 5 | 7.0 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(C)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00464-9 | ||
| 44391006 | 70850 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 485 | 11 | 2 | 4 | 3.4 | O=C(N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1)C(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2004.11.045 | ||
| CHEMBL180749 | 70850 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 485 | 11 | 2 | 4 | 3.4 | O=C(N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1)C(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2004.11.045 | ||
| 44390987 | 71218 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 471 | 10 | 2 | 4 | 3.5 | O=C(N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1)c1cccc(-c2ccccc2)c1 | 10.1016/j.bmcl.2004.11.045 | ||
| CHEMBL181329 | 71218 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 471 | 10 | 2 | 4 | 3.5 | O=C(N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1)c1cccc(-c2ccccc2)c1 | 10.1016/j.bmcl.2004.11.045 | ||
| 44390994 | 71610 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 438 | 10 | 2 | 4 | 2.3 | CN(Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 | 10.1016/j.bmcl.2004.11.045 | ||
| CHEMBL181998 | 71610 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 438 | 10 | 2 | 4 | 2.3 | CN(Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 | 10.1016/j.bmcl.2004.11.045 | ||
| 44391145 | 129209 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 492 | 10 | 2 | 4 | 3.1 | O=C(NCCCN1CCOCC1)[C@@H](Cc1ccccc1)NC(=O)N1CCC(Cc2ccccc2)CC1 | 10.1016/j.bmcl.2004.11.045 | ||
| CHEMBL360085 | 129209 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 492 | 10 | 2 | 4 | 3.1 | O=C(NCCCN1CCOCC1)[C@@H](Cc1ccccc1)NC(=O)N1CCC(Cc2ccccc2)CC1 | 10.1016/j.bmcl.2004.11.045 | ||
| 3198 | 212292 | 76 | None | -21 | 34 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| CHEMBL1201049 | 212292 | 76 | None | -21 | 34 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| CHEMBL808 | 212292 | 76 | None | -21 | 34 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| 44329015 | 214760 | 0 | None | - | 1 | Golden hamster | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 384 | 4 | 2 | 6 | 3.6 | O=C(O)c1ccc2c(Nc3ccc(Cl)cc3)nc(N3CCOCC3)nc2c1 | 10.1016/0960-894X(95)00502-K | ||
| CHEMBL97204 | 214760 | 0 | None | - | 1 | Golden hamster | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 384 | 4 | 2 | 6 | 3.6 | O=C(O)c1ccc2c(Nc3ccc(Cl)cc3)nc(N3CCOCC3)nc2c1 | 10.1016/0960-894X(95)00502-K | ||
| 138106885 | 173690 | 75 | None | -1 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 853 | 10 | 4 | 14 | 3.7 | CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C | nan | ||
| 36314 | 173690 | 75 | None | -1 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 853 | 10 | 4 | 14 | 3.7 | CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C | nan | ||
| CHEMBL428647 | 173690 | 75 | None | -1 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 853 | 10 | 4 | 14 | 3.7 | CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C | nan | ||
| 441243 | 16608 | 58 | None | -19 | 8 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 670 | 12 | 5 | 7 | 3.1 | CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 | nan | ||
| CHEMBL114 | 16608 | 58 | None | -19 | 8 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 670 | 12 | 5 | 7 | 3.1 | CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 | nan | ||
| 44314533 | 112456 | 0 | None | -2 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 710 | 12 | 0 | 6 | 7.4 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00464-9 | ||
| CHEMBL312539 | 112456 | 0 | None | -2 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 710 | 12 | 0 | 6 | 7.4 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00464-9 | ||
| 44314482 | 110586 | 0 | None | 1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 676 | 11 | 1 | 5 | 8.7 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| CHEMBL309087 | 110586 | 0 | None | 1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 676 | 11 | 1 | 5 | 8.7 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| 44281516 | 106658 | 0 | None | 3 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 608 | 11 | 1 | 5 | 8.0 | CO/N=C(\COCc1ccc(F)c2ccccc12)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| CHEMBL285929 | 106658 | 0 | None | 3 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 608 | 11 | 1 | 5 | 8.0 | CO/N=C(\COCc1ccc(F)c2ccccc12)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| 44281333 | 119500 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 611 | 11 | 1 | 7 | 7.6 | CO/N=C(\COCc1ccc2sc(C)nc2c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| CHEMBL33046 | 119500 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 611 | 11 | 1 | 7 | 7.6 | CO/N=C(\COCc1ccc2sc(C)nc2c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| 44314482 | 110586 | 0 | None | 1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 676 | 11 | 1 | 5 | 8.7 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00702-2 | ||
| CHEMBL309087 | 110586 | 0 | None | 1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 676 | 11 | 1 | 5 | 8.7 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00702-2 | ||
| 10078301 | 126010 | 0 | None | -2 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 681 | 12 | 0 | 5 | 8.1 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(CN2CCCC2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00702-2 | ||
| CHEMBL343447 | 126010 | 0 | None | -2 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 681 | 12 | 0 | 5 | 8.1 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(CN2CCCC2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00702-2 | ||
| 44314482 | 110586 | 0 | None | 1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 676 | 11 | 1 | 5 | 8.7 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00463-7 | ||
| CHEMBL309087 | 110586 | 0 | None | 1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 676 | 11 | 1 | 5 | 8.7 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00463-7 | ||
| 44314482 | 110586 | 0 | None | 1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 676 | 11 | 1 | 5 | 8.7 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00464-9 | ||
| CHEMBL309087 | 110586 | 0 | None | 1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 676 | 11 | 1 | 5 | 8.7 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00464-9 | ||
| 10394952 | 111526 | 0 | None | -1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 696 | 12 | 0 | 6 | 7.0 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N2CCCC2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00464-9 | ||
| CHEMBL310703 | 111526 | 0 | None | -1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 696 | 12 | 0 | 6 | 7.0 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N2CCCC2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00464-9 | ||
| 10417108 | 106876 | 0 | None | 1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 676 | 11 | 1 | 5 | 8.7 | CO/N=C(/COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| CHEMBL287454 | 106876 | 0 | None | 1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 676 | 11 | 1 | 5 | 8.7 | CO/N=C(/COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| 10250427 | 114211 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 400 | 4 | 3 | 6 | 4.2 | CC(C)c1nc2[nH]c(N3CCC(C)(O)CC3)nc(Nc3ccc(Cl)cc3)c-2n1 | 10.1016/0960-894X(95)00502-K | ||
| CHEMBL318198 | 114211 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 400 | 4 | 3 | 6 | 4.2 | CC(C)c1nc2[nH]c(N3CCC(C)(O)CC3)nc(Nc3ccc(Cl)cc3)c-2n1 | 10.1016/0960-894X(95)00502-K | ||
| 44266599 | 11418 | 0 | None | -97 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 440 | 8 | 2 | 4 | 5.2 | CC[C@@H](NC(=O)c1c(OCC(=O)O)c(-c2ccccc2)nc2ccccc12)c1ccccc1 | 10.1021/jm980633c | ||
| CHEMBL10303 | 11418 | 0 | None | -97 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 440 | 8 | 2 | 4 | 5.2 | CC[C@@H](NC(=O)c1c(OCC(=O)O)c(-c2ccccc2)nc2ccccc12)c1ccccc1 | 10.1021/jm980633c | ||
| 44380277 | 66019 | 0 | None | -2 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 702 | 13 | 1 | 5 | 9.3 | C=CCO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| CHEMBL170325 | 66019 | 0 | None | -2 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 702 | 13 | 1 | 5 | 9.3 | C=CCO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| 44314548 | 109686 | 0 | None | -3 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 663 | 11 | 0 | 7 | 7.3 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(c2ncccn2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00464-9 | ||
| CHEMBL306052 | 109686 | 0 | None | -3 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 663 | 11 | 0 | 7 | 7.3 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(c2ncccn2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00464-9 | ||
| 44337201 | 115389 | 0 | None | -245 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 592 | 7 | 1 | 4 | 5.9 | Cc1cc(C)cc(C(=O)N2CCN(C(=O)CNC3CCN(Cc4ccccc4)CC3)[C@@H](c3ccc(Cl)c(Cl)c3)C2)c1 | 10.1016/s0960-894x(02)00645-5 | ||
| CHEMBL320548 | 115389 | 0 | None | -245 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 592 | 7 | 1 | 4 | 5.9 | Cc1cc(C)cc(C(=O)N2CCN(C(=O)CNC3CCN(Cc4ccccc4)CC3)[C@@H](c3ccc(Cl)c(Cl)c3)C2)c1 | 10.1016/s0960-894x(02)00645-5 | ||
| 44337308 | 12218 | 0 | None | 1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 600 | 7 | 1 | 4 | 5.6 | O=C(c1cc(F)cc(F)c1)N1CCN(C(=O)CNC2CCN(Cc3ccccc3)CC2)C(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/s0960-894x(02)00645-5 | ||
| CHEMBL107407 | 12218 | 0 | None | 1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 600 | 7 | 1 | 4 | 5.6 | O=C(c1cc(F)cc(F)c1)N1CCN(C(=O)CNC2CCN(Cc3ccccc3)CC2)C(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/s0960-894x(02)00645-5 | ||
| 44282003 | 106887 | 0 | None | 1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 689 | 11 | 1 | 5 | 8.6 | CO/N=C(\CN(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| CHEMBL287523 | 106887 | 0 | None | 1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 689 | 11 | 1 | 5 | 8.6 | CO/N=C(\CN(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| 9874473 | 48582 | 0 | None | -16 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 659 | 10 | 0 | 4 | 8.4 | CCc1c(C#N)cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(c2ccccc2[S@+](C)[O-])CC1)c1ccc(Cl)c(Cl)c1 | 10.1021/jm030197g | ||
| CHEMBL149326 | 48582 | 0 | None | -16 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 659 | 10 | 0 | 4 | 8.4 | CCc1c(C#N)cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(c2ccccc2[S@+](C)[O-])CC1)c1ccc(Cl)c(Cl)c1 | 10.1021/jm030197g | ||
| 10600223 | 186247 | 0 | None | -4 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 464 | 7 | 2 | 4 | 5.2 | CC[C@H](NC(=O)c1c(CN2CCNCC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 | 10.1021/jm000501v | ||
| CHEMBL47408 | 186247 | 0 | None | -4 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 464 | 7 | 2 | 4 | 5.2 | CC[C@H](NC(=O)c1c(CN2CCNCC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 | 10.1021/jm000501v | ||
| 44329340 | 215199 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 462 | 5 | 3 | 6 | 5.3 | CC(C)c1nc2[nH]c(N3CCC(O)(c4ccccc4)CC3)nc(Nc3ccc(Cl)cc3)c-2n1 | 10.1016/0960-894X(95)00502-K | ||
| CHEMBL99823 | 215199 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 462 | 5 | 3 | 6 | 5.3 | CC(C)c1nc2[nH]c(N3CCC(O)(c4ccccc4)CC3)nc(Nc3ccc(Cl)cc3)c-2n1 | 10.1016/0960-894X(95)00502-K | ||
| 657255 | 205863 | 34 | None | -17 | 15 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | nan | ||
| CHEMBL588119 | 205863 | 34 | None | -17 | 15 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | nan | ||
| 44380092 | 127139 | 0 | None | -12 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 698 | 12 | 1 | 6 | 7.2 | CN(C/C(=N\OCC(C)(C)O)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| CHEMBL353162 | 127139 | 0 | None | -12 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 698 | 12 | 1 | 6 | 7.2 | CN(C/C(=N\OCC(C)(C)O)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| 44363436 | 42489 | 0 | None | -1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 711 | 12 | 0 | 5 | 9.2 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(CN2CCCCC2=S)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00702-2 | ||
| CHEMBL144057 | 42489 | 0 | None | -1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 711 | 12 | 0 | 5 | 9.2 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(CN2CCCCC2=S)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00702-2 | ||
| 44363949 | 127720 | 0 | None | -1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 683 | 11 | 0 | 5 | 8.6 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(N2CCCC2=S)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00702-2 | ||
| CHEMBL356105 | 127720 | 0 | None | -1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 683 | 11 | 0 | 5 | 8.6 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(N2CCCC2=S)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00702-2 | ||
| 9874473 | 48582 | 0 | None | -16 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 659 | 10 | 0 | 4 | 8.4 | CCc1c(C#N)cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(c2ccccc2[S@+](C)[O-])CC1)c1ccc(Cl)c(Cl)c1 | 10.1021/jm030197g | ||
| CHEMBL149326 | 48582 | 0 | None | -16 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 659 | 10 | 0 | 4 | 8.4 | CCc1c(C#N)cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(c2ccccc2[S@+](C)[O-])CC1)c1ccc(Cl)c(Cl)c1 | 10.1021/jm030197g | ||
| 44383761 | 136595 | 0 | None | - | 1 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 565 | 10 | 1 | 3 | 6.4 | CC(=O)NCC1(c2ccccc2)CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/S0960-894X(00)80694-0 | ||
| CHEMBL367542 | 136595 | 0 | None | - | 1 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 565 | 10 | 1 | 3 | 6.4 | CC(=O)NCC1(c2ccccc2)CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/S0960-894X(00)80694-0 | ||
| 86274490 | 166665 | 0 | None | -1148 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 392 | 2 | 0 | 7 | 3.1 | Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)c(F)c2)[C@@H]3C)n1 | nan | ||
| CHEMBL4106866 | 166665 | 0 | None | -1148 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 392 | 2 | 0 | 7 | 3.1 | Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)c(F)c2)[C@@H]3C)n1 | nan | ||
| 10044833 | 114224 | 0 | None | -43 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 372 | 5 | 2 | 6 | 3.5 | CCCc1nc2[nH]c(N3CCOCC3)nc(Nc3ccc(Cl)cc3)c-2n1 | 10.1016/0960-894X(95)00502-K | ||
| CHEMBL318254 | 114224 | 0 | None | -43 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 372 | 5 | 2 | 6 | 3.5 | CCCc1nc2[nH]c(N3CCOCC3)nc(Nc3ccc(Cl)cc3)c-2n1 | 10.1016/0960-894X(95)00502-K | ||
| 44380313 | 64865 | 0 | None | -15 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 647 | 10 | 1 | 4 | 8.3 | O=C(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| CHEMBL167409 | 64865 | 0 | None | -15 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 647 | 10 | 1 | 4 | 8.3 | O=C(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| 1760285 | 215169 | 3 | None | -13 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 366 | 5 | 1 | 2 | 5.8 | CC[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 | 10.1021/jm9602423 | ||
| CHEMBL9960 | 215169 | 3 | None | -13 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 366 | 5 | 1 | 2 | 5.8 | CC[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 | 10.1021/jm9602423 | ||
| 1760287 | 11068 | 2 | None | -2 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 366 | 5 | 1 | 2 | 5.8 | CC[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 | 10.1021/jm980633c | ||
| CHEMBL10079 | 11068 | 2 | None | -2 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 366 | 5 | 1 | 2 | 5.8 | CC[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 | 10.1021/jm980633c | ||
| 44380764 | 127506 | 0 | None | 1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 689 | 11 | 1 | 5 | 8.6 | CN(C)/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| CHEMBL354822 | 127506 | 0 | None | 1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 689 | 11 | 1 | 5 | 8.6 | CN(C)/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| 10395141 | 211604 | 0 | None | -1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 726 | 13 | 1 | 7 | 6.2 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N2CC[C@@H](CO)C2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00464-9 | ||
| CHEMBL75367 | 211604 | 0 | None | -1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 726 | 13 | 1 | 7 | 6.2 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N2CC[C@@H](CO)C2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00464-9 | ||
| 44302769 | 168456 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 1350 | 26 | 11 | 15 | 6.5 | CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CCCC(N)/C(S)=N/c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)NC(=O)c1ccccc1)C(N)=O | 10.1021/jm00039a012 | ||
| CHEMBL413205 | 168456 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 1350 | 26 | 11 | 15 | 6.5 | CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CCCC(N)/C(S)=N/c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)NC(=O)c1ccccc1)C(N)=O | 10.1021/jm00039a012 | ||
| 23625324 | 99139 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 576 | 11 | 2 | 6 | 3.9 | CN(C(=O)c1cc2ccccc2s1)C1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1 | 10.1021/jm070289w | ||
| CHEMBL243071 | 99139 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 576 | 11 | 2 | 6 | 3.9 | CN(C(=O)c1cc2ccccc2s1)C1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1 | 10.1021/jm070289w | ||
| 44305818 | 21567 | 0 | None | -630 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 698 | 13 | 3 | 8 | 4.3 | CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H]1C[C@H](O)CN1C(=O)c1cn(CCCCc2nnn[nH]2)c2ccccc12 | 10.1016/S0960-894X(96)00604-X | ||
| CHEMBL1206764 | 21567 | 0 | None | -630 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 698 | 13 | 3 | 8 | 4.3 | CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H]1C[C@H](O)CN1C(=O)c1cn(CCCCc2nnn[nH]2)c2ccccc12 | 10.1016/S0960-894X(96)00604-X | ||
| CHEMBL305119 | 21567 | 0 | None | -630 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 698 | 13 | 3 | 8 | 4.3 | CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H]1C[C@H](O)CN1C(=O)c1cn(CCCCc2nnn[nH]2)c2ccccc12 | 10.1016/S0960-894X(96)00604-X | ||
| 73350089 | 96183 | 0 | None | -19 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 816 | 9 | 8 | 9 | 0.5 | CCC(C)Cc1cc(C(O)C2NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CNC2=O)ccc1OC | 10.1021/jm00029a007 | ||
| CHEMBL2370510 | 96183 | 0 | None | -19 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 816 | 9 | 8 | 9 | 0.5 | CCC(C)Cc1cc(C(O)C2NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CNC2=O)ccc1OC | 10.1021/jm00029a007 | ||
| 44380289 | 127033 | 0 | None | -14 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 734 | 14 | 0 | 7 | 7.7 | CN(C/C(=N\OCCCn1cccn1)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| CHEMBL352364 | 127033 | 0 | None | -14 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 734 | 14 | 0 | 7 | 7.7 | CN(C/C(=N\OCCCn1cccn1)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| 44281784 | 120270 | 0 | None | 6 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 690 | 10 | 1 | 6 | 8.3 | CO/N=C(\COC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| CHEMBL33198 | 120270 | 0 | None | 6 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 690 | 10 | 1 | 6 | 8.3 | CO/N=C(\COC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| 44434189 | 175605 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 576 | 11 | 3 | 6 | 3.9 | O=C(NC1(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCCC1)c1cc2ccccc2s1 | 10.1016/j.bmcl.2007.06.053 | ||
| CHEMBL437777 | 175605 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 576 | 11 | 3 | 6 | 3.9 | O=C(NC1(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCCC1)c1cc2ccccc2s1 | 10.1016/j.bmcl.2007.06.053 | ||
| 44577884 | 177552 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 604 | 12 | 3 | 6 | 3.7 | COc1cccc(C(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCC3CCN(CC4CCOCC4)CC3)CCCC2)c1 | 10.1016/j.bmcl.2008.06.102 | ||
| CHEMBL445284 | 177552 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 604 | 12 | 3 | 6 | 3.7 | COc1cccc(C(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCC3CCN(CC4CCOCC4)CC3)CCCC2)c1 | 10.1016/j.bmcl.2008.06.102 | ||
| 44577896 | 177690 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 631 | 14 | 3 | 6 | 4.4 | CCCCc1ccc(C(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCC3CCN(CC4CCOCC4)CC3)CCCC2)nc1 | 10.1016/j.bmcl.2008.06.102 | ||
| CHEMBL445493 | 177690 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 631 | 14 | 3 | 6 | 4.4 | CCCCc1ccc(C(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCC3CCN(CC4CCOCC4)CC3)CCCC2)nc1 | 10.1016/j.bmcl.2008.06.102 | ||
| 44421492 | 144050 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 939 | 14 | 12 | 12 | -2.4 | CC(=O)N[C@@H](CC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)C(=O)N[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O | 10.1021/jm040832y | ||
| CHEMBL375214 | 144050 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 939 | 14 | 12 | 12 | -2.4 | CC(=O)N[C@@H](CC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)C(=O)N[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O | 10.1021/jm040832y | ||
| 23625786 | 92752 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 557 | 11 | 3 | 6 | 2.8 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1ccc2ncccc2c1 | 10.1021/jm070289w | ||
| CHEMBL230326 | 92752 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 557 | 11 | 3 | 6 | 2.8 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1ccc2ncccc2c1 | 10.1021/jm070289w | ||
| 44390560 | 72167 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 570 | 11 | 3 | 5 | 5.1 | O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 | 10.1016/j.bmcl.2004.11.045 | ||
| CHEMBL182947 | 72167 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 570 | 11 | 3 | 5 | 5.1 | O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 | 10.1016/j.bmcl.2004.11.045 | ||
| 10077178 | 109958 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 592 | 12 | 0 | 8 | 5.0 | CCOC(=O)C1=C(C)OC2OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2[S+]1[O-] | 10.1016/s0960-894x(02)00471-7 | ||
| CHEMBL308176 | 109958 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 592 | 12 | 0 | 8 | 5.0 | CCOC(=O)C1=C(C)OC2OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2[S+]1[O-] | 10.1016/s0960-894x(02)00471-7 | ||
| 86274727 | 167562 | 0 | None | -1047 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 392 | 2 | 0 | 7 | 3.1 | Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)c(Cl)c2)[C@@H]3C)n1 | nan | ||
| CHEMBL4114280 | 167562 | 0 | None | -1047 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 392 | 2 | 0 | 7 | 3.1 | Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)c(Cl)c2)[C@@H]3C)n1 | nan | ||
| 44434177 | 95953 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 548 | 13 | 4 | 5 | 4.7 | NCCCCCCNC(=O)C(Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1 | 10.1016/j.bmcl.2007.06.053 | ||
| CHEMBL236661 | 95953 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 548 | 13 | 4 | 5 | 4.7 | NCCCCCCNC(=O)C(Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1 | 10.1016/j.bmcl.2007.06.053 | ||
| 44329148 | 115717 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 359 | 7 | 4 | 6 | 3.6 | CC(C)c1nc2[nH]c(NCCCN)nc(Nc3ccc(Cl)cc3)c-2n1 | 10.1016/0960-894X(95)00502-K | ||
| CHEMBL321137 | 115717 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 359 | 7 | 4 | 6 | 3.6 | CC(C)c1nc2[nH]c(NCCCN)nc(Nc3ccc(Cl)cc3)c-2n1 | 10.1016/0960-894X(95)00502-K | ||
| 44314298 | 211921 | 0 | None | -4 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 682 | 13 | 1 | 6 | 6.6 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)NC2CC2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00464-9 | ||
| CHEMBL78065 | 211921 | 0 | None | -4 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 682 | 13 | 1 | 6 | 6.6 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)NC2CC2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00464-9 | ||
| 44363990 | 23084 | 0 | None | -1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 749 | 14 | 0 | 5 | 9.5 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(CN2CCCC(CC3CC3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00702-2 | ||
| CHEMBL122643 | 23084 | 0 | None | -1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 749 | 14 | 0 | 5 | 9.5 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(CN2CCCC(CC3CC3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00702-2 | ||
| 44363912 | 125535 | 0 | None | 1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 681 | 12 | 0 | 5 | 8.9 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(CN2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00702-2 | ||
| CHEMBL341843 | 125535 | 0 | None | 1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 681 | 12 | 0 | 5 | 8.9 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(CN2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00702-2 | ||
| 49863734 | 22105 | 0 | None | -13 | 4 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 1477 | 21 | 11 | 14 | 6.8 | CCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/jm100157m | ||
| CHEMBL1214027 | 22105 | 0 | None | -13 | 4 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 1477 | 21 | 11 | 14 | 6.8 | CCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/jm100157m | ||
| 44314299 | 211924 | 0 | None | -1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 739 | 13 | 1 | 7 | 5.8 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N2CCC[C@H]2C(N)=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00464-9 | ||
| CHEMBL78070 | 211924 | 0 | None | -1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 739 | 13 | 1 | 7 | 5.8 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N2CCC[C@H]2C(N)=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00464-9 | ||
| 52918298 | 65261 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 631 | 14 | 3 | 6 | 4.4 | CCCCc1ccc(C(=O)NC2(C(=O)N[C@@H](Cc3ccccc3)C(=O)NCC3CCN(CC4CCOCC4)CC3)CCCC2)nc1 | 10.1016/j.bmcl.2011.01.074 | ||
| CHEMBL1683150 | 65261 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 631 | 14 | 3 | 6 | 4.4 | CCCCc1ccc(C(=O)NC2(C(=O)N[C@@H](Cc3ccccc3)C(=O)NCC3CCN(CC4CCOCC4)CC3)CCCC2)nc1 | 10.1016/j.bmcl.2011.01.074 | ||
| 44314578 | 211927 | 0 | None | -13 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 726 | 14 | 1 | 7 | 6.6 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)NCC2CCCO2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00464-9 | ||
| CHEMBL78091 | 211927 | 0 | None | -13 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 726 | 14 | 1 | 7 | 6.6 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)NCC2CCCO2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00464-9 | ||
| 44337289 | 114815 | 0 | None | -3 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 624 | 9 | 1 | 6 | 5.3 | COc1cc(OC)cc(C(=O)N2CCN(C(=O)CNC3CCN(Cc4ccccc4)CC3)C(c3ccc(Cl)c(Cl)c3)C2)c1 | 10.1016/s0960-894x(02)00645-5 | ||
| CHEMBL319474 | 114815 | 0 | None | -3 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 624 | 9 | 1 | 6 | 5.3 | COc1cc(OC)cc(C(=O)N2CCN(C(=O)CNC3CCN(Cc4ccccc4)CC3)C(c3ccc(Cl)c(Cl)c3)C2)c1 | 10.1016/s0960-894x(02)00645-5 | ||
| 44363963 | 128055 | 0 | None | -1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 724 | 13 | 1 | 6 | 7.6 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(CN2CCCC(C(N)=O)C2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00702-2 | ||
| CHEMBL357853 | 128055 | 0 | None | -1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 724 | 13 | 1 | 6 | 7.6 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(CN2CCCC(C(N)=O)C2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00702-2 | ||
| 44337370 | 114193 | 0 | None | -147 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 700 | 7 | 1 | 4 | 7.3 | O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(C(=O)CNC2CCN(Cc3ccccc3)CC2)[C@@H](c2ccc(Cl)c(Cl)c2)C1 | 10.1016/s0960-894x(02)00645-5 | ||
| CHEMBL318081 | 114193 | 0 | None | -147 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 700 | 7 | 1 | 4 | 7.3 | O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(C(=O)CNC2CCN(Cc3ccccc3)CC2)[C@@H](c2ccc(Cl)c(Cl)c2)C1 | 10.1016/s0960-894x(02)00645-5 | ||
| CHEMBL2112592 | 216019 | 0 | None | 1 | 2 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)[C@H](Cc2ccc(OC(C)(C)C)cc2)NC(=O)CNC1=O | 10.1021/jm00029a007 | ||||
| 10837820 | 186013 | 0 | None | -38 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 463 | 7 | 1 | 3 | 6.8 | CC[C@H](NC(=O)c1c(CN2CCCCC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 | 10.1021/jm000501v | ||
| CHEMBL47275 | 186013 | 0 | None | -38 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 463 | 7 | 1 | 3 | 6.8 | CC[C@H](NC(=O)c1c(CN2CCCCC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 | 10.1021/jm000501v | ||
| 2131 | 10272 | 69 | None | -34 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 380 | 5 | 1 | 2 | 6.1 | CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 | 10.1021/jm9602423 | ||
| 6604009 | 10272 | 69 | None | -34 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 380 | 5 | 1 | 2 | 6.1 | CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 | 10.1021/jm9602423 | ||
| CHEMBL10284 | 10272 | 69 | None | -34 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 380 | 5 | 1 | 2 | 6.1 | CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 | 10.1021/jm9602423 | ||
| 10619783 | 11454 | 1 | None | -5 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 380 | 5 | 1 | 2 | 6.1 | CC[C@@H](NC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 | 10.1021/jm980633c | ||
| CHEMBL10334 | 11454 | 1 | None | -5 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 380 | 5 | 1 | 2 | 6.1 | CC[C@@H](NC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 | 10.1021/jm980633c | ||
| 44337324 | 13483 | 0 | None | 2 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 688 | 8 | 3 | 5 | 5.3 | Cc1cc(C)cc(C(=O)N2CCN(C(=O)CNC3CCN(C(=O)[C@H](N)Cc4c[nH]c5ccccc45)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 | 10.1016/s0960-894x(02)00645-5 | ||
| CHEMBL108364 | 13483 | 0 | None | 2 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 688 | 8 | 3 | 5 | 5.3 | Cc1cc(C)cc(C(=O)N2CCN(C(=O)CNC3CCN(C(=O)[C@H](N)Cc4c[nH]c5ccccc45)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 | 10.1016/s0960-894x(02)00645-5 | ||
| 44281771 | 106416 | 0 | None | 1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 630 | 14 | 1 | 8 | 6.7 | CO/N=C(\COCc1cc(OC)c(OC)c(OC)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| CHEMBL284269 | 106416 | 0 | None | 1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 630 | 14 | 1 | 8 | 6.7 | CO/N=C(\COCc1cc(OC)c(OC)c(OC)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| 44363962 | 42704 | 0 | None | -1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 753 | 14 | 0 | 7 | 8.7 | CCOC(=O)C1CCCN(CC2CCN(CCC(/C(COCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)=N/OC)c3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/s0960-894x(00)00702-2 | ||
| CHEMBL144249 | 42704 | 0 | None | -1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 753 | 14 | 0 | 7 | 8.7 | CCOC(=O)C1CCCN(CC2CCN(CCC(/C(COCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)=N/OC)c3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/s0960-894x(00)00702-2 | ||
| 44314871 | 112470 | 0 | None | -1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 712 | 12 | 0 | 7 | 6.2 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N2CCOCC2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00464-9 | ||
| CHEMBL312573 | 112470 | 0 | None | -1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 712 | 12 | 0 | 7 | 6.2 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N2CCOCC2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00464-9 | ||
| 23625783 | 99637 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 663 | 11 | 4 | 5 | 3.5 | O=C(NCCCN1CCOCC1)[C@@H](Cc1ccccc1)NC(=O)C1(NC(=S)Nc2ccc(I)cc2)CCCC1 | 10.1021/jm070289w | ||
| CHEMBL243933 | 99637 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 663 | 11 | 4 | 5 | 3.5 | O=C(NCCCN1CCOCC1)[C@@H](Cc1ccccc1)NC(=O)C1(NC(=S)Nc2ccc(I)cc2)CCCC1 | 10.1021/jm070289w | ||
| 86275688 | 155086 | 0 | None | -1071 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 408 | 2 | 0 | 7 | 3.6 | Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)c(Cl)c2)C3C)n1 | nan | ||
| CHEMBL3936869 | 155086 | 0 | None | -1071 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 408 | 2 | 0 | 7 | 3.6 | Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)c(Cl)c2)C3C)n1 | nan | ||
| 44329339 | 119383 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 406 | 4 | 2 | 6 | 4.0 | CC(C)c1nc2[nH]c(N3CCOCC3)nc(Nc3ccc(C(F)(F)F)cc3)c-2n1 | 10.1016/0960-894X(95)00502-K | ||
| CHEMBL330220 | 119383 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 406 | 4 | 2 | 6 | 4.0 | CC(C)c1nc2[nH]c(N3CCOCC3)nc(Nc3ccc(C(F)(F)F)cc3)c-2n1 | 10.1016/0960-894X(95)00502-K | ||
| 44281744 | 120251 | 0 | None | 1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 739 | 11 | 1 | 6 | 7.8 | CO/N=C(\CN(C)S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| CHEMBL33194 | 120251 | 0 | None | 1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 739 | 11 | 1 | 6 | 7.8 | CO/N=C(\CN(C)S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| 2683 | 109665 | 25 | None | -398 | 16 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
| CHEMBL305906 | 109665 | 25 | None | -398 | 16 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
| CHEMBL334255 | 109665 | 25 | None | -398 | 16 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
| 4529080 | 174272 | 7 | None | -93 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 396 | 5 | 1 | 4 | 4.5 | COC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 | 10.1021/jm9602423 | ||
| CHEMBL429951 | 174272 | 7 | None | -93 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 396 | 5 | 1 | 4 | 4.5 | COC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 | 10.1021/jm9602423 | ||
| 4529080 | 174272 | 7 | None | -93 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 396 | 5 | 1 | 4 | 4.5 | COC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 | 10.1021/jm960818o | ||
| CHEMBL429951 | 174272 | 7 | None | -93 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 396 | 5 | 1 | 4 | 4.5 | COC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 | 10.1021/jm960818o | ||
| 44329600 | 10987 | 0 | None | - | 1 | Golden hamster | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 340 | 3 | 1 | 5 | 3.9 | Clc1ccc(Nc2nc(N3CCOCC3)nc3ccccc23)cc1 | 10.1016/0960-894X(95)00502-K | ||
| CHEMBL100264 | 10987 | 0 | None | - | 1 | Golden hamster | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 340 | 3 | 1 | 5 | 3.9 | Clc1ccc(Nc2nc(N3CCOCC3)nc3ccccc23)cc1 | 10.1016/0960-894X(95)00502-K | ||
| 44337173 | 13461 | 0 | None | 30 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 582 | 7 | 2 | 5 | 4.6 | Cc1cc(C)cc(C(=O)N2CCN(C(=O)CNC3CCN(Cc4ncc[nH]4)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 | 10.1016/s0960-894x(02)00645-5 | ||
| CHEMBL108350 | 13461 | 0 | None | 30 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 582 | 7 | 2 | 5 | 4.6 | Cc1cc(C)cc(C(=O)N2CCN(C(=O)CNC3CCN(Cc4ncc[nH]4)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 | 10.1016/s0960-894x(02)00645-5 | ||
| 44281650 | 120574 | 0 | None | -1 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 651 | 11 | 1 | 7 | 6.5 | CO/N=C(\CN(C)C(=O)c1cc(C)nc(N2CCCC2)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| CHEMBL33243 | 120574 | 0 | None | -1 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 651 | 11 | 1 | 7 | 6.5 | CO/N=C(\CN(C)C(=O)c1cc(C)nc(N2CCCC2)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| 44282002 | 132284 | 0 | None | 4 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 657 | 13 | 1 | 8 | 6.3 | CO/N=C(\CN(C)C(=O)c1cc(OC)c(OC)c(OC)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| CHEMBL36462 | 132284 | 0 | None | 4 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 657 | 13 | 1 | 8 | 6.3 | CO/N=C(\CN(C)C(=O)c1cc(OC)c(OC)c(OC)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| 9810288 | 210470 | 0 | None | -8 | 2 | Guinea pig | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 697 | 12 | 1 | 6 | 6.1 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(N2CCCC(CC(N)=O)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| CHEMBL67508 | 210470 | 0 | None | -8 | 2 | Guinea pig | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 697 | 12 | 1 | 6 | 6.1 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(N2CCCC(CC(N)=O)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00340-2 | ||
| 44315421 | 112505 | 0 | None | -2 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 765 | 14 | 1 | 8 | 7.4 | CO/N=C(\CN(CCF)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(n2c(=O)n(CC(=O)O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00462-6 | ||
| CHEMBL312612 | 112505 | 0 | None | -2 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 765 | 14 | 1 | 8 | 7.4 | CO/N=C(\CN(CCF)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(n2c(=O)n(CC(=O)O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00462-6 | ||
| 44380090 | 127498 | 0 | None | -1 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 684 | 13 | 0 | 6 | 7.0 | COCCO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| CHEMBL354771 | 127498 | 0 | None | -1 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 684 | 13 | 0 | 6 | 7.0 | COCCO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| 25109291 | 198165 | 10 | None | -72 | 8 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 327 | 1 | 2 | 6 | 1.7 | Nc1nc2c(c(N3CCNCC3)n1)CCC1=C2[C@@H]2CCCC[C@@H]2O1 | 10.1021/jm8007618 | ||
| CHEMBL519240 | 198165 | 10 | None | -72 | 8 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 327 | 1 | 2 | 6 | 1.7 | Nc1nc2c(c(N3CCNCC3)n1)CCC1=C2[C@@H]2CCCC[C@@H]2O1 | 10.1021/jm8007618 | ||
| 44577892 | 178602 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 620 | 12 | 3 | 6 | 4.4 | CSc1ccc(C(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCC3CCN(CC4CCOCC4)CC3)CCCC2)cc1 | 10.1016/j.bmcl.2008.06.102 | ||
| CHEMBL446853 | 178602 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 620 | 12 | 3 | 6 | 4.4 | CSc1ccc(C(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCC3CCN(CC4CCOCC4)CC3)CCCC2)cc1 | 10.1016/j.bmcl.2008.06.102 | ||
| 11285910 | 148817 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 727 | 8 | 5 | 7 | 1.1 | CS(=O)(=O)N1CCN([C@@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)CC1 | 10.1021/jm040832y | ||
| CHEMBL387700 | 148817 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 727 | 8 | 5 | 7 | 1.1 | CS(=O)(=O)N1CCN([C@@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)CC1 | 10.1021/jm040832y | ||
| 11181079 | 170338 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 580 | 6 | 6 | 5 | 1.5 | N[C@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O | 10.1021/jm040832y | ||
| CHEMBL420308 | 170338 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 580 | 6 | 6 | 5 | 1.5 | N[C@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O | 10.1021/jm040832y | ||
| 11296497 | 175690 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 580 | 6 | 6 | 5 | 1.5 | N[C@H]1CC(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm040832y | ||
| CHEMBL438559 | 175690 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 580 | 6 | 6 | 5 | 1.5 | N[C@H]1CC(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm040832y | ||
| 23626109 | 173469 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 576 | 11 | 4 | 6 | 3.6 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCC(O)CC2)CCCC1)c1cc2ccccc2s1 | 10.1021/jm070289w | ||
| CHEMBL428217 | 173469 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 576 | 11 | 4 | 6 | 3.6 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCC(O)CC2)CCCC1)c1cc2ccccc2s1 | 10.1021/jm070289w | ||
| 44342780 | 116934 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 604 | 6 | 6 | 4 | 3.0 | O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)CN1 | 10.1021/jm011127h | ||
| CHEMBL323677 | 116934 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 604 | 6 | 6 | 4 | 3.0 | O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)CN1 | 10.1021/jm011127h | ||
| 44343083 | 117171 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 585 | 6 | 5 | 5 | 2.6 | O=C1CCC(=O)N[C@@H](CC2CNc3ccc(F)cc32)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CN1 | 10.1021/jm011127h | ||
| CHEMBL324313 | 117171 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 585 | 6 | 5 | 5 | 2.6 | O=C1CCC(=O)N[C@@H](CC2CNc3ccc(F)cc32)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CN1 | 10.1021/jm011127h | ||
| 11181079 | 170338 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 580 | 6 | 6 | 5 | 1.5 | N[C@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O | 10.1021/jm011127h | ||
| CHEMBL420308 | 170338 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 580 | 6 | 6 | 5 | 1.5 | N[C@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O | 10.1021/jm011127h | ||
| 11296497 | 175690 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 580 | 6 | 6 | 5 | 1.5 | N[C@H]1CC(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm011127h | ||
| CHEMBL438559 | 175690 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 580 | 6 | 6 | 5 | 1.5 | N[C@H]1CC(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm011127h | ||
| 44380131 | 64387 | 0 | None | -3 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 746 | 14 | 0 | 7 | 6.8 | CN(C/C(=N\OCCCS(C)(=O)=O)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| CHEMBL166828 | 64387 | 0 | None | -3 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 746 | 14 | 0 | 7 | 6.8 | CN(C/C(=N\OCCCS(C)(=O)=O)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| 44337330 | 12104 | 0 | None | 6 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 649 | 8 | 2 | 5 | 4.8 | Cc1cc(C)cc(C(=O)N2CCN(C(=O)CNC3CCN(C(=O)[C@@H](N)Cc4ccccc4)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 | 10.1016/s0960-894x(02)00645-5 | ||
| CHEMBL106816 | 12104 | 0 | None | 6 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 649 | 8 | 2 | 5 | 4.8 | Cc1cc(C)cc(C(=O)N2CCN(C(=O)CNC3CCN(C(=O)[C@@H](N)Cc4ccccc4)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 | 10.1016/s0960-894x(02)00645-5 | ||
| 53322827 | 65259 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 657 | 12 | 3 | 6 | 4.6 | O=C(NC1(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC2CCN(CC3CCOCC3)CC2)CCCC1)c1ccc(-n2cccc2)cc1F | 10.1016/j.bmcl.2011.01.074 | ||
| CHEMBL1683148 | 65259 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 657 | 12 | 3 | 6 | 4.6 | O=C(NC1(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC2CCN(CC3CCOCC3)CC2)CCCC1)c1ccc(-n2cccc2)cc1F | 10.1016/j.bmcl.2011.01.074 | ||
| 44337266 | 12070 | 0 | None | 27 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 564 | 7 | 1 | 4 | 5.3 | O=C(c1ccccc1)N1CCN(C(=O)CNC2CCN(Cc3ccccc3)CC2)C(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/s0960-894x(02)00645-5 | ||
| CHEMBL106608 | 12070 | 0 | None | 27 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 564 | 7 | 1 | 4 | 5.3 | O=C(c1ccccc1)N1CCN(C(=O)CNC2CCN(Cc3ccccc3)CC2)C(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/s0960-894x(02)00645-5 | ||
| 44337313 | 115380 | 0 | None | 7 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 592 | 7 | 1 | 4 | 5.9 | Cc1cc(C)cc(C(=O)N2CCN(C(=O)CNC3CCN(Cc4ccccc4)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 | 10.1016/s0960-894x(02)00645-5 | ||
| CHEMBL320487 | 115380 | 0 | None | 7 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 592 | 7 | 1 | 4 | 5.9 | Cc1cc(C)cc(C(=O)N2CCN(C(=O)CNC3CCN(Cc4ccccc4)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 | 10.1016/s0960-894x(02)00645-5 | ||
| 44380132 | 103202 | 0 | None | -4 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 730 | 14 | 0 | 6 | 7.2 | CN(C/C(=N\OCCC[S+](C)[O-])C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| CHEMBL262053 | 103202 | 0 | None | -4 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 730 | 14 | 0 | 6 | 7.2 | CN(C/C(=N\OCCC[S+](C)[O-])C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| 9914111 | 203478 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 504 | 10 | 1 | 3 | 6.5 | CCC(O)(CC)C1CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/s0960-894x(98)00037-7 | ||
| CHEMBL56481 | 203478 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 504 | 10 | 1 | 3 | 6.5 | CCC(O)(CC)C1CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/s0960-894x(98)00037-7 | ||
| 44315590 | 174587 | 0 | None | -1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 774 | 14 | 1 | 8 | 7.5 | CCNC(=O)Cn1c(=O)n(C2CCN(CC[C@@H](/C(CN(CC)C(=O)c3cc(Cl)cc(Cl)c3)=N/OC)c3ccc(Cl)c(Cl)c3)CC2)c2ccccc21 | 10.1016/s0960-894x(02)00462-6 | ||
| CHEMBL430609 | 174587 | 0 | None | -1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 774 | 14 | 1 | 8 | 7.5 | CCNC(=O)Cn1c(=O)n(C2CCN(CC[C@@H](/C(CN(CC)C(=O)c3cc(Cl)cc(Cl)c3)=N/OC)c3ccc(Cl)c(Cl)c3)CC2)c2ccccc21 | 10.1016/s0960-894x(02)00462-6 | ||
| 22405764 | 203928 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 490 | 10 | 1 | 3 | 6.1 | CCCC(O)C1CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/s0960-894x(98)00037-7 | ||
| CHEMBL56788 | 203928 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 490 | 10 | 1 | 3 | 6.1 | CCCC(O)C1CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/s0960-894x(98)00037-7 | ||
| 23626252 | 99337 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 576 | 12 | 4 | 6 | 3.9 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCNC2CCOCC2)CCCC1)c1cc2ccccc2s1 | 10.1021/jm070289w | ||
| CHEMBL243278 | 99337 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 576 | 12 | 4 | 6 | 3.9 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCNC2CCOCC2)CCCC1)c1cc2ccccc2s1 | 10.1021/jm070289w | ||
| 23625637 | 157705 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 613 | 11 | 4 | 5 | 3.8 | Cc1cc(NC(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCCN3CCOCC3)CCCC2)ccc1Br | 10.1021/jm070289w | ||
| CHEMBL395774 | 157705 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 613 | 11 | 4 | 5 | 3.8 | Cc1cc(NC(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCCN3CCOCC3)CCCC2)ccc1Br | 10.1021/jm070289w | ||
| 10025437 | 22413 | 0 | None | - | 1 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 425 | 5 | 1 | 3 | 4.5 | O=C1OC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1Cc1ccc(F)cc1 | 10.1021/jm00019a006 | ||
| CHEMBL122169 | 22413 | 0 | None | - | 1 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 425 | 5 | 1 | 3 | 4.5 | O=C1OC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1Cc1ccc(F)cc1 | 10.1021/jm00019a006 | ||
| 10048714 | 23365 | 0 | None | - | 1 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 437 | 6 | 1 | 4 | 4.3 | COc1ccc(CN2CC3(CCN(CCc4c[nH]c5ccc(F)cc45)CC3)OC2=O)cc1 | 10.1021/jm00019a006 | ||
| CHEMBL124013 | 23365 | 0 | None | - | 1 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 437 | 6 | 1 | 4 | 4.3 | COc1ccc(CN2CC3(CCN(CCc4c[nH]c5ccc(F)cc45)CC3)OC2=O)cc1 | 10.1021/jm00019a006 | ||
| 44301859 | 206591 | 0 | None | 35481 | 2 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 400 | 6 | 2 | 3 | 3.5 | [O-][S@+](CC1(O)CCN(CCc2c[nH]c3ccc(F)cc23)CC1)c1ccccc1 | 10.1016/S0960-894X(01)80541-2 | ||
| CHEMBL59413 | 206591 | 0 | None | 35481 | 2 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 400 | 6 | 2 | 3 | 3.5 | [O-][S@+](CC1(O)CCN(CCc2c[nH]c3ccc(F)cc23)CC1)c1ccccc1 | 10.1016/S0960-894X(01)80541-2 | ||
| 10305816 | 10991 | 1 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 736 | 16 | 2 | 6 | 6.9 | O=C(c1ccccc1C(=O)N(CCCN1CCSCC1)CCc1c[nH]c2ccccc12)N(CCCN1CCSCC1)CCc1c[nH]c2ccccc12 | 10.1016/s0960-894x(02)00539-5 | ||
| CHEMBL100298 | 10991 | 1 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 736 | 16 | 2 | 6 | 6.9 | O=C(c1ccccc1C(=O)N(CCCN1CCSCC1)CCc1c[nH]c2ccccc12)N(CCCN1CCSCC1)CCc1c[nH]c2ccccc12 | 10.1016/s0960-894x(02)00539-5 | ||
| 44434193 | 95346 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 589 | 11 | 3 | 6 | 3.8 | CN1CCN(CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(NC(=O)c3cc4ccccc4s3)CCCCC2)CC1 | 10.1016/j.bmcl.2007.06.053 | ||
| CHEMBL235431 | 95346 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 589 | 11 | 3 | 6 | 3.8 | CN1CCN(CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(NC(=O)c3cc4ccccc4s3)CCCCC2)CC1 | 10.1016/j.bmcl.2007.06.053 | ||
| 44434185 | 96288 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 560 | 11 | 3 | 5 | 4.7 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCCC2)CCCCC1)c1cc2ccccc2s1 | 10.1016/j.bmcl.2007.06.053 | ||
| CHEMBL237304 | 96288 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 560 | 11 | 3 | 5 | 4.7 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCCC2)CCCCC1)c1cc2ccccc2s1 | 10.1016/j.bmcl.2007.06.053 | ||
| 44577887 | 176405 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 646 | 15 | 3 | 6 | 4.9 | CCCCOc1cccc(C(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCC3CCN(CC4CCOCC4)CC3)CCCC2)c1 | 10.1016/j.bmcl.2008.06.102 | ||
| CHEMBL443691 | 176405 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 646 | 15 | 3 | 6 | 4.9 | CCCCOc1cccc(C(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCC3CCN(CC4CCOCC4)CC3)CCCC2)c1 | 10.1016/j.bmcl.2008.06.102 | ||
| 44577897 | 176713 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 618 | 12 | 3 | 5 | 4.3 | O=C(/C=C/c1ccccc1F)NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCC2CCN(CC3CCOCC3)CC2)CCCC1 | 10.1016/j.bmcl.2008.06.102 | ||
| CHEMBL444142 | 176713 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 618 | 12 | 3 | 5 | 4.3 | O=C(/C=C/c1ccccc1F)NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCC2CCN(CC3CCOCC3)CC2)CCCC1 | 10.1016/j.bmcl.2008.06.102 | ||
| 44577888 | 180654 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 618 | 13 | 3 | 6 | 4.1 | CCOc1ccc(C(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCC3CCN(CC4CCOCC4)CC3)CCCC2)cc1 | 10.1016/j.bmcl.2008.06.102 | ||
| CHEMBL453961 | 180654 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 618 | 13 | 3 | 6 | 4.1 | CCOc1ccc(C(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCC3CCN(CC4CCOCC4)CC3)CCCC2)cc1 | 10.1016/j.bmcl.2008.06.102 | ||
| 71449112 | 85674 | 0 | None | -1 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 682 | 10 | 8 | 7 | 0.3 | O=C1CC(C(=O)NC(CO)CO)C(=O)NC[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1016/s0960-894x(01)00841-1 | ||
| CHEMBL2112926 | 85674 | 0 | None | -1 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 682 | 10 | 8 | 7 | 0.3 | O=C1CC(C(=O)NC(CO)CO)C(=O)NC[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1016/s0960-894x(01)00841-1 | ||
| 53326714 | 65258 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 673 | 12 | 3 | 6 | 5.2 | O=C(NC1(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC2CCN(CC3CCOCC3)CC2)CCCC1)c1ccc(-n2cccc2)cc1Cl | 10.1016/j.bmcl.2011.01.074 | ||
| CHEMBL1683147 | 65258 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 673 | 12 | 3 | 6 | 5.2 | O=C(NC1(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC2CCN(CC3CCOCC3)CC2)CCCC1)c1ccc(-n2cccc2)cc1Cl | 10.1016/j.bmcl.2011.01.074 | ||
| 44421495 | 91944 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 920 | 15 | 14 | 15 | -4.1 | O=C1CC(NC(=O)[C@@H](O)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)CO)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm040832y | ||
| CHEMBL225264 | 91944 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 920 | 15 | 14 | 15 | -4.1 | O=C1CC(NC(=O)[C@@H](O)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)CO)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm040832y | ||
| 10372391 | 16621 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 679 | 9 | 9 | 6 | 0.1 | N=C(N)NCC(=O)N[C@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O | 10.1021/jm011127h | ||
| CHEMBL114068 | 16621 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 679 | 9 | 9 | 6 | 0.1 | N=C(N)NCC(=O)N[C@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O | 10.1021/jm011127h | ||
| 44342904 | 17298 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 676 | 9 | 6 | 9 | 0.3 | O=C(Cn1cnnn1)N[C@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)NC1=O | 10.1021/jm011127h | ||
| CHEMBL116871 | 17298 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 676 | 9 | 6 | 9 | 0.3 | O=C(Cn1cnnn1)N[C@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)NC1=O | 10.1021/jm011127h | ||
| 44314502 | 211576 | 0 | None | -1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 712 | 12 | 1 | 7 | 5.9 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N2CCC(O)C2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00464-9 | ||
| CHEMBL75018 | 211576 | 0 | None | -1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 712 | 12 | 1 | 7 | 5.9 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N2CCC(O)C2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00464-9 | ||
| 23625326 | 156158 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 596 | 11 | 3 | 6 | 4.2 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1sc2ccccc2c1Cl | 10.1021/jm070289w | ||
| CHEMBL394543 | 156158 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 596 | 11 | 3 | 6 | 4.2 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1sc2ccccc2c1Cl | 10.1021/jm070289w | ||
| 44391011 | 71145 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 502 | 11 | 3 | 5 | 4.1 | O=C(Nc1cccc(Oc2ccccc2)c1)N[C@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 | 10.1016/j.bmcl.2004.11.045 | ||
| CHEMBL181291 | 71145 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 502 | 11 | 3 | 5 | 4.1 | O=C(Nc1cccc(Oc2ccccc2)c1)N[C@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 | 10.1016/j.bmcl.2004.11.045 | ||
| 44337467 | 116992 | 0 | None | -17 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 821 | 13 | 2 | 7 | 7.8 | O=C(CN(NC1CCN(Cc2ccccc2)CC1)NC1CCN(Cc2ccccc2)CC1)N1CCN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1c1ccccc1 | 10.1016/s0960-894x(02)00645-5 | ||
| CHEMBL323741 | 116992 | 0 | None | -17 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 821 | 13 | 2 | 7 | 7.8 | O=C(CN(NC1CCN(Cc2ccccc2)CC1)NC1CCN(Cc2ccccc2)CC1)N1CCN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1c1ccccc1 | 10.1016/s0960-894x(02)00645-5 | ||
| 44391005 | 129109 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 438 | 10 | 2 | 4 | 2.3 | CN(Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 | 10.1016/j.bmcl.2004.11.045 | ||
| CHEMBL359885 | 129109 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 438 | 10 | 2 | 4 | 2.3 | CN(Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 | 10.1016/j.bmcl.2004.11.045 | ||
| 44391123 | 129137 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 471 | 10 | 2 | 4 | 3.5 | O=C(N[C@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.11.045 | ||
| CHEMBL360023 | 129137 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 471 | 10 | 2 | 4 | 3.5 | O=C(N[C@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.11.045 | ||
| 86275685 | 152056 | 0 | None | -416 | 2 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 392 | 2 | 0 | 7 | 3.1 | Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)c(Cl)c2)C3C)n1 | nan | ||
| CHEMBL3913001 | 152056 | 0 | None | -416 | 2 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 392 | 2 | 0 | 7 | 3.1 | Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)c(Cl)c2)C3C)n1 | nan | ||
| 10022196 | 215066 | 0 | None | -45 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 372 | 4 | 2 | 6 | 3.7 | CC(C)c1nc2[nH]c(N3CCOCC3)nc(Nc3ccc(Cl)cc3)c-2n1 | 10.1016/0960-894X(95)00502-K | ||
| CHEMBL98977 | 215066 | 0 | None | -45 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 372 | 4 | 2 | 6 | 3.7 | CC(C)c1nc2[nH]c(N3CCOCC3)nc(Nc3ccc(Cl)cc3)c-2n1 | 10.1016/0960-894X(95)00502-K | ||
| 44314503 | 211772 | 0 | None | -1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 698 | 12 | 1 | 7 | 5.5 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N2CC(O)C2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00464-9 | ||
| CHEMBL76704 | 211772 | 0 | None | -1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 698 | 12 | 1 | 7 | 5.5 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N2CC(O)C2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00464-9 | ||
| 9931729 | 107770 | 0 | None | - | 1 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 416 | 6 | 2 | 4 | 3.2 | O=S(=O)(CC1(O)CCN(CCc2c[nH]c3ccc(F)cc23)CC1)c1ccccc1 | 10.1016/S0960-894X(01)80541-2 | ||
| CHEMBL294336 | 107770 | 0 | None | - | 1 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 416 | 6 | 2 | 4 | 3.2 | O=S(=O)(CC1(O)CCN(CCc2c[nH]c3ccc(F)cc23)CC1)c1ccccc1 | 10.1016/S0960-894X(01)80541-2 | ||
| 44301695 | 208168 | 0 | None | - | 1 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 382 | 6 | 2 | 3 | 4.1 | Cc1ccccc1OCC1(O)CCN(CCc2c[nH]c3ccc(F)cc23)CC1 | 10.1016/S0960-894X(01)80541-2 | ||
| CHEMBL60459 | 208168 | 0 | None | - | 1 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 382 | 6 | 2 | 3 | 4.1 | Cc1ccccc1OCC1(O)CCN(CCc2c[nH]c3ccc(F)cc23)CC1 | 10.1016/S0960-894X(01)80541-2 | ||
| 10122872 | 114538 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 704 | 16 | 2 | 6 | 5.5 | O=C(c1ccccc1C(=O)N(CCCN1CCOCC1)CCc1c[nH]c2ccccc12)N(CCCN1CCOCC1)CCc1c[nH]c2ccccc12 | 10.1016/s0960-894x(02)00539-5 | ||
| CHEMBL319154 | 114538 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 704 | 16 | 2 | 6 | 5.5 | O=C(c1ccccc1C(=O)N(CCCN1CCOCC1)CCc1c[nH]c2ccccc12)N(CCCN1CCOCC1)CCc1c[nH]c2ccccc12 | 10.1016/s0960-894x(02)00539-5 | ||
| 44434195 | 95369 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 652 | 17 | 3 | 5 | 6.6 | CCCCN(CCCC)CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCc2ccccc21 | 10.1016/j.bmcl.2007.06.053 | ||
| CHEMBL235574 | 95369 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 652 | 17 | 3 | 5 | 6.6 | CCCCN(CCCC)CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCc2ccccc21 | 10.1016/j.bmcl.2007.06.053 | ||
| 44434186 | 161572 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 576 | 12 | 3 | 5 | 5.3 | CC(C)N(CCNC(=O)C(Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1)C(C)C | 10.1016/j.bmcl.2007.06.053 | ||
| CHEMBL400209 | 161572 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 576 | 12 | 3 | 5 | 5.3 | CC(C)N(CCNC(=O)C(Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1)C(C)C | 10.1016/j.bmcl.2007.06.053 | ||
| 44391033 | 130336 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 487 | 11 | 2 | 5 | 3.1 | CC(C)(Oc1cccc(Cl)c1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 | 10.1016/j.bmcl.2004.11.045 | ||
| CHEMBL361815 | 130336 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 487 | 11 | 2 | 5 | 3.1 | CC(C)(Oc1cccc(Cl)c1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 | 10.1016/j.bmcl.2004.11.045 | ||
| 44390451 | 172964 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 532 | 12 | 3 | 6 | 4.1 | COc1ccc(Oc2ccc(NC(=O)N[C@@H](Cc3ccccc3)C(=O)NCCCN3CCOCC3)cc2)cc1 | 10.1016/j.bmcl.2004.11.045 | ||
| CHEMBL426421 | 172964 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 532 | 12 | 3 | 6 | 4.1 | COc1ccc(Oc2ccc(NC(=O)N[C@@H](Cc3ccccc3)C(=O)NCCCN3CCOCC3)cc2)cc1 | 10.1016/j.bmcl.2004.11.045 | ||
| 44391026 | 130690 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 529 | 12 | 2 | 5 | 4.1 | CC(C)(Oc1ccccc1-c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 | 10.1016/j.bmcl.2004.11.045 | ||
| CHEMBL362800 | 130690 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 529 | 12 | 2 | 5 | 4.1 | CC(C)(Oc1ccccc1-c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 | 10.1016/j.bmcl.2004.11.045 | ||
| CHEMBL2111789 | 215998 | 0 | None | 3 | 2 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)[C@H](Cc2ccc(OC(C)(C)C)cc2)NC(=O)CNC1=O | 10.1021/jm00029a007 | ||||
| 44266551 | 105104 | 0 | None | -58 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 394 | 6 | 1 | 2 | 6.3 | CCc1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@H](CC)c1ccccc1 | 10.1021/jm980633c | ||
| CHEMBL275017 | 105104 | 0 | None | -58 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 394 | 6 | 1 | 2 | 6.3 | CCc1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@H](CC)c1ccccc1 | 10.1021/jm980633c | ||
| 10626894 | 16694 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 571 | 6 | 5 | 4 | 3.3 | O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CC2CCCCC2)CN1 | 10.1021/jm0010217 | ||
| CHEMBL114442 | 16694 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 571 | 6 | 5 | 4 | 3.3 | O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CC2CCCCC2)CN1 | 10.1021/jm0010217 | ||
| 44434162 | 152600 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 489 | 8 | 3 | 4 | 4.3 | O=C(NC1(C(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CC2)CCCCC1)c1cc2ccccc2s1 | 10.1016/j.bmcl.2007.06.053 | ||
| CHEMBL391710 | 152600 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 489 | 8 | 3 | 4 | 4.3 | O=C(NC1(C(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CC2)CCCCC1)c1cc2ccccc2s1 | 10.1016/j.bmcl.2007.06.053 | ||
| 44434163 | 153638 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 534 | 11 | 3 | 5 | 4.1 | CN(C)CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1 | 10.1016/j.bmcl.2007.06.053 | ||
| CHEMBL392523 | 153638 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 534 | 11 | 3 | 5 | 4.1 | CN(C)CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1 | 10.1016/j.bmcl.2007.06.053 | ||
| 44434160 | 174127 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 562 | 11 | 4 | 5 | 4.1 | CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1)C(N)=O | 10.1016/j.bmcl.2007.06.053 | ||
| CHEMBL429452 | 174127 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 562 | 11 | 4 | 5 | 4.1 | CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1)C(N)=O | 10.1016/j.bmcl.2007.06.053 | ||
| 10626894 | 16694 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 571 | 6 | 5 | 4 | 3.3 | O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CC2CCCCC2)CN1 | 10.1021/jm011127h | ||
| CHEMBL114442 | 16694 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 571 | 6 | 5 | 4 | 3.3 | O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CC2CCCCC2)CN1 | 10.1021/jm011127h | ||
| 10985363 | 17294 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 703 | 9 | 5 | 6 | 3.6 | C=CCOC(=O)[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1 | 10.1021/jm011127h | ||
| CHEMBL116855 | 17294 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 703 | 9 | 5 | 6 | 3.6 | C=CCOC(=O)[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1 | 10.1021/jm011127h | ||
| 10875451 | 117135 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 565 | 6 | 5 | 4 | 2.6 | O=C1CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm011127h | ||
| CHEMBL324106 | 117135 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 565 | 6 | 5 | 4 | 2.6 | O=C1CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm011127h | ||
| 448537 | 167029 | 89 | None | -26 | 25 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | nan | ||
| CHEMBL411 | 167029 | 89 | None | -26 | 25 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | nan | ||
| 44390446 | 71238 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 550 | 12 | 3 | 5 | 4.5 | O=C(Nc1ccc(OCc2cccc(Cl)c2)cc1)N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 | 10.1016/j.bmcl.2004.11.045 | ||
| CHEMBL181359 | 71238 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 550 | 12 | 3 | 5 | 4.5 | O=C(Nc1ccc(OCc2cccc(Cl)c2)cc1)N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 | 10.1016/j.bmcl.2004.11.045 | ||
| 86275451 | 166872 | 0 | None | -4466 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 420 | 4 | 0 | 8 | 3.8 | CCc1noc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 | nan | ||
| CHEMBL4108623 | 166872 | 0 | None | -4466 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 420 | 4 | 0 | 8 | 3.8 | CCc1noc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 | nan | ||
| 10668461 | 86238 | 0 | None | -181 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 396 | 6 | 1 | 3 | 5.8 | CC[C@H](NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1ccccc1 | 10.1021/jm980633c | ||
| CHEMBL2113673 | 86238 | 0 | None | -181 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 396 | 6 | 1 | 3 | 5.8 | CC[C@H](NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1ccccc1 | 10.1021/jm980633c | ||
| 44363936 | 26807 | 0 | None | -1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 782 | 14 | 1 | 7 | 9.0 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(CN2CCCC(OC(=O)NC(C)C)C2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00702-2 | ||
| CHEMBL130354 | 26807 | 0 | None | -1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 782 | 14 | 1 | 7 | 9.0 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(CN2CCCC(OC(=O)NC(C)C)C2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00702-2 | ||
| 10552329 | 174823 | 0 | None | -1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 470 | 6 | 2 | 4 | 5.5 | C[C@H](NC(=O)c1c(CN2CCC(N)CC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1 | 10.1021/jm000501v | ||
| CHEMBL432301 | 174823 | 0 | None | -1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 470 | 6 | 2 | 4 | 5.5 | C[C@H](NC(=O)c1c(CN2CCC(N)CC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1 | 10.1021/jm000501v | ||
| 9874473 | 48582 | 0 | None | -16 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 659 | 10 | 0 | 4 | 8.4 | CCc1c(C#N)cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(c2ccccc2[S@+](C)[O-])CC1)c1ccc(Cl)c(Cl)c1 | 10.1021/jm030197g | ||
| CHEMBL149326 | 48582 | 0 | None | -16 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 659 | 10 | 0 | 4 | 8.4 | CCc1c(C#N)cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(c2ccccc2[S@+](C)[O-])CC1)c1ccc(Cl)c(Cl)c1 | 10.1021/jm030197g | ||
| 44314504 | 109693 | 0 | None | -1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 682 | 12 | 0 | 6 | 6.6 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N2CCC2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00464-9 | ||
| CHEMBL306121 | 109693 | 0 | None | -1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 682 | 12 | 0 | 6 | 6.6 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N2CCC2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00464-9 | ||
| 22405732 | 203174 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 462 | 8 | 1 | 3 | 5.3 | CC(O)C1CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/s0960-894x(98)00037-7 | ||
| CHEMBL56274 | 203174 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 462 | 8 | 1 | 3 | 5.3 | CC(O)C1CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/s0960-894x(98)00037-7 | ||
| 11496610 | 10847 | 13 | None | 2 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 476 | 4 | 1 | 5 | 5.8 | CC(c1ccc(cc1)c1[nH]c2c(n1)cccc2N1CCN(CC1)Cc1ccc2c(c1)nccn2)(C)C | 10.1021/jm801572m | ||
| 5582 | 10847 | 13 | None | 2 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 476 | 4 | 1 | 5 | 5.8 | CC(c1ccc(cc1)c1[nH]c2c(n1)cccc2N1CCN(CC1)Cc1ccc2c(c1)nccn2)(C)C | 10.1021/jm801572m | ||
| CHEMBL474991 | 10847 | 13 | None | 2 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 476 | 4 | 1 | 5 | 5.8 | CC(c1ccc(cc1)c1[nH]c2c(n1)cccc2N1CCN(CC1)Cc1ccc2c(c1)nccn2)(C)C | 10.1021/jm801572m | ||
| 73353047 | 96181 | 0 | None | -1 | 2 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 746 | 6 | 8 | 9 | -1.1 | COc1ccc(C(O)C2NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CNC2=O)cc1 | 10.1021/jm00029a007 | ||
| CHEMBL2370509 | 96181 | 0 | None | -1 | 2 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 746 | 6 | 8 | 9 | -1.1 | COc1ccc(C(O)C2NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CNC2=O)cc1 | 10.1021/jm00029a007 | ||
| 44281358 | 105039 | 0 | None | -3 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 674 | 11 | 1 | 4 | 9.5 | CO/N=C(\CCCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| CHEMBL274557 | 105039 | 0 | None | -3 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 674 | 11 | 1 | 4 | 9.5 | CO/N=C(\CCCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| 2812 | 11551 | 101 | None | -28 | 34 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | ||
| CHEMBL104 | 11551 | 101 | None | -28 | 34 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | ||
| 44314868 | 162477 | 0 | None | -3 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 705 | 13 | 3 | 5 | 7.1 | NC(=O)CN[C@@H](COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00463-7 | ||
| CHEMBL405129 | 162477 | 0 | None | -3 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 705 | 13 | 3 | 5 | 7.1 | NC(=O)CN[C@@H](COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00463-7 | ||
| 44314867 | 164106 | 0 | None | -8 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 705 | 13 | 3 | 5 | 7.1 | NC(=O)CNC(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00463-7 | ||
| CHEMBL407749 | 164106 | 0 | None | -8 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 705 | 13 | 3 | 5 | 7.1 | NC(=O)CNC(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00463-7 | ||
| 44329374 | 215065 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 430 | 6 | 2 | 7 | 4.5 | COC1(OC)CCN(c2nc(Nc3ccc(Cl)cc3)c3[nH]c(C(C)C)nc3n2)CC1 | 10.1016/0960-894X(95)00502-K | ||
| CHEMBL98976 | 215065 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 430 | 6 | 2 | 7 | 4.5 | COC1(OC)CCN(c2nc(Nc3ccc(Cl)cc3)c3[nH]c(C(C)C)nc3n2)CC1 | 10.1016/0960-894X(95)00502-K | ||
| 44329484 | 214747 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 344 | 6 | 3 | 5 | 4.7 | CCCNc1nc(Nc2ccc(Cl)cc2)c2[nH]c(C(C)C)nc2n1 | 10.1016/0960-894X(95)00502-K | ||
| CHEMBL97140 | 214747 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 344 | 6 | 3 | 5 | 4.7 | CCCNc1nc(Nc2ccc(Cl)cc2)c2[nH]c(C(C)C)nc2n1 | 10.1016/0960-894X(95)00502-K | ||
| 44281572 | 117169 | 0 | None | -1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 705 | 10 | 2 | 6 | 8.7 | CO/N=C(\COC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| CHEMBL32431 | 117169 | 0 | None | -1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 705 | 10 | 2 | 6 | 8.7 | CO/N=C(\COC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| 9874473 | 48582 | 0 | None | -16 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 659 | 10 | 0 | 4 | 8.4 | CCc1c(C#N)cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(c2ccccc2[S@+](C)[O-])CC1)c1ccc(Cl)c(Cl)c1 | 10.1021/jm030197g | ||
| CHEMBL149326 | 48582 | 0 | None | -16 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 659 | 10 | 0 | 4 | 8.4 | CCc1c(C#N)cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(c2ccccc2[S@+](C)[O-])CC1)c1ccc(Cl)c(Cl)c1 | 10.1021/jm030197g | ||
| 9852904 | 123815 | 0 | None | -128 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 677 | 10 | 1 | 6 | 5.9 | CNC(=O)C1(N2CCCCC2=O)CCN(CC[C@H](CN(C)C(=O)c2c(OC)c(C#N)cc3ccccc23)c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm020094i | ||
| CHEMBL339051 | 123815 | 0 | None | -128 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 677 | 10 | 1 | 6 | 5.9 | CNC(=O)C1(N2CCCCC2=O)CCN(CC[C@H](CN(C)C(=O)c2c(OC)c(C#N)cc3ccccc23)c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm020094i | ||
| 2110 | 9743 | 38 | None | -138 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 605 | 8 | 0 | 3 | 7.4 | O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 | 10.1021/jm900948q | ||
| 219077 | 9743 | 38 | None | -138 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 605 | 8 | 0 | 3 | 7.4 | O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 | 10.1021/jm900948q | ||
| 3480 | 9743 | 38 | None | -138 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 605 | 8 | 0 | 3 | 7.4 | O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 | 10.1021/jm900948q | ||
| CHEMBL346178 | 9743 | 38 | None | -138 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 605 | 8 | 0 | 3 | 7.4 | O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 | 10.1021/jm900948q | ||
| DB04872 | 9743 | 38 | None | -138 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 605 | 8 | 0 | 3 | 7.4 | O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 | 10.1021/jm900948q | ||
| 44380474 | 65557 | 0 | None | -13 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 678 | 12 | 2 | 5 | 8.2 | CONC(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| CHEMBL168769 | 65557 | 0 | None | -13 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 678 | 12 | 2 | 5 | 8.2 | CONC(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| 44314481 | 211715 | 0 | None | -10 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 662 | 10 | 2 | 5 | 8.5 | O/N=C(/COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00463-7 | ||
| CHEMBL76334 | 211715 | 0 | None | -10 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 662 | 10 | 2 | 5 | 8.5 | O/N=C(/COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00463-7 | ||
| 86275686 | 153944 | 0 | None | -851 | 2 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 392 | 2 | 0 | 7 | 3.1 | Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)c(F)c2)C3C)n1 | nan | ||
| CHEMBL3927872 | 153944 | 0 | None | -851 | 2 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 392 | 2 | 0 | 7 | 3.1 | Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)c(F)c2)C3C)n1 | nan | ||
| 86274728 | 167735 | 0 | None | -1380 | 2 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 394 | 2 | 0 | 7 | 2.7 | Cc1nsc(-c2nnc3n2CCN(C(=O)c2cc(F)c(F)c(F)c2)[C@@H]3C)n1 | nan | ||
| CHEMBL4115594 | 167735 | 0 | None | -1380 | 2 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 394 | 2 | 0 | 7 | 2.7 | Cc1nsc(-c2nnc3n2CCN(C(=O)c2cc(F)c(F)c(F)c2)[C@@H]3C)n1 | nan | ||
| 44314865 | 211892 | 0 | None | -3 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 738 | 13 | 0 | 6 | 8.1 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N(C)C2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00464-9 | ||
| CHEMBL77752 | 211892 | 0 | None | -3 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 738 | 13 | 0 | 6 | 8.1 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N(C)C2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00464-9 | ||
| 9874473 | 48582 | 0 | None | -16 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 659 | 10 | 0 | 4 | 8.4 | CCc1c(C#N)cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(c2ccccc2[S@+](C)[O-])CC1)c1ccc(Cl)c(Cl)c1 | 10.1021/jm030197g | ||
| CHEMBL149326 | 48582 | 0 | None | -16 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 659 | 10 | 0 | 4 | 8.4 | CCc1c(C#N)cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(c2ccccc2[S@+](C)[O-])CC1)c1ccc(Cl)c(Cl)c1 | 10.1021/jm030197g | ||
| 2132 | 10516 | 58 | None | -97 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 382 | 5 | 2 | 3 | 5.5 | CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 | 10.1016/j.bmcl.2011.02.033 | ||
| 5311424 | 10516 | 58 | None | -97 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 382 | 5 | 2 | 3 | 5.5 | CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 | 10.1016/j.bmcl.2011.02.033 | ||
| CHEMBL10188 | 10516 | 58 | None | -97 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 382 | 5 | 2 | 3 | 5.5 | CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 | 10.1016/j.bmcl.2011.02.033 | ||
| 2089 | 9542 | 28 | None | -3548 | 5 | Guinea pig | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00073a022 | ||||
| 3795 | 9542 | 28 | None | -3548 | 5 | Guinea pig | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00073a022 | ||||
| 5311311 | 9542 | 28 | None | -3548 | 5 | Guinea pig | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00073a022 | ||||
| CHEMBL217406 | 9542 | 28 | None | -3548 | 5 | Guinea pig | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00073a022 | ||||
| 86274964 | 167126 | 0 | None | -758 | 2 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 374 | 2 | 0 | 7 | 3.0 | Cc1nsc(-c2nnc3n2CCN(C(=O)c2cccc(Cl)c2)[C@@H]3C)n1 | nan | ||
| CHEMBL4110770 | 167126 | 0 | None | -758 | 2 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 374 | 2 | 0 | 7 | 3.0 | Cc1nsc(-c2nnc3n2CCN(C(=O)c2cccc(Cl)c2)[C@@H]3C)n1 | nan | ||
| 44281485 | 122036 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 616 | 12 | 1 | 5 | 8.3 | CO/N=C(\COCc1ccc(-c2ccccc2)cc1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| CHEMBL33479 | 122036 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 616 | 12 | 1 | 5 | 8.3 | CO/N=C(\COCc1ccc(-c2ccccc2)cc1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| 44314873 | 211569 | 0 | None | -2 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 726 | 12 | 1 | 7 | 6.3 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N2CCCC(O)C2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00464-9 | ||
| CHEMBL74918 | 211569 | 0 | None | -2 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 726 | 12 | 1 | 7 | 6.3 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N2CCCC(O)C2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00464-9 | ||
| 73351579 | 96180 | 0 | None | 2 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 800 | 7 | 9 | 9 | 0.1 | CC(C)=CCc1cc(C(O)C2NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CNC2=O)ccc1O | 10.1021/jm00029a007 | ||
| CHEMBL2370507 | 96180 | 0 | None | 2 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 800 | 7 | 9 | 9 | 0.1 | CC(C)=CCc1cc(C(O)C2NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CNC2=O)ccc1O | 10.1021/jm00029a007 | ||
| 44314945 | 211775 | 0 | None | -9 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 728 | 17 | 1 | 7 | 6.9 | CCOCCCNC(=O)CN1CCN(CCC(/C(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)=N/OC)c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/s0960-894x(00)00464-9 | ||
| CHEMBL76727 | 211775 | 0 | None | -9 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 728 | 17 | 1 | 7 | 6.9 | CCOCCCNC(=O)CN1CCN(CCC(/C(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)=N/OC)c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/s0960-894x(00)00464-9 | ||
| 44363982 | 42440 | 0 | None | -2 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 683 | 12 | 0 | 6 | 7.8 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(CN2CCOCC2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00702-2 | ||
| CHEMBL144010 | 42440 | 0 | None | -2 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 683 | 12 | 0 | 6 | 7.8 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(CN2CCOCC2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00702-2 | ||
| 44364030 | 43421 | 0 | None | 1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 711 | 13 | 1 | 6 | 8.1 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(CN2CCCC(CO)C2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00702-2 | ||
| CHEMBL144887 | 43421 | 0 | None | 1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 711 | 13 | 1 | 6 | 8.1 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(CN2CCCC(CO)C2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00702-2 | ||
| 44434164 | 173831 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 562 | 13 | 3 | 5 | 4.9 | CCN(CC)CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1 | 10.1016/j.bmcl.2007.06.053 | ||
| CHEMBL428905 | 173831 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 562 | 13 | 3 | 5 | 4.9 | CCN(CC)CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1 | 10.1016/j.bmcl.2007.06.053 | ||
| 44380473 | 127562 | 0 | None | -549 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 684 | 12 | 1 | 6 | 6.5 | CN(C/C(=N\OCC(=O)O)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| CHEMBL355429 | 127562 | 0 | None | -549 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 684 | 12 | 1 | 6 | 6.5 | CN(C/C(=N\OCC(=O)O)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| 44314476 | 111859 | 0 | None | -12 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 676 | 11 | 1 | 5 | 8.7 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00463-7 | ||
| CHEMBL311387 | 111859 | 0 | None | -12 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 676 | 11 | 1 | 5 | 8.7 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00463-7 | ||
| 44434166 | 95527 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 534 | 12 | 4 | 5 | 4.3 | NCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1 | 10.1016/j.bmcl.2007.06.053 | ||
| CHEMBL236248 | 95527 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 534 | 12 | 4 | 5 | 4.3 | NCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1 | 10.1016/j.bmcl.2007.06.053 | ||
| 90663623 | 113487 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 628 | 15 | 4 | 7 | 3.4 | NCCOCCOCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCc2ccccc2C1 | 10.1016/j.bmcl.2007.06.053 | ||
| CHEMBL3143849 | 113487 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 628 | 15 | 4 | 7 | 3.4 | NCCOCCOCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCc2ccccc2C1 | 10.1016/j.bmcl.2007.06.053 | ||
| CHEMBL117039 | 215340 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | O=C1C[C@@H](C(=O)O)NC(=O)[C@@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm011127h | ||||
| 2132 | 10516 | 58 | None | -97 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 382 | 5 | 2 | 3 | 5.5 | CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 | 10.1021/jm5017413 | ||
| 5311424 | 10516 | 58 | None | -97 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 382 | 5 | 2 | 3 | 5.5 | CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 | 10.1021/jm5017413 | ||
| CHEMBL10188 | 10516 | 58 | None | -97 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 382 | 5 | 2 | 3 | 5.5 | CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 | 10.1021/jm5017413 | ||
| 10875000 | 170651 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 518 | 5 | 6 | 5 | -0.2 | NC(=O)[C@@H]1CNC(=O)CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1 | 10.1021/jm011127h | ||
| CHEMBL420685 | 170651 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 518 | 5 | 6 | 5 | -0.2 | NC(=O)[C@@H]1CNC(=O)CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1 | 10.1021/jm011127h | ||
| 44315210 | 109695 | 0 | None | -1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 747 | 14 | 0 | 8 | 8.0 | CCN(C/C(=N\OC)[C@H](CCN1CCC(n2c(=O)n(CCOC)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(02)00462-6 | ||
| CHEMBL306124 | 109695 | 0 | None | -1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 747 | 14 | 0 | 8 | 8.0 | CCN(C/C(=N\OC)[C@H](CCN1CCC(n2c(=O)n(CCOC)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(02)00462-6 | ||
| 44281723 | 106403 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 596 | 11 | 1 | 5 | 8.0 | CO/N=C(\COCc1ccc(C(C)(C)C)cc1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| CHEMBL284145 | 106403 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 596 | 11 | 1 | 5 | 8.0 | CO/N=C(\COCc1ccc(C(C)(C)C)cc1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| 44281666 | 115982 | 0 | None | -1 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 635 | 10 | 1 | 5 | 7.5 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| CHEMBL32163 | 115982 | 0 | None | -1 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 635 | 10 | 1 | 5 | 7.5 | CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| 44281958 | 116464 | 0 | None | 1 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 646 | 10 | 1 | 6 | 6.4 | CO/N=C(\CN(C)C(=O)c1cncc(Br)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| CHEMBL32273 | 116464 | 0 | None | 1 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 646 | 10 | 1 | 6 | 6.4 | CO/N=C(\CN(C)C(=O)c1cncc(Br)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| 44281787 | 169978 | 0 | None | 14 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 597 | 11 | 1 | 6 | 6.2 | CO/N=C(\CN(C)C(=O)c1ccccc1OC)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| CHEMBL418224 | 169978 | 0 | None | 14 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 597 | 11 | 1 | 6 | 6.2 | CO/N=C(\CN(C)C(=O)c1ccccc1OC)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| 44363908 | 42557 | 0 | None | 4 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 681 | 11 | 0 | 5 | 8.2 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00702-2 | ||
| CHEMBL144116 | 42557 | 0 | None | 4 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 681 | 11 | 0 | 5 | 8.2 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00702-2 | ||
| 44315589 | 211617 | 0 | None | -2 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 804 | 16 | 1 | 9 | 7.2 | CCN(C/C(=N\OC)[C@H](CCN1CCC(n2c(=O)n(CC(=O)NCCOC)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(02)00462-6 | ||
| CHEMBL75478 | 211617 | 0 | None | -2 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 804 | 16 | 1 | 9 | 7.2 | CCN(C/C(=N\OC)[C@H](CCN1CCC(n2c(=O)n(CC(=O)NCCOC)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(02)00462-6 | ||
| 44315589 | 211617 | 0 | None | -2 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 804 | 16 | 1 | 9 | 7.2 | CCN(C/C(=N\OC)[C@H](CCN1CCC(n2c(=O)n(CC(=O)NCCOC)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1021/acs.jmedchem.9b00017 | ||
| CHEMBL75478 | 211617 | 0 | None | -2 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 804 | 16 | 1 | 9 | 7.2 | CCN(C/C(=N\OC)[C@H](CCN1CCC(n2c(=O)n(CC(=O)NCCOC)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1021/acs.jmedchem.9b00017 | ||
| 23625634 | 99356 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 567 | 12 | 4 | 6 | 3.4 | CSc1ccc(NC(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCCN3CCOCC3)CCCC2)cc1 | 10.1021/jm070289w | ||
| CHEMBL243503 | 99356 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 567 | 12 | 4 | 6 | 3.4 | CSc1ccc(NC(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCCN3CCOCC3)CCCC2)cc1 | 10.1021/jm070289w | ||
| 44380414 | 64929 | 0 | None | -3 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 699 | 12 | 2 | 7 | 5.9 | CN(C/C(=N\OCC(=O)NO)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| CHEMBL167994 | 64929 | 0 | None | -3 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 699 | 12 | 2 | 7 | 5.9 | CN(C/C(=N\OCC(=O)NO)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| 9956370 | 180501 | 0 | None | 53 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 470 | 6 | 1 | 4 | 5.5 | CC(C)N1CCN(Cc2c(-c3ccccc3)nc3ccccc3c2C(=O)NC2CCCCC2)CC1 | 10.1021/jm000501v | ||
| CHEMBL45362 | 180501 | 0 | None | 53 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 470 | 6 | 1 | 4 | 5.5 | CC(C)N1CCN(Cc2c(-c3ccccc3)nc3ccccc3c2C(=O)NC2CCCCC2)CC1 | 10.1021/jm000501v | ||
| 44380279 | 64593 | 0 | None | -3 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 761 | 15 | 1 | 7 | 6.3 | CN(C/C(=N\OCCCNS(C)(=O)=O)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| CHEMBL166975 | 64593 | 0 | None | -3 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 761 | 15 | 1 | 7 | 6.3 | CN(C/C(=N\OCCCNS(C)(=O)=O)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| 49863732 | 22103 | 0 | None | -24 | 4 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1266 | 18 | 10 | 12 | 6.1 | CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1021/jm100157m | ||
| CHEMBL1214025 | 22103 | 0 | None | -24 | 4 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1266 | 18 | 10 | 12 | 6.1 | CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1021/jm100157m | ||
| 53325456 | 65260 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 630 | 14 | 3 | 5 | 5.1 | CCCCc1ccc(C(=O)NC2(C(=O)N[C@@H](Cc3ccccc3)C(=O)NCC3CCN(CC4CCOCC4)CC3)CCCC2)cc1 | 10.1016/j.bmcl.2011.01.074 | ||
| CHEMBL1683149 | 65260 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 630 | 14 | 3 | 5 | 5.1 | CCCCc1ccc(C(=O)NC2(C(=O)N[C@@H](Cc3ccccc3)C(=O)NCC3CCN(CC4CCOCC4)CC3)CCCC2)cc1 | 10.1016/j.bmcl.2011.01.074 | ||
| 11800732 | 187375 | 0 | None | -3 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 546 | 8 | 1 | 4 | 7.2 | CC[C@H](NC(=O)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 | 10.1021/jm000501v | ||
| CHEMBL47544 | 187375 | 0 | None | -3 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 546 | 8 | 1 | 4 | 7.2 | CC[C@H](NC(=O)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 | 10.1021/jm000501v | ||
| 23626411 | 99006 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 673 | 12 | 3 | 7 | 3.9 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCC(=O)N2CCC(N3CCOCC3)CC2)CCCC1)c1cc2ccccc2s1 | 10.1021/jm070289w | ||
| CHEMBL242624 | 99006 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 673 | 12 | 3 | 7 | 3.9 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCC(=O)N2CCC(N3CCOCC3)CC2)CCCC1)c1cc2ccccc2s1 | 10.1021/jm070289w | ||
| 10392319 | 202978 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 532 | 12 | 1 | 3 | 7.3 | CCCC(O)(CCC)C1CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/s0960-894x(98)00037-7 | ||
| CHEMBL56143 | 202978 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 532 | 12 | 1 | 3 | 7.3 | CCCC(O)(CCC)C1CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/s0960-894x(98)00037-7 | ||
| 44315591 | 211753 | 0 | None | -1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 746 | 13 | 1 | 8 | 6.9 | CCN(C/C(=N\OC)[C@H](CCN1CCC(n2c(=O)n(CC(N)=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(02)00462-6 | ||
| CHEMBL76529 | 211753 | 0 | None | -1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 746 | 13 | 1 | 8 | 6.9 | CCN(C/C(=N\OC)[C@H](CCN1CCC(n2c(=O)n(CC(N)=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(02)00462-6 | ||
| 44380337 | 64209 | 0 | None | -6 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 735 | 14 | 0 | 8 | 7.1 | CN(C/C(=N\OCCCn1cncn1)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| CHEMBL165465 | 64209 | 0 | None | -6 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 735 | 14 | 0 | 8 | 7.1 | CN(C/C(=N\OCCCn1cncn1)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| 23626254 | 99996 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 594 | 16 | 6 | 7 | 2.9 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCNC(CCO)CCO)CCCC1)c1cc2ccccc2s1 | 10.1021/jm070289w | ||
| CHEMBL244766 | 99996 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 594 | 16 | 6 | 7 | 2.9 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCNC(CCO)CCO)CCCC1)c1cc2ccccc2s1 | 10.1021/jm070289w | ||
| 10280686 | 149855 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 546 | 11 | 3 | 6 | 3.0 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1cc2ccccc2o1 | 10.1021/jm070289w | ||
| CHEMBL389525 | 149855 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 546 | 11 | 3 | 6 | 3.0 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1cc2ccccc2o1 | 10.1021/jm070289w | ||
| 44315573 | 110573 | 0 | None | -1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 707 | 12 | 1 | 7 | 8.3 | CO/N=C(\CN(CCF)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(n2c(O)nc3ccccc32)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00462-6 | ||
| CHEMBL308983 | 110573 | 0 | None | -1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 707 | 12 | 1 | 7 | 8.3 | CO/N=C(\CN(CCF)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(n2c(O)nc3ccccc32)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00462-6 | ||
| 10145229 | 15945 | 0 | None | -2 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 592 | 7 | 1 | 4 | 5.9 | Cc1cc(C)cc(C(=O)N2CCN(C(=O)CNC3CCN(Cc4ccccc4)CC3)C(c3ccc(Cl)c(Cl)c3)C2)c1 | 10.1016/s0960-894x(02)00645-5 | ||
| CHEMBL110219 | 15945 | 0 | None | -2 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 592 | 7 | 1 | 4 | 5.9 | Cc1cc(C)cc(C(=O)N2CCN(C(=O)CNC3CCN(Cc4ccccc4)CC3)C(c3ccc(Cl)c(Cl)c3)C2)c1 | 10.1016/s0960-894x(02)00645-5 | ||
| 44281726 | 116305 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 540 | 11 | 1 | 5 | 6.7 | CO/N=C(\COCc1ccccc1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| CHEMBL32215 | 116305 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 540 | 11 | 1 | 5 | 6.7 | CO/N=C(\COCc1ccccc1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| 22405761 | 205068 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 504 | 10 | 0 | 4 | 5.9 | CC(=O)OCCC1CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/s0960-894x(98)00037-7 | ||
| CHEMBL57589 | 205068 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 504 | 10 | 0 | 4 | 5.9 | CC(=O)OCCC1CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/s0960-894x(98)00037-7 | ||
| 2110 | 9743 | 38 | None | -138 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 605 | 8 | 0 | 3 | 7.4 | O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 | 10.1021/jm9602423 | ||
| 219077 | 9743 | 38 | None | -138 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 605 | 8 | 0 | 3 | 7.4 | O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 | 10.1021/jm9602423 | ||
| 3480 | 9743 | 38 | None | -138 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 605 | 8 | 0 | 3 | 7.4 | O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 | 10.1021/jm9602423 | ||
| CHEMBL346178 | 9743 | 38 | None | -138 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 605 | 8 | 0 | 3 | 7.4 | O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 | 10.1021/jm9602423 | ||
| DB04872 | 9743 | 38 | None | -138 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 605 | 8 | 0 | 3 | 7.4 | O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 | 10.1021/jm9602423 | ||
| 44312828 | 111137 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 640 | 12 | 0 | 8 | 6.1 | CC1=C(C(=O)Oc2ccccc2)[S+]([O-])C2C(O1)OC(COCc1ccccc1)C(OCc1ccccc1)C2OCc1ccccc1 | 10.1016/s0960-894x(02)00471-7 | ||
| CHEMBL310084 | 111137 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 640 | 12 | 0 | 8 | 6.1 | CC1=C(C(=O)Oc2ccccc2)[S+]([O-])C2C(O1)OC(COCc1ccccc1)C(OCc1ccccc1)C2OCc1ccccc1 | 10.1016/s0960-894x(02)00471-7 | ||
| 44312485 | 211418 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 486 | 9 | 1 | 8 | 3.8 | CCOC(=O)C1=C(C)OC2OC(CO)C(OCc3ccccc3)C(OCc3ccccc3)C2S1 | 10.1016/s0960-894x(02)00471-7 | ||
| CHEMBL73540 | 211418 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 486 | 9 | 1 | 8 | 3.8 | CCOC(=O)C1=C(C)OC2OC(CO)C(OCc3ccccc3)C(OCc3ccccc3)C2S1 | 10.1016/s0960-894x(02)00471-7 | ||
| 44312718 | 211564 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 502 | 9 | 1 | 8 | 2.8 | CCOC(=O)C1=C(C)OC2OC(CO)C(OCc3ccccc3)C(OCc3ccccc3)C2[S+]1[O-] | 10.1016/s0960-894x(02)00471-7 | ||
| CHEMBL74882 | 211564 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 502 | 9 | 1 | 8 | 2.8 | CCOC(=O)C1=C(C)OC2OC(CO)C(OCc3ccccc3)C(OCc3ccccc3)C2[S+]1[O-] | 10.1016/s0960-894x(02)00471-7 | ||
| 44314577 | 166659 | 0 | None | -16 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 782 | 14 | 0 | 8 | 7.1 | CCOC(=O)C1CCN(C(=O)CN2CCN(CCC(/C(COCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)=N/OC)c3ccc(Cl)c(Cl)c3)CC2)CC1 | 10.1016/s0960-894x(00)00464-9 | ||
| CHEMBL41068 | 166659 | 0 | None | -16 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 782 | 14 | 0 | 8 | 7.1 | CCOC(=O)C1CCN(C(=O)CN2CCN(CCC(/C(COCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)=N/OC)c3ccc(Cl)c(Cl)c3)CC2)CC1 | 10.1016/s0960-894x(00)00464-9 | ||
| CHEMBL4521971 | 220757 | 45 | None | -338 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | None | None | None | Clc1cc2c(NC3CCCC3)nnc(-c3ccncc3)c2cc1Cl | 10.6019/CHEMBL5212743 | ||||
| 2750 | 210840 | 76 | None | -2 | 12 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 333 | 5 | 1 | 4 | 3.9 | CC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1 | nan | ||
| CHEMBL7002 | 210840 | 76 | None | -2 | 12 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 333 | 5 | 1 | 4 | 3.9 | CC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1 | nan | ||
| 44380596 | 66126 | 0 | None | 1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 706 | 13 | 1 | 6 | 8.7 | COCO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| CHEMBL170727 | 66126 | 0 | None | 1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 706 | 13 | 1 | 6 | 8.7 | COCO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| 44281505 | 123668 | 0 | None | 2 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 576 | 11 | 1 | 5 | 6.9 | CO/N=C(\COCc1cc(F)cc(F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| CHEMBL33833 | 123668 | 0 | None | 2 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 576 | 11 | 1 | 5 | 6.9 | CO/N=C(\COCc1cc(F)cc(F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| 2090 | 9543 | 25 | None | -38 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | ||||
| 5311312 | 9543 | 25 | None | -38 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | ||||
| CHEMBL437797 | 9543 | 25 | None | -38 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | ||||
| 9940831 | 21418 | 0 | None | -912 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 810 | 13 | 4 | 9 | 5.7 | O=C(OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1C[C@H](O)CN1C(=O)c1cn(CCCCc2nnn[nH]2)c2ccccc12 | 10.1016/S0960-894X(96)00604-X | ||
| CHEMBL1205204 | 21418 | 0 | None | -912 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 810 | 13 | 4 | 9 | 5.7 | O=C(OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1C[C@H](O)CN1C(=O)c1cn(CCCCc2nnn[nH]2)c2ccccc12 | 10.1016/S0960-894X(96)00604-X | ||
| CHEMBL65468 | 21418 | 0 | None | -912 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 810 | 13 | 4 | 9 | 5.7 | O=C(OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1C[C@H](O)CN1C(=O)c1cn(CCCCc2nnn[nH]2)c2ccccc12 | 10.1016/S0960-894X(96)00604-X | ||
| 44281334 | 126172 | 0 | None | 2 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 541 | 11 | 1 | 6 | 6.1 | CO/N=C(\COCc1ccccn1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| CHEMBL34460 | 126172 | 0 | None | 2 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 541 | 11 | 1 | 6 | 6.1 | CO/N=C(\COCc1ccccn1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| 44329530 | 119182 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 428 | 4 | 2 | 7 | 4.2 | CC(C)c1nc2[nH]c(N3CCC4(CC3)OCCO4)nc(Nc3ccc(Cl)cc3)c-2n1 | 10.1016/0960-894X(95)00502-K | ||
| CHEMBL329749 | 119182 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 428 | 4 | 2 | 7 | 4.2 | CC(C)c1nc2[nH]c(N3CCC4(CC3)OCCO4)nc(Nc3ccc(Cl)cc3)c-2n1 | 10.1016/0960-894X(95)00502-K | ||
| CHEMBL103634 | 215237 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | CC(C)CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(C)C)C(N)=O | 10.1021/jm9807151 | ||||
| 52918299 | 65265 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 640 | 13 | 2 | 6 | 5.4 | COc1c(C(=O)NC2(C(=O)N[C@H](CCCN3CCN(CC4CCOCC4)CC3)Cc3ccccc3)CCCC2)ccc2ccccc12 | 10.1016/j.bmcl.2011.01.074 | ||
| CHEMBL1683154 | 65265 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 640 | 13 | 2 | 6 | 5.4 | COc1c(C(=O)NC2(C(=O)N[C@H](CCCN3CCN(CC4CCOCC4)CC3)Cc3ccccc3)CCCC2)ccc2ccccc12 | 10.1016/j.bmcl.2011.01.074 | ||
| 44380093 | 127514 | 0 | None | -1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 733 | 13 | 2 | 6 | 7.8 | CNC(=O)CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| CHEMBL354892 | 127514 | 0 | None | -1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 733 | 13 | 2 | 6 | 7.8 | CNC(=O)CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| 11734825 | 19999 | 0 | None | -549 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 623 | 7 | 2 | 3 | 6.1 | CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](/C=C/C(=O)N[C@@H]1CCCCNC1=O)Cc1ccc(Cl)c(Cl)c1 | 10.1021/jm030786m | ||
| CHEMBL119126 | 19999 | 0 | None | -549 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 623 | 7 | 2 | 3 | 6.1 | CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](/C=C/C(=O)N[C@@H]1CCCCNC1=O)Cc1ccc(Cl)c(Cl)c1 | 10.1021/jm030786m | ||
| 44363978 | 47264 | 0 | None | -1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 697 | 12 | 1 | 6 | 7.9 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(CN2CCCC(O)C2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00702-2 | ||
| CHEMBL148282 | 47264 | 0 | None | -1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 697 | 12 | 1 | 6 | 7.9 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(CN2CCCC(O)C2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00702-2 | ||
| 22405743 | 107473 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 462 | 9 | 1 | 3 | 5.3 | CN(CC(CCN1CCC(CCO)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 | 10.1016/s0960-894x(98)00037-7 | ||
| CHEMBL292415 | 107473 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 462 | 9 | 1 | 3 | 5.3 | CN(CC(CCN1CCC(CCO)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 | 10.1016/s0960-894x(98)00037-7 | ||
| 44314732 | 211873 | 0 | None | -3 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 764 | 12 | 0 | 6 | 8.5 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N2CCCC3CCCCC32)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00464-9 | ||
| CHEMBL77592 | 211873 | 0 | None | -3 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 764 | 12 | 0 | 6 | 8.5 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N2CCCC3CCCCC32)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00464-9 | ||
| 44380413 | 103371 | 0 | None | -21 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 741 | 15 | 1 | 7 | 6.2 | COCCNC(=O)CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| CHEMBL263214 | 103371 | 0 | None | -21 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 741 | 15 | 1 | 7 | 6.2 | COCCNC(=O)CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| 44314487 | 109690 | 0 | None | -5 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 753 | 13 | 1 | 7 | 6.1 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N2CCC(NC(C)=O)C2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00464-9 | ||
| CHEMBL306097 | 109690 | 0 | None | -5 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 753 | 13 | 1 | 7 | 6.1 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N2CCC(NC(C)=O)C2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00464-9 | ||
| 6518171 | 175075 | 55 | None | -4 | 8 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 495 | 12 | 2 | 6 | 4.9 | CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1)c1ccccn1 | nan | ||
| CHEMBL434063 | 175075 | 55 | None | -4 | 8 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 495 | 12 | 2 | 6 | 4.9 | CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1)c1ccccn1 | nan | ||
| 86274731 | 167452 | 0 | None | -1584 | 2 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 412 | 2 | 0 | 7 | 2.9 | Cc1nsc(-c2nnc3n2CCN(C(=O)c2cc(F)c(F)c(F)c2F)[C@@H]3C)n1 | nan | ||
| CHEMBL4113428 | 167452 | 0 | None | -1584 | 2 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 412 | 2 | 0 | 7 | 2.9 | Cc1nsc(-c2nnc3n2CCN(C(=O)c2cc(F)c(F)c(F)c2F)[C@@H]3C)n1 | nan | ||
| 3561 | 25849 | 39 | None | -1 | 11 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 360 | 2 | 0 | 1 | 4.4 | Clc1cc(Cl)c(OCC#CI)cc1Cl | nan | ||
| CHEMBL1289 | 25849 | 39 | None | -1 | 11 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 360 | 2 | 0 | 1 | 4.4 | Clc1cc(Cl)c(OCC#CI)cc1Cl | nan | ||
| 71461646 | 85684 | 0 | None | -2 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 676 | 11 | 0 | 5 | 7.6 | CN(C/C(=N\OC(F)F)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| CHEMBL2112941 | 85684 | 0 | None | -2 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 676 | 11 | 0 | 5 | 7.6 | CN(C/C(=N\OC(F)F)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| CHEMBL2390989 | 217190 | 16 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(N)=O | 10.1016/j.ejmech.2013.01.044 | ||||
| 10390024 | 24726 | 0 | None | - | 1 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 471 | 5 | 1 | 5 | 3.8 | Cc1ccc(S(=O)(=O)N2CC3(CCN(CCc4c[nH]c5ccc(F)cc45)CC3)OC2=O)cc1 | 10.1021/jm00019a006 | ||
| CHEMBL126043 | 24726 | 0 | None | - | 1 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 471 | 5 | 1 | 5 | 3.8 | Cc1ccc(S(=O)(=O)N2CC3(CCN(CCc4c[nH]c5ccc(F)cc45)CC3)OC2=O)cc1 | 10.1021/jm00019a006 | ||
| 44577886 | 178704 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 632 | 14 | 3 | 6 | 4.5 | CCCOc1cccc(C(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCC3CCN(CC4CCOCC4)CC3)CCCC2)c1 | 10.1016/j.bmcl.2008.06.102 | ||
| CHEMBL447011 | 178704 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 632 | 14 | 3 | 6 | 4.5 | CCCOc1cccc(C(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCC3CCN(CC4CCOCC4)CC3)CCCC2)c1 | 10.1016/j.bmcl.2008.06.102 | ||
| 44577895 | 195652 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 630 | 14 | 3 | 5 | 5.1 | CCCCc1ccc(C(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCC3CCN(CC4CCOCC4)CC3)CCCC2)cc1 | 10.1016/j.bmcl.2008.06.102 | ||
| CHEMBL507077 | 195652 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 630 | 14 | 3 | 5 | 5.1 | CCCCc1ccc(C(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCC3CCN(CC4CCOCC4)CC3)CCCC2)cc1 | 10.1016/j.bmcl.2008.06.102 | ||
| 44374543 | 59669 | 0 | None | -1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 773 | 9 | 5 | 6 | 3.7 | O=C1C[C@H](CC(=O)N2CCC(N3CCCCC3)CC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1016/s0960-894x(01)00841-1 | ||
| CHEMBL159585 | 59669 | 0 | None | -1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 773 | 9 | 5 | 6 | 3.7 | O=C1C[C@H](CC(=O)N2CCC(N3CCCCC3)CC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1016/s0960-894x(01)00841-1 | ||
| 11251301 | 149744 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 663 | 7 | 6 | 6 | 2.0 | NC1CCN([C@@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)CC1 | 10.1021/jm040832y | ||
| CHEMBL389432 | 149744 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 663 | 7 | 6 | 6 | 2.0 | NC1CCN([C@@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)CC1 | 10.1021/jm040832y | ||
| 44343033 | 16582 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 685 | 9 | 4 | 5 | 5.4 | O=C(N[C@H]1CCCCN(Cc2ccccc2)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)OCc1ccccc1 | 10.1021/jm011127h | ||
| CHEMBL113765 | 16582 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 685 | 9 | 4 | 5 | 5.4 | O=C(N[C@H]1CCCCN(Cc2ccccc2)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)OCc1ccccc1 | 10.1021/jm011127h | ||
| 44315422 | 109916 | 0 | None | -2 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 747 | 13 | 1 | 8 | 7.5 | CCN(C/C(=N\OC)[C@H](CCN1CCC(n2c(=O)n(CC(=O)O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(02)00462-6 | ||
| CHEMBL307877 | 109916 | 0 | None | -2 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 747 | 13 | 1 | 8 | 7.5 | CCN(C/C(=N\OC)[C@H](CCN1CCC(n2c(=O)n(CC(=O)O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(02)00462-6 | ||
| 9940831 | 21418 | 0 | None | -1 | 4 | Rabbit | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 810 | 13 | 4 | 9 | 5.7 | O=C(OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1C[C@H](O)CN1C(=O)c1cn(CCCCc2nnn[nH]2)c2ccccc12 | 10.1016/S0960-894X(96)00604-X | ||
| CHEMBL1205204 | 21418 | 0 | None | -1 | 4 | Rabbit | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 810 | 13 | 4 | 9 | 5.7 | O=C(OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1C[C@H](O)CN1C(=O)c1cn(CCCCc2nnn[nH]2)c2ccccc12 | 10.1016/S0960-894X(96)00604-X | ||
| CHEMBL65468 | 21418 | 0 | None | -1 | 4 | Rabbit | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 810 | 13 | 4 | 9 | 5.7 | O=C(OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1C[C@H](O)CN1C(=O)c1cn(CCCCc2nnn[nH]2)c2ccccc12 | 10.1016/S0960-894X(96)00604-X | ||
| 44380248 | 64937 | 0 | None | -1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 720 | 13 | 0 | 7 | 7.3 | CN(C/C(=N\OCCn1ccnc1)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| CHEMBL168144 | 64937 | 0 | None | -1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 720 | 13 | 0 | 7 | 7.3 | CN(C/C(=N\OCCn1ccnc1)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| 10303126 | 159963 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 560 | 11 | 3 | 6 | 3.3 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CC=CC1)c1cc2ccccc2s1 | 10.1021/jm070289w | ||
| CHEMBL397702 | 159963 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 560 | 11 | 3 | 6 | 3.3 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CC=CC1)c1cc2ccccc2s1 | 10.1021/jm070289w | ||
| 44305818 | 21567 | 0 | None | -1 | 4 | Rabbit | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 698 | 13 | 3 | 8 | 4.3 | CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H]1C[C@H](O)CN1C(=O)c1cn(CCCCc2nnn[nH]2)c2ccccc12 | 10.1016/S0960-894X(96)00604-X | ||
| CHEMBL1206764 | 21567 | 0 | None | -1 | 4 | Rabbit | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 698 | 13 | 3 | 8 | 4.3 | CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H]1C[C@H](O)CN1C(=O)c1cn(CCCCc2nnn[nH]2)c2ccccc12 | 10.1016/S0960-894X(96)00604-X | ||
| CHEMBL305119 | 21567 | 0 | None | -1 | 4 | Rabbit | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 698 | 13 | 3 | 8 | 4.3 | CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H]1C[C@H](O)CN1C(=O)c1cn(CCCCc2nnn[nH]2)c2ccccc12 | 10.1016/S0960-894X(96)00604-X | ||
| 10696939 | 188377 | 0 | None | -3 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 506 | 8 | 1 | 4 | 6.3 | CC[C@H](NC(=O)c1c(CN2CCN(C(C)C)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 | 10.1021/jm000501v | ||
| CHEMBL47713 | 188377 | 0 | None | -3 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 506 | 8 | 1 | 4 | 6.3 | CC[C@H](NC(=O)c1c(CN2CCN(C(C)C)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 | 10.1021/jm000501v | ||
| 118724122 | 123189 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 1296 | 40 | 16 | 22 | -3.0 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)Nc1ccc([N+](=O)[O-])c2nonc12)[C@@H](C)O)C(C)C)C(N)=O | 10.1021/jm401823z | ||
| CHEMBL3360201 | 123189 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 1296 | 40 | 16 | 22 | -3.0 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)Nc1ccc([N+](=O)[O-])c2nonc12)[C@@H](C)O)C(C)C)C(N)=O | 10.1021/jm401823z | ||
| 44380081 | 64882 | 0 | None | -100 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 738 | 13 | 1 | 7 | 6.3 | CN(C/C(=N\OCCN1CCNCC1)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| CHEMBL167546 | 64882 | 0 | None | -100 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 738 | 13 | 1 | 7 | 6.3 | CN(C/C(=N\OCCN1CCNCC1)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| 44380733 | 65390 | 0 | None | -7 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 720 | 14 | 1 | 6 | 8.7 | COCCO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| CHEMBL168437 | 65390 | 0 | None | -7 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 720 | 14 | 1 | 6 | 8.7 | COCCO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| 44390607 | 70678 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 558 | 11 | 3 | 5 | 5.3 | CC(C)(C)c1ccc(Oc2ccc(NC(=O)N[C@@H](Cc3ccccc3)C(=O)NCCCN3CCOCC3)cc2)cc1 | 10.1016/j.bmcl.2004.11.045 | ||
| CHEMBL180539 | 70678 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 558 | 11 | 3 | 5 | 5.3 | CC(C)(C)c1ccc(Oc2ccc(NC(=O)N[C@@H](Cc3ccccc3)C(=O)NCCCN3CCOCC3)cc2)cc1 | 10.1016/j.bmcl.2004.11.045 | ||
| 44384147 | 137471 | 0 | None | - | 1 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 524 | 9 | 1 | 3 | 6.3 | CN(CC(CCN1CCC(CO)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 | 10.1016/S0960-894X(00)80694-0 | ||
| CHEMBL368372 | 137471 | 0 | None | - | 1 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 524 | 9 | 1 | 3 | 6.3 | CN(CC(CCN1CCC(CO)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 | 10.1016/S0960-894X(00)80694-0 | ||
| 44434188 | 96381 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 574 | 11 | 3 | 5 | 5.1 | CN1CCCC1CCCNC(=O)C(Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1 | 10.1016/j.bmcl.2007.06.053 | ||
| CHEMBL237517 | 96381 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 574 | 11 | 3 | 5 | 5.1 | CN1CCCC1CCCNC(=O)C(Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1 | 10.1016/j.bmcl.2007.06.053 | ||
| 44434161 | 97036 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 562 | 11 | 4 | 5 | 4.1 | CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1)C(N)=O | 10.1016/j.bmcl.2007.06.053 | ||
| CHEMBL238392 | 97036 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 562 | 11 | 4 | 5 | 4.1 | CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1)C(N)=O | 10.1016/j.bmcl.2007.06.053 | ||
| 44434170 | 161208 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 566 | 15 | 4 | 7 | 2.8 | NCCOCCOCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCC1 | 10.1016/j.bmcl.2007.06.053 | ||
| CHEMBL398982 | 161208 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 566 | 15 | 4 | 7 | 2.8 | NCCOCCOCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCC1 | 10.1016/j.bmcl.2007.06.053 | ||
| 44390506 | 70278 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 552 | 12 | 3 | 5 | 4.1 | O=C(Nc1ccc(OCc2cc(F)cc(F)c2)cc1)N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 | 10.1016/j.bmcl.2004.11.045 | ||
| CHEMBL179986 | 70278 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 552 | 12 | 3 | 5 | 4.1 | O=C(Nc1ccc(OCc2cc(F)cc(F)c2)cc1)N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 | 10.1016/j.bmcl.2004.11.045 | ||
| 44391084 | 71101 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 502 | 11 | 3 | 5 | 4.1 | O=C(Nc1ccc(Oc2ccccc2)cc1)N[C@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 | 10.1016/j.bmcl.2004.11.045 | ||
| CHEMBL181153 | 71101 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 502 | 11 | 3 | 5 | 4.1 | O=C(Nc1ccc(Oc2ccccc2)cc1)N[C@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 | 10.1016/j.bmcl.2004.11.045 | ||
| 44391034 | 71347 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 529 | 12 | 2 | 5 | 4.1 | CC(C)(Oc1ccccc1-c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 | 10.1016/j.bmcl.2004.11.045 | ||
| CHEMBL181581 | 71347 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 529 | 12 | 2 | 5 | 4.1 | CC(C)(Oc1ccccc1-c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 | 10.1016/j.bmcl.2004.11.045 | ||
| 44390534 | 71626 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 584 | 12 | 3 | 5 | 4.9 | O=C(Nc1ccc(OCc2ccc(C(F)(F)F)cc2)cc1)N[C@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 | 10.1016/j.bmcl.2004.11.045 | ||
| CHEMBL182082 | 71626 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 584 | 12 | 3 | 5 | 4.9 | O=C(Nc1ccc(OCc2ccc(C(F)(F)F)cc2)cc1)N[C@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 | 10.1016/j.bmcl.2004.11.045 | ||
| 44391022 | 128802 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 502 | 11 | 3 | 5 | 4.1 | O=C(Nc1ccccc1Oc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 | 10.1016/j.bmcl.2004.11.045 | ||
| CHEMBL359487 | 128802 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 502 | 11 | 3 | 5 | 4.1 | O=C(Nc1ccccc1Oc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 | 10.1016/j.bmcl.2004.11.045 | ||
| 44331207 | 174754 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 579 | 12 | 3 | 6 | 3.8 | O=C(NCCc1c[nH]c2ccccc12)c1nccnc1C(=O)N(CCCN1CCOCC1)CCc1c[nH]c2ccccc12 | 10.1016/s0960-894x(02)00539-5 | ||
| CHEMBL431838 | 174754 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 579 | 12 | 3 | 6 | 3.8 | O=C(NCCc1c[nH]c2ccccc12)c1nccnc1C(=O)N(CCCN1CCOCC1)CCc1c[nH]c2ccccc12 | 10.1016/s0960-894x(02)00539-5 | ||
| 44312406 | 164122 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 702 | 13 | 0 | 8 | 7.2 | O=C(C1=C(c2ccccc2)OC2OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2S1(=O)=O)c1ccccc1 | 10.1016/s0960-894x(02)00471-7 | ||
| CHEMBL407769 | 164122 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 702 | 13 | 0 | 8 | 7.2 | O=C(C1=C(c2ccccc2)OC2OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2S1(=O)=O)c1ccccc1 | 10.1016/s0960-894x(02)00471-7 | ||
| 10717843 | 107881 | 0 | None | -15 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 437 | 7 | 1 | 3 | 6.1 | CC(C)[C@H](NC(=O)c1c(CN(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 | 10.1021/jm000501v | ||
| CHEMBL295059 | 107881 | 0 | None | -15 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 437 | 7 | 1 | 3 | 6.1 | CC(C)[C@H](NC(=O)c1c(CN(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 | 10.1021/jm000501v | ||
| 25222441 | 203920 | 0 | None | -104 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 589 | 8 | 0 | 3 | 6.4 | CC(=O)N(C)C1CCN(CCC(C)(C(=O)N(C)Cc2ccc(F)c(C(F)(F)F)c2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm900948q | ||
| CHEMBL567849 | 203920 | 0 | None | -104 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 589 | 8 | 0 | 3 | 6.4 | CC(=O)N(C)C1CCN(CCC(C)(C(=O)N(C)Cc2ccc(F)c(C(F)(F)F)c2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm900948q | ||
| 44314872 | 103647 | 0 | None | -1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 740 | 13 | 1 | 7 | 6.7 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N2CCCCC2CO)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00464-9 | ||
| CHEMBL265499 | 103647 | 0 | None | -1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 740 | 13 | 1 | 7 | 6.7 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N2CCCCC2CO)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00464-9 | ||
| 44329351 | 214897 | 0 | None | 13 | 2 | Golden hamster | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 358 | 4 | 2 | 6 | 3.1 | CCc1nc2[nH]c(N3CCOCC3)nc(Nc3ccc(Cl)cc3)c-2n1 | 10.1016/0960-894X(95)00502-K | ||
| CHEMBL97958 | 214897 | 0 | None | 13 | 2 | Golden hamster | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 358 | 4 | 2 | 6 | 3.1 | CCc1nc2[nH]c(N3CCOCC3)nc(Nc3ccc(Cl)cc3)c-2n1 | 10.1016/0960-894X(95)00502-K | ||
| 148124 | 213878 | 86 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 807 | 8 | 5 | 14 | 3.3 | CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C | nan | ||
| CHEMBL3545252 | 213878 | 86 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 807 | 8 | 5 | 14 | 3.3 | CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C | nan | ||
| CHEMBL92 | 213878 | 86 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 807 | 8 | 5 | 14 | 3.3 | CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C | nan | ||
| 44363979 | 127761 | 0 | None | -2 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 711 | 13 | 1 | 6 | 8.3 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(CN2CCCCC2CO)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00702-2 | ||
| CHEMBL356268 | 127761 | 0 | None | -2 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 711 | 13 | 1 | 6 | 8.3 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(CN2CCCCC2CO)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00702-2 | ||
| 138106918 | 202265 | 42 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 778 | 7 | 2 | 11 | 4.8 | CCC1=C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2 | nan | ||
| 5311497 | 202265 | 42 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 778 | 7 | 2 | 11 | 4.8 | CCC1=C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2 | nan | ||
| CHEMBL553025 | 202265 | 42 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 778 | 7 | 2 | 11 | 4.8 | CCC1=C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2 | nan | ||
| 6918276 | 22383 | 7 | None | -56 | 8 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 559 | 18 | 4 | 9 | 1.7 | CC[C@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)OC(C)C)NC[C@@H](N)CS | nan | ||
| CHEMBL1221512 | 22383 | 7 | None | -56 | 8 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 559 | 18 | 4 | 9 | 1.7 | CC[C@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)OC(C)C)NC[C@@H](N)CS | nan | ||
| 44281788 | 106762 | 0 | None | -1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 583 | 11 | 2 | 6 | 5.9 | CO/N=C(\CNC(=O)c1ccccc1OC)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| CHEMBL286640 | 106762 | 0 | None | -1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 583 | 11 | 2 | 6 | 5.9 | CO/N=C(\CNC(=O)c1ccccc1OC)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| 10044833 | 114224 | 0 | None | 43 | 2 | Golden hamster | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 372 | 5 | 2 | 6 | 3.5 | CCCc1nc2[nH]c(N3CCOCC3)nc(Nc3ccc(Cl)cc3)c-2n1 | 10.1016/0960-894X(95)00502-K | ||
| CHEMBL318254 | 114224 | 0 | None | 43 | 2 | Golden hamster | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 372 | 5 | 2 | 6 | 3.5 | CCCc1nc2[nH]c(N3CCOCC3)nc(Nc3ccc(Cl)cc3)c-2n1 | 10.1016/0960-894X(95)00502-K | ||
| 44329517 | 215056 | 0 | None | -36 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 387 | 4 | 1 | 6 | 3.1 | CC(C)N1Cc2c(Nc3ccc(Cl)cc3)nc(N3CCOCC3)nc2C1=O | 10.1016/0960-894X(95)00502-K | ||
| CHEMBL98929 | 215056 | 0 | None | -36 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 387 | 4 | 1 | 6 | 3.1 | CC(C)N1Cc2c(Nc3ccc(Cl)cc3)nc(N3CCOCC3)nc2C1=O | 10.1016/0960-894X(95)00502-K | ||
| 44329149 | 114333 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 392 | 6 | 3 | 5 | 5.4 | CC(C)c1nc2[nH]c(NCc3ccccc3)nc(Nc3ccc(Cl)cc3)c-2n1 | 10.1016/0960-894X(95)00502-K | ||
| CHEMBL318880 | 114333 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 392 | 6 | 3 | 5 | 5.4 | CC(C)c1nc2[nH]c(NCc3ccccc3)nc(Nc3ccc(Cl)cc3)c-2n1 | 10.1016/0960-894X(95)00502-K | ||
| 11057 | 182928 | 23 | None | -1 | 20 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
| 3468 | 182928 | 23 | None | -1 | 20 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
| CHEMBL459265 | 182928 | 23 | None | -1 | 20 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
| CHEMBL64894 | 182928 | 23 | None | -1 | 20 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
| 44314454 | 112394 | 0 | None | -4 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 758 | 12 | 0 | 6 | 7.9 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N2CCc3ccccc3C2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00464-9 | ||
| CHEMBL312295 | 112394 | 0 | None | -4 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 758 | 12 | 0 | 6 | 7.9 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N2CCc3ccccc3C2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00464-9 | ||
| 3823 | 56995 | 42 | None | -36 | 11 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
| 76973198 | 56995 | 42 | None | -36 | 11 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
| CHEMBL157101 | 56995 | 42 | None | -36 | 11 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
| 44380094 | 65518 | 0 | None | -3 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 719 | 13 | 2 | 6 | 7.6 | NC(=O)CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| CHEMBL168584 | 65518 | 0 | None | -3 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 719 | 13 | 2 | 6 | 7.6 | NC(=O)CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| 44363984 | 42442 | 0 | None | -4 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 735 | 14 | 0 | 5 | 9.3 | C=CCC1CCCN(CC2CCN(CCC(/C(COCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)=N/OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O | 10.1016/s0960-894x(00)00702-2 | ||
| CHEMBL144011 | 42442 | 0 | None | -4 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 735 | 14 | 0 | 5 | 9.3 | C=CCC1CCCN(CC2CCN(CCC(/C(COCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)=N/OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O | 10.1016/s0960-894x(00)00702-2 | ||
| 15730 | 77893 | 80 | None | -2 | 10 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 206 | 7 | 1 | 1 | 4.3 | CCCCCCCCc1ccc(O)cc1 | nan | ||
| CHEMBL195437 | 77893 | 80 | None | -2 | 10 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 206 | 7 | 1 | 1 | 4.3 | CCCCCCCCc1ccc(O)cc1 | nan | ||
| 44329367 | 215027 | 0 | None | - | 1 | Golden hamster | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 425 | 5 | 2 | 6 | 4.0 | CC(C)NC(=O)c1ccc2c(Nc3ccc(Cl)cc3)nc(N3CCOCC3)nc2c1 | 10.1016/0960-894X(95)00502-K | ||
| CHEMBL98760 | 215027 | 0 | None | - | 1 | Golden hamster | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 425 | 5 | 2 | 6 | 4.0 | CC(C)NC(=O)c1ccc2c(Nc3ccc(Cl)cc3)nc(N3CCOCC3)nc2c1 | 10.1016/0960-894X(95)00502-K | ||
| 44329531 | 214866 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 384 | 4 | 2 | 6 | 4.0 | CC(C)c1nc2[nH]c(N3CCC(=O)CC3)nc(Nc3ccc(Cl)cc3)c-2n1 | 10.1016/0960-894X(95)00502-K | ||
| CHEMBL97764 | 214866 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 384 | 4 | 2 | 6 | 4.0 | CC(C)c1nc2[nH]c(N3CCC(=O)CC3)nc(Nc3ccc(Cl)cc3)c-2n1 | 10.1016/0960-894X(95)00502-K | ||
| 44364003 | 125773 | 0 | None | -9 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 681 | 11 | 0 | 5 | 8.1 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(C(=O)N2CCCC2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00702-2 | ||
| CHEMBL342572 | 125773 | 0 | None | -9 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 681 | 11 | 0 | 5 | 8.1 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(C(=O)N2CCCC2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00702-2 | ||
| 44380080 | 19014 | 0 | None | -323 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 726 | 14 | 0 | 5 | 7.5 | CN(C/C(=N\OCCC[N+](C)(C)C)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| CHEMBL1184507 | 19014 | 0 | None | -323 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 726 | 14 | 0 | 5 | 7.5 | CN(C/C(=N\OCCC[N+](C)(C)C)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| CHEMBL352842 | 19014 | 0 | None | -323 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 726 | 14 | 0 | 5 | 7.5 | CN(C/C(=N\OCCC[N+](C)(C)C)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| 71549913 | 125634 | 0 | None | -588 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 415 | 3 | 0 | 6 | 4.6 | Cc1cccc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 | nan | ||
| CHEMBL3422007 | 125634 | 0 | None | -588 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 415 | 3 | 0 | 6 | 4.6 | Cc1cccc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 | nan | ||
| 44281633 | 106763 | 0 | None | -3 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 664 | 11 | 1 | 7 | 7.7 | CO/N=C(\CN(C)C(=O)c1cc(C)nc(-c2cccs2)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| CHEMBL286646 | 106763 | 0 | None | -3 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 664 | 11 | 1 | 7 | 7.7 | CO/N=C(\CN(C)C(=O)c1cc(C)nc(-c2cccs2)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| 44281778 | 116473 | 0 | None | 4 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 608 | 11 | 1 | 5 | 8.0 | CO/N=C(\COCc1cc(Cl)cc(Cl)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| CHEMBL32279 | 116473 | 0 | None | 4 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 608 | 11 | 1 | 5 | 8.0 | CO/N=C(\COCc1cc(Cl)cc(Cl)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| 44281672 | 120301 | 0 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 596 | 10 | 1 | 6 | 6.2 | CO/N=C(\CN(C)C(=O)c1cc(C)nc(C)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| CHEMBL33215 | 120301 | 0 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 596 | 10 | 1 | 6 | 6.2 | CO/N=C(\CN(C)C(=O)c1cc(C)nc(C)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| 10718673 | 185886 | 0 | None | -1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 457 | 6 | 1 | 4 | 5.4 | C[C@H](NC(=O)c1c(CN2CCOCC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1 | 10.1021/jm000501v | ||
| CHEMBL47179 | 185886 | 0 | None | -1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 457 | 6 | 1 | 4 | 5.4 | C[C@H](NC(=O)c1c(CN2CCOCC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1 | 10.1021/jm000501v | ||
| 10321179 | 22338 | 0 | None | - | 1 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 443 | 5 | 1 | 3 | 4.6 | O=C1OC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1Cc1ccc(F)cc1F | 10.1021/jm00019a006 | ||
| CHEMBL122019 | 22338 | 0 | None | - | 1 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 443 | 5 | 1 | 3 | 4.6 | O=C1OC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1Cc1ccc(F)cc1F | 10.1021/jm00019a006 | ||
| 10091869 | 119607 | 0 | None | - | 1 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 391 | 5 | 1 | 2 | 4.8 | Fc1ccc2[nH]cc(CCN3CCC4(CC3)CCN(Cc3ccccc3)C4)c2c1 | 10.1021/jm00019a006 | ||
| CHEMBL330766 | 119607 | 0 | None | - | 1 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 391 | 5 | 1 | 2 | 4.8 | Fc1ccc2[nH]cc(CCN3CCC4(CC3)CCN(Cc3ccccc3)C4)c2c1 | 10.1021/jm00019a006 | ||
| 44434196 | 156003 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 594 | 11 | 3 | 5 | 4.8 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCCC2)CCc2ccccc21)c1cc2ccccc2s1 | 10.1016/j.bmcl.2007.06.053 | ||
| CHEMBL394418 | 156003 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 594 | 11 | 3 | 5 | 4.8 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCCC2)CCc2ccccc21)c1cc2ccccc2s1 | 10.1016/j.bmcl.2007.06.053 | ||
| 44434180 | 159815 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 618 | 17 | 3 | 5 | 6.5 | CCCCN(CCCC)CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1 | 10.1016/j.bmcl.2007.06.053 | ||
| CHEMBL397576 | 159815 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 618 | 17 | 3 | 5 | 6.5 | CCCCN(CCCC)CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1 | 10.1016/j.bmcl.2007.06.053 | ||
| 44374557 | 126373 | 0 | None | -1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 693 | 11 | 6 | 6 | 1.9 | CN(C)CCNC(=O)C[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O | 10.1016/s0960-894x(01)00841-1 | ||
| CHEMBL346285 | 126373 | 0 | None | -1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 693 | 11 | 6 | 6 | 1.9 | CN(C)CCNC(=O)C[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O | 10.1016/s0960-894x(01)00841-1 | ||
| 44374622 | 126841 | 0 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 825 | 11 | 10 | 10 | -0.8 | CC(=O)NC1C(NC(=O)C[C@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)OC(CO)C(O)C1O | 10.1016/s0960-894x(01)00841-1 | ||
| CHEMBL350596 | 126841 | 0 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 825 | 11 | 10 | 10 | -0.8 | CC(=O)NC1C(NC(=O)C[C@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)OC(CO)C(O)C1O | 10.1016/s0960-894x(01)00841-1 | ||
| 11411718 | 175726 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 664 | 8 | 6 | 6 | 2.3 | O=C1C[C@H](NC2CCOCC2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CN1 | 10.1021/jm040832y | ||
| CHEMBL438839 | 175726 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 664 | 8 | 6 | 6 | 2.3 | O=C1C[C@H](NC2CCOCC2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CN1 | 10.1021/jm040832y | ||
| 44342797 | 174914 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 754 | 8 | 10 | 9 | -0.7 | O=C1C[C@H](NC(=O)[C@]2(O)C[C@@H](O)[C@@H](O)[C@H](O)C2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm011127h | ||
| CHEMBL432986 | 174914 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 754 | 8 | 10 | 9 | -0.7 | O=C1C[C@H](NC(=O)[C@]2(O)C[C@@H](O)[C@@H](O)[C@H](O)C2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm011127h | ||
| 44300619 | 205838 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 503 | 10 | 0 | 4 | 6.4 | CC/C(=N\OC)C1CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/s0960-894x(98)00037-7 | ||
| CHEMBL58638 | 205838 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 503 | 10 | 0 | 4 | 6.4 | CC/C(=N\OC)C1CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/s0960-894x(98)00037-7 | ||
| 44302496 | 105189 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 1081 | 23 | 8 | 14 | 2.5 | CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C(N)c1ccc([N+](=O)[O-])c2nonc12)C(N)=O | 10.1021/jm00039a012 | ||
| CHEMBL275499 | 105189 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 1081 | 23 | 8 | 14 | 2.5 | CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C(N)c1ccc([N+](=O)[O-])c2nonc12)C(N)=O | 10.1021/jm00039a012 | ||
| 44380338 | 127254 | 0 | None | -4 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 734 | 14 | 0 | 7 | 7.7 | CN(C/C(=N\OCCCn1ccnc1)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| CHEMBL354196 | 127254 | 0 | None | -4 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 734 | 14 | 0 | 7 | 7.7 | CN(C/C(=N\OCCCn1ccnc1)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| 44391153 | 71303 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 487 | 11 | 2 | 5 | 3.1 | CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 | 10.1016/j.bmcl.2004.11.045 | ||
| CHEMBL181446 | 71303 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 487 | 11 | 2 | 5 | 3.1 | CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 | 10.1016/j.bmcl.2004.11.045 | ||
| 44390553 | 176025 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 544 | 12 | 3 | 5 | 5.2 | CC(C)c1ccc(Oc2ccc(NC(=O)N[C@@H](Cc3ccccc3)C(=O)NCCCN3CCOCC3)cc2)cc1 | 10.1016/j.bmcl.2004.11.045 | ||
| CHEMBL441115 | 176025 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 544 | 12 | 3 | 5 | 5.2 | CC(C)c1ccc(Oc2ccc(NC(=O)N[C@@H](Cc3ccccc3)C(=O)NCCCN3CCOCC3)cc2)cc1 | 10.1016/j.bmcl.2004.11.045 | ||
| 44434183 | 174191 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 560 | 10 | 3 | 5 | 4.7 | O=C(NC1(C(=O)NC(Cc2ccccc2)C(=O)NCCN2CCCCC2)CCCCC1)c1cc2ccccc2s1 | 10.1016/j.bmcl.2007.06.053 | ||
| CHEMBL429631 | 174191 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 560 | 10 | 3 | 5 | 4.7 | O=C(NC1(C(=O)NC(Cc2ccccc2)C(=O)NCCN2CCCCC2)CCCCC1)c1cc2ccccc2s1 | 10.1016/j.bmcl.2007.06.053 | ||
| 44390532 | 71219 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 550 | 12 | 3 | 5 | 4.5 | O=C(Nc1ccc(OCc2cccc(Cl)c2)cc1)N[C@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 | 10.1016/j.bmcl.2004.11.045 | ||
| CHEMBL181330 | 71219 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 550 | 12 | 3 | 5 | 4.5 | O=C(Nc1ccc(OCc2cccc(Cl)c2)cc1)N[C@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 | 10.1016/j.bmcl.2004.11.045 | ||
| 44390539 | 71338 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 530 | 12 | 3 | 5 | 4.6 | CCc1ccc(Oc2ccc(NC(=O)N[C@H](Cc3ccccc3)C(=O)NCCCN3CCOCC3)cc2)cc1 | 10.1016/j.bmcl.2004.11.045 | ||
| CHEMBL181526 | 71338 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 530 | 12 | 3 | 5 | 4.6 | CCc1ccc(Oc2ccc(NC(=O)N[C@H](Cc3ccccc3)C(=O)NCCCN3CCOCC3)cc2)cc1 | 10.1016/j.bmcl.2004.11.045 | ||
| 44391105 | 72402 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 516 | 12 | 3 | 5 | 3.8 | O=C(Nc1ccc(OCc2ccccc2)cc1)N[C@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 | 10.1016/j.bmcl.2004.11.045 | ||
| CHEMBL183414 | 72402 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 516 | 12 | 3 | 5 | 3.8 | O=C(Nc1ccc(OCc2ccccc2)cc1)N[C@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 | 10.1016/j.bmcl.2004.11.045 | ||
| 10603037 | 123542 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 565 | 6 | 5 | 4 | 2.4 | O=C1CC(Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCN1 | 10.1021/jm0010217 | ||
| CHEMBL337628 | 123542 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 565 | 6 | 5 | 4 | 2.4 | O=C1CC(Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCN1 | 10.1021/jm0010217 | ||
| 44343099 | 118105 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 567 | 6 | 5 | 4 | 2.7 | O=C1CC(CC2C=CC=CC2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCN1 | 10.1021/jm011127h | ||
| CHEMBL326790 | 118105 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 567 | 6 | 5 | 4 | 2.7 | O=C1CC(CC2C=CC=CC2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCN1 | 10.1021/jm011127h | ||
| 44391036 | 71119 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 494 | 9 | 3 | 5 | 2.1 | O=C(NCCCN1CCOCC1)[C@H](Cc1ccccc1)NC(=O)N1CCCC(O)(c2ccccc2)C1 | 10.1016/j.bmcl.2004.11.045 | ||
| CHEMBL181225 | 71119 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 494 | 9 | 3 | 5 | 2.1 | O=C(NCCCN1CCOCC1)[C@H](Cc1ccccc1)NC(=O)N1CCCC(O)(c2ccccc2)C1 | 10.1016/j.bmcl.2004.11.045 | ||
| 44391009 | 129405 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 529 | 12 | 2 | 5 | 4.1 | CC(C)(Oc1cccc(-c2ccccc2)c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 | 10.1016/j.bmcl.2004.11.045 | ||
| CHEMBL360354 | 129405 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 529 | 12 | 2 | 5 | 4.1 | CC(C)(Oc1cccc(-c2ccccc2)c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 | 10.1016/j.bmcl.2004.11.045 | ||
| 2335 | 18620 | 22 | None | -3 | 12 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | ||
| 8478 | 18620 | 22 | None | -3 | 12 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | ||
| CHEMBL1182210 | 18620 | 22 | None | -3 | 12 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | ||
| CHEMBL221753 | 18620 | 22 | None | -3 | 12 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | ||
| 176 | 7186 | 66 | None | -4 | 31 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| 2157 | 7186 | 66 | None | -4 | 31 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| 2566 | 7186 | 66 | None | -4 | 31 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| CHEMBL633 | 7186 | 66 | None | -4 | 31 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| DB01118 | 7186 | 66 | None | -4 | 31 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| 3191 | 109635 | 97 | None | -12 | 25 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | ||
| CHEMBL305660 | 109635 | 97 | None | -12 | 25 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | ||
| DB11742 | 109635 | 97 | None | -12 | 25 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | ||
| 22405753 | 205574 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 503 | 10 | 1 | 3 | 5.5 | CC(=O)NCCC1CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/s0960-894x(98)00037-7 | ||
| CHEMBL58331 | 205574 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 503 | 10 | 1 | 3 | 5.5 | CC(=O)NCCC1CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/s0960-894x(98)00037-7 | ||
| 44329163 | 118226 | 0 | None | 2 | 2 | Golden hamster | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 344 | 3 | 2 | 6 | 2.8 | Cc1nc2[nH]c(N3CCOCC3)nc(Nc3ccc(Cl)cc3)c-2n1 | 10.1016/0960-894X(95)00502-K | ||
| CHEMBL327531 | 118226 | 0 | None | 2 | 2 | Golden hamster | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 344 | 3 | 2 | 6 | 2.8 | Cc1nc2[nH]c(N3CCOCC3)nc(Nc3ccc(Cl)cc3)c-2n1 | 10.1016/0960-894X(95)00502-K | ||
| 44363925 | 46837 | 0 | None | -3 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 754 | 13 | 1 | 7 | 8.4 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(N2CCC(OC(=O)NC(C)C)C2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00702-2 | ||
| CHEMBL147924 | 46837 | 0 | None | -3 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 754 | 13 | 1 | 7 | 8.4 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(N2CCC(OC(=O)NC(C)C)C2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00702-2 | ||
| 44364002 | 127826 | 0 | None | -8 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 627 | 11 | 1 | 5 | 6.9 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(C(N)=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00702-2 | ||
| CHEMBL356796 | 127826 | 0 | None | -8 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 627 | 11 | 1 | 5 | 6.9 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(C(N)=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00702-2 | ||
| 10022196 | 215066 | 0 | None | 45 | 2 | Golden hamster | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 372 | 4 | 2 | 6 | 3.7 | CC(C)c1nc2[nH]c(N3CCOCC3)nc(Nc3ccc(Cl)cc3)c-2n1 | 10.1016/0960-894X(95)00502-K | ||
| CHEMBL98977 | 215066 | 0 | None | 45 | 2 | Golden hamster | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 372 | 4 | 2 | 6 | 3.7 | CC(C)c1nc2[nH]c(N3CCOCC3)nc(Nc3ccc(Cl)cc3)c-2n1 | 10.1016/0960-894X(95)00502-K | ||
| 9809876 | 26172 | 1 | None | -398 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 661 | 10 | 0 | 5 | 7.9 | COc1c(C#N)cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(c2ccccc2[S@+](C)[O-])CC1)c1ccc(Cl)c(Cl)c1 | 10.1021/jm020094i | ||
| CHEMBL129321 | 26172 | 1 | None | -398 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 661 | 10 | 0 | 5 | 7.9 | COc1c(C#N)cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(c2ccccc2[S@+](C)[O-])CC1)c1ccc(Cl)c(Cl)c1 | 10.1021/jm020094i | ||
| 44329351 | 214897 | 0 | None | -13 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 358 | 4 | 2 | 6 | 3.1 | CCc1nc2[nH]c(N3CCOCC3)nc(Nc3ccc(Cl)cc3)c-2n1 | 10.1016/0960-894X(95)00502-K | ||
| CHEMBL97958 | 214897 | 0 | None | -13 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 358 | 4 | 2 | 6 | 3.1 | CCc1nc2[nH]c(N3CCOCC3)nc(Nc3ccc(Cl)cc3)c-2n1 | 10.1016/0960-894X(95)00502-K | ||
| 44337270 | 115379 | 0 | None | 4 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 665 | 8 | 3 | 6 | 4.5 | Cc1cc(C)cc(C(=O)N2CCN(C(=O)CNC3CCN(C(=O)[C@H](N)Cc4ccc(O)cc4)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 | 10.1016/s0960-894x(02)00645-5 | ||
| CHEMBL320486 | 115379 | 0 | None | 4 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 665 | 8 | 3 | 6 | 4.5 | Cc1cc(C)cc(C(=O)N2CCN(C(=O)CNC3CCN(C(=O)[C@H](N)Cc4ccc(O)cc4)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 | 10.1016/s0960-894x(02)00645-5 | ||
| 44281587 | 60332 | 0 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 660 | 11 | 1 | 6 | 7.4 | CO/N=C(\CN(C)C(=O)c1ccc(N(C)C)c2ccccc12)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| CHEMBL160210 | 60332 | 0 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 660 | 11 | 1 | 6 | 7.4 | CO/N=C(\CN(C)C(=O)c1ccc(N(C)C)c2ccccc12)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| 44281342 | 116208 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 598 | 11 | 1 | 5 | 7.7 | CO/N=C(\COCC12CC3CC(CC(C3)C1)C2)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| CHEMBL32201 | 116208 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 598 | 11 | 1 | 5 | 7.7 | CO/N=C(\COCC12CC3CC(CC(C3)C1)C2)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| 10032406 | 46728 | 0 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 667 | 11 | 0 | 5 | 7.8 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(N2CCCC2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00702-2 | ||
| CHEMBL147824 | 46728 | 0 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 667 | 11 | 0 | 5 | 7.8 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(N2CCCC2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00702-2 | ||
| 10484667 | 211334 | 0 | None | 2 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 676 | 11 | 1 | 5 | 8.7 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00463-7 | ||
| CHEMBL72930 | 211334 | 0 | None | 2 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 676 | 11 | 1 | 5 | 8.7 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00463-7 | ||
| 25129133 | 195666 | 0 | None | -10 | 4 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 1208 | 27 | 10 | 11 | 4.9 | CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1021/jm100157m | ||
| CHEMBL507340 | 195666 | 0 | None | -10 | 4 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 1208 | 27 | 10 | 11 | 4.9 | CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1021/jm100157m | ||
| 44300632 | 108751 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 476 | 8 | 1 | 3 | 5.7 | CN(CC(CCN1CCC(C(C)(C)O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 | 10.1016/s0960-894x(98)00037-7 | ||
| CHEMBL301437 | 108751 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 476 | 8 | 1 | 3 | 5.7 | CN(CC(CCN1CCC(C(C)(C)O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 | 10.1016/s0960-894x(98)00037-7 | ||
| 10389401 | 123877 | 0 | None | - | 1 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 457 | 5 | 1 | 3 | 5.5 | O=C1OC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1Cc1cccc2ccccc12 | 10.1021/jm00019a006 | ||
| CHEMBL339311 | 123877 | 0 | None | - | 1 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 457 | 5 | 1 | 3 | 5.5 | O=C1OC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1Cc1cccc2ccccc12 | 10.1021/jm00019a006 | ||
| 9843958 | 207572 | 1 | None | - | 1 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 400 | 6 | 2 | 3 | 3.5 | [O-][S+](CC1(O)CCN(CCc2c[nH]c3ccc(F)cc23)CC1)c1ccccc1 | 10.1016/S0960-894X(01)80541-2 | ||
| CHEMBL60064 | 207572 | 1 | None | - | 1 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 400 | 6 | 2 | 3 | 3.5 | [O-][S+](CC1(O)CCN(CCc2c[nH]c3ccc(F)cc23)CC1)c1ccccc1 | 10.1016/S0960-894X(01)80541-2 | ||
| 10627614 | 17264 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 615 | 6 | 5 | 4 | 3.7 | O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccc3ccccc3c2)CN1 | 10.1021/jm0010217 | ||
| CHEMBL116564 | 17264 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 615 | 6 | 5 | 4 | 3.7 | O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccc3ccccc3c2)CN1 | 10.1021/jm0010217 | ||
| 44434190 | 156297 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 588 | 11 | 3 | 5 | 5.4 | CC1CCCCN1CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1 | 10.1016/j.bmcl.2007.06.053 | ||
| CHEMBL394648 | 156297 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 588 | 11 | 3 | 5 | 5.4 | CC1CCCCN1CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1 | 10.1016/j.bmcl.2007.06.053 | ||
| 44577890 | 136875 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 632 | 13 | 3 | 6 | 4.5 | CC(C)Oc1ccc(C(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCC3CCN(CC4CCOCC4)CC3)CCCC2)cc1 | 10.1016/j.bmcl.2008.06.102 | ||
| CHEMBL367768 | 136875 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 632 | 13 | 3 | 6 | 4.5 | CC(C)Oc1ccc(C(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCC3CCN(CC4CCOCC4)CC3)CCCC2)cc1 | 10.1016/j.bmcl.2008.06.102 | ||
| 44374504 | 61623 | 0 | None | -1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 825 | 11 | 10 | 10 | -0.8 | CC(=O)NC1C(NC(=O)C[C@@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)OC(CO)C(O)C1O | 10.1016/s0960-894x(01)00841-1 | ||
| CHEMBL161288 | 61623 | 0 | None | -1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 825 | 11 | 10 | 10 | -0.8 | CC(=O)NC1C(NC(=O)C[C@@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)OC(CO)C(O)C1O | 10.1016/s0960-894x(01)00841-1 | ||
| 11787612 | 91962 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 664 | 8 | 6 | 6 | 2.3 | O=C1C[C@@H](NC2CCOCC2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CN1 | 10.1021/jm040832y | ||
| CHEMBL225393 | 91962 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 664 | 8 | 6 | 6 | 2.3 | O=C1C[C@@H](NC2CCOCC2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CN1 | 10.1021/jm040832y | ||
| 10627614 | 17264 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 615 | 6 | 5 | 4 | 3.7 | O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccc3ccccc3c2)CN1 | 10.1021/jm011127h | ||
| CHEMBL116564 | 17264 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 615 | 6 | 5 | 4 | 3.7 | O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccc3ccccc3c2)CN1 | 10.1021/jm011127h | ||
| 44343143 | 117203 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 665 | 10 | 7 | 6 | 1.4 | NCCCC(=O)N[C@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O | 10.1021/jm011127h | ||
| CHEMBL324532 | 117203 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 665 | 10 | 7 | 6 | 1.4 | NCCCC(=O)N[C@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O | 10.1021/jm011127h | ||
| 9887650 | 23423 | 0 | None | -6 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 407 | 5 | 1 | 3 | 4.3 | O=C1OC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1Cc1ccccc1 | 10.1021/jm00019a006 | ||
| CHEMBL124208 | 23423 | 0 | None | -6 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 407 | 5 | 1 | 3 | 4.3 | O=C1OC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1Cc1ccccc1 | 10.1021/jm00019a006 | ||
| 44434158 | 96901 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 562 | 11 | 4 | 5 | 4.1 | CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1)C(N)=O | 10.1016/j.bmcl.2007.06.053 | ||
| CHEMBL238181 | 96901 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 562 | 11 | 4 | 5 | 4.1 | CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1)C(N)=O | 10.1016/j.bmcl.2007.06.053 | ||
| 23625636 | 99596 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 557 | 11 | 4 | 5 | 3.0 | O=C(Nc1ccc(F)c(F)c1)NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1 | 10.1021/jm070289w | ||
| CHEMBL243726 | 99596 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 557 | 11 | 4 | 5 | 3.0 | O=C(Nc1ccc(F)c(F)c1)NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1 | 10.1021/jm070289w | ||
| 73347011 | 96184 | 0 | None | -1 | 2 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 730 | 6 | 7 | 8 | -0.6 | COc1ccc(CC2NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CNC2=O)cc1 | 10.1021/jm00029a007 | ||
| CHEMBL2370511 | 96184 | 0 | None | -1 | 2 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 730 | 6 | 7 | 8 | -0.6 | COc1ccc(CC2NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CNC2=O)cc1 | 10.1021/jm00029a007 | ||
| 44314154 | 211846 | 0 | None | -24 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 585 | 10 | 1 | 5 | 6.6 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCNCC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00464-9 | ||
| CHEMBL77265 | 211846 | 0 | None | -24 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 585 | 10 | 1 | 5 | 6.6 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCNCC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00464-9 | ||
| 1212 | 8443 | 50 | None | -389 | 65 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 204 | 8443 | 50 | None | -389 | 65 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 3372 | 8443 | 50 | None | -389 | 65 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| CHEMBL726 | 8443 | 50 | None | -389 | 65 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| DB00623 | 8443 | 50 | None | -389 | 65 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 51003494 | 65096 | 0 | None | -9 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 556 | 8 | 0 | 4 | 3.5 | CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCN(S(=O)(=O)N(C)C)CC1 | 10.1016/j.bmcl.2010.12.135 | ||
| CHEMBL1682680 | 65096 | 0 | None | -9 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 556 | 8 | 0 | 4 | 3.5 | CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCN(S(=O)(=O)N(C)C)CC1 | 10.1016/j.bmcl.2010.12.135 | ||
| 86274487 | 166868 | 0 | None | -691 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 408 | 2 | 0 | 7 | 3.6 | Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]3C)n1 | nan | ||
| CHEMBL4108583 | 166868 | 0 | None | -691 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 408 | 2 | 0 | 7 | 3.6 | Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]3C)n1 | nan | ||
| 10479619 | 119664 | 0 | None | - | 1 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 465 | 6 | 1 | 5 | 4.1 | COC(=O)c1cccc(CN2CC3(CCN(CCc4c[nH]c5ccc(F)cc45)CC3)OC2=O)c1 | 10.1021/jm00019a006 | ||
| CHEMBL331011 | 119664 | 0 | None | - | 1 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 465 | 6 | 1 | 5 | 4.1 | COC(=O)c1cccc(CN2CC3(CCN(CCc4c[nH]c5ccc(F)cc45)CC3)OC2=O)c1 | 10.1021/jm00019a006 | ||
| 2110 | 9743 | 38 | None | -138 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 605 | 8 | 0 | 3 | 7.4 | O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 | 10.1021/jm5017413 | ||
| 219077 | 9743 | 38 | None | -138 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 605 | 8 | 0 | 3 | 7.4 | O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 | 10.1021/jm5017413 | ||
| 3480 | 9743 | 38 | None | -138 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 605 | 8 | 0 | 3 | 7.4 | O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 | 10.1021/jm5017413 | ||
| CHEMBL346178 | 9743 | 38 | None | -138 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 605 | 8 | 0 | 3 | 7.4 | O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 | 10.1021/jm5017413 | ||
| DB04872 | 9743 | 38 | None | -138 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 605 | 8 | 0 | 3 | 7.4 | O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 | 10.1021/jm5017413 | ||
| 44391066 | 70232 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 530 | 12 | 3 | 5 | 4.1 | Cc1ccc(COc2ccc(NC(=O)N[C@@H](Cc3ccccc3)C(=O)NCCCN3CCOCC3)cc2)cc1 | 10.1016/j.bmcl.2004.11.045 | ||
| CHEMBL179796 | 70232 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 530 | 12 | 3 | 5 | 4.1 | Cc1ccc(COc2ccc(NC(=O)N[C@@H](Cc3ccccc3)C(=O)NCCCN3CCOCC3)cc2)cc1 | 10.1016/j.bmcl.2004.11.045 | ||
| 44390533 | 130647 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 584 | 12 | 3 | 5 | 4.9 | O=C(Nc1ccc(OCc2ccc(C(F)(F)F)cc2)cc1)N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 | 10.1016/j.bmcl.2004.11.045 | ||
| CHEMBL362682 | 130647 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 584 | 12 | 3 | 5 | 4.9 | O=C(Nc1ccc(OCc2ccc(C(F)(F)F)cc2)cc1)N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 | 10.1016/j.bmcl.2004.11.045 | ||
| 44312702 | 109959 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 686 | 13 | 0 | 7 | 7.5 | O=C(C1=C(c2ccccc2)OC2OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2[S+]1[O-])c1ccccc1 | 10.1016/s0960-894x(02)00471-7 | ||
| CHEMBL308177 | 109959 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 686 | 13 | 0 | 7 | 7.5 | O=C(C1=C(c2ccccc2)OC2OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2[S+]1[O-])c1ccccc1 | 10.1016/s0960-894x(02)00471-7 | ||
| 44312785 | 112191 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 502 | 9 | 1 | 8 | 2.8 | CCOC(=O)C1=C(C)OC2OC(COCc3ccccc3)C(OCc3ccccc3)C(O)C2[S+]1[O-] | 10.1016/s0960-894x(02)00471-7 | ||
| CHEMBL311857 | 112191 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 502 | 9 | 1 | 8 | 2.8 | CCOC(=O)C1=C(C)OC2OC(COCc3ccccc3)C(OCc3ccccc3)C(O)C2[S+]1[O-] | 10.1016/s0960-894x(02)00471-7 | ||
| 44391078 | 69659 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 529 | 12 | 2 | 5 | 4.1 | CC(C)(Oc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 | 10.1016/j.bmcl.2004.11.045 | ||
| CHEMBL178451 | 69659 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 529 | 12 | 2 | 5 | 4.1 | CC(C)(Oc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 | 10.1016/j.bmcl.2004.11.045 | ||
| 44390993 | 139187 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 529 | 12 | 2 | 5 | 4.1 | CC(C)(Oc1ccc(-c2ccccc2)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 | 10.1016/j.bmcl.2004.11.045 | ||
| CHEMBL369735 | 139187 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 529 | 12 | 2 | 5 | 4.1 | CC(C)(Oc1ccc(-c2ccccc2)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 | 10.1016/j.bmcl.2004.11.045 | ||
| 10578880 | 16613 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 565 | 6 | 5 | 4 | 2.4 | O=C1CC(Cc2ccccc2)C(=O)NCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm0010217 | ||
| CHEMBL114036 | 16613 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 565 | 6 | 5 | 4 | 2.4 | O=C1CC(Cc2ccccc2)C(=O)NCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm0010217 | ||
| 53472113 | 125636 | 0 | None | -398 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 519 | 4 | 0 | 7 | 6.3 | C[C@@H]1c2nnc(-c3csc(-c4ccc(F)cc4F)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1 | 10.1021/jm5017413 | ||
| CHEMBL3422009 | 125636 | 0 | None | -398 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 519 | 4 | 0 | 7 | 6.3 | C[C@@H]1c2nnc(-c3csc(-c4ccc(F)cc4F)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1 | 10.1021/jm5017413 | ||
| 10578880 | 16613 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 565 | 6 | 5 | 4 | 2.4 | O=C1CC(Cc2ccccc2)C(=O)NCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm011127h | ||
| CHEMBL114036 | 16613 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 565 | 6 | 5 | 4 | 2.4 | O=C1CC(Cc2ccccc2)C(=O)NCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 10.1021/jm011127h | ||
| 44282001 | 106584 | 0 | None | -1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 705 | 12 | 1 | 7 | 7.0 | CO/N=C(\CN(C)C(=O)c1cc(OC)c(Br)c(OC)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| CHEMBL285422 | 106584 | 0 | None | -1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 705 | 12 | 1 | 7 | 7.0 | CO/N=C(\CN(C)C(=O)c1cc(OC)c(Br)c(OC)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| 44281571 | 117166 | 0 | None | -1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 718 | 10 | 2 | 5 | 8.7 | CO/N=C(\CN(C)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| CHEMBL32430 | 117166 | 0 | None | -1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 718 | 10 | 2 | 5 | 8.7 | CO/N=C(\CN(C)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| 44281776 | 121029 | 0 | None | 3 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 568 | 11 | 1 | 5 | 7.3 | CO/N=C(\COCc1cc(C)cc(C)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| CHEMBL33302 | 121029 | 0 | None | 3 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 568 | 11 | 1 | 5 | 7.3 | CO/N=C(\COCc1cc(C)cc(C)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| 44337202 | 14747 | 0 | None | 5 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 700 | 7 | 1 | 4 | 7.3 | O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(C(=O)CNC2CCN(Cc3ccccc3)CC2)[C@H](c2ccc(Cl)c(Cl)c2)C1 | 10.1016/s0960-894x(02)00645-5 | ||
| CHEMBL109053 | 14747 | 0 | None | 5 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 700 | 7 | 1 | 4 | 7.3 | O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(C(=O)CNC2CCN(Cc3ccccc3)CC2)[C@H](c2ccc(Cl)c(Cl)c2)C1 | 10.1016/s0960-894x(02)00645-5 | ||
| 53317584 | 65264 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 640 | 13 | 2 | 6 | 5.4 | COc1cc2ccccc2cc1C(=O)NC1(C(=O)N[C@H](CCCN2CCN(CC3CCOCC3)CC2)Cc2ccccc2)CCCC1 | 10.1016/j.bmcl.2011.01.074 | ||
| CHEMBL1683153 | 65264 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 640 | 13 | 2 | 6 | 5.4 | COc1cc2ccccc2cc1C(=O)NC1(C(=O)N[C@H](CCCN2CCN(CC3CCOCC3)CC2)Cc2ccccc2)CCCC1 | 10.1016/j.bmcl.2011.01.074 | ||
| 118724121 | 123188 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 911 | 27 | 10 | 15 | -0.5 | CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)Nc1ccc([N+](=O)[O-])c2nonc12)C(C)C)C(N)=O | 10.1021/jm401823z | ||
| CHEMBL3360200 | 123188 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 911 | 27 | 10 | 15 | -0.5 | CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)Nc1ccc([N+](=O)[O-])c2nonc12)C(C)C)C(N)=O | 10.1021/jm401823z | ||
| 44380249 | 127122 | 0 | None | -3 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 706 | 12 | 1 | 6 | 7.3 | CN(C/C(=N\OCc1c[nH]cn1)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| CHEMBL353027 | 127122 | 0 | None | -3 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 706 | 12 | 1 | 6 | 7.3 | CN(C/C(=N\OCc1c[nH]cn1)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| 23626253 | 175527 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 566 | 14 | 6 | 7 | 2.1 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCNC(CO)CO)CCCC1)c1cc2ccccc2s1 | 10.1021/jm070289w | ||
| CHEMBL437164 | 175527 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 566 | 14 | 6 | 7 | 2.1 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCNC(CO)CO)CCCC1)c1cc2ccccc2s1 | 10.1021/jm070289w | ||
| 44380082 | 64889 | 0 | None | -12 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 683 | 13 | 1 | 6 | 6.7 | CN(C/C(=N\OCCCN)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| CHEMBL167606 | 64889 | 0 | None | -12 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 683 | 13 | 1 | 6 | 6.7 | CN(C/C(=N\OCCCN)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(02)00027-6 | ||
| 20906619 | 67442 | 7 | None | -31 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 396 | 4 | 1 | 4 | 3.7 | COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 | 10.1016/j.bmcl.2011.02.033 | ||
| CHEMBL1760338 | 67442 | 7 | None | -31 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 396 | 4 | 1 | 4 | 3.7 | COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 | 10.1016/j.bmcl.2011.02.033 | ||
| 9957749 | 187473 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 430 | 6 | 1 | 4 | 4.6 | CC(C)NC(=O)c1c(CN2CCN(C(C)C)CC2)c(-c2ccccc2)nc2ccccc12 | 10.1021/jm000501v | ||
| CHEMBL47555 | 187473 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 430 | 6 | 1 | 4 | 4.6 | CC(C)NC(=O)c1c(CN2CCN(C(C)C)CC2)c(-c2ccccc2)nc2ccccc12 | 10.1021/jm000501v | ||
| 44266493 | 174187 | 0 | None | -53 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 426 | 8 | 2 | 4 | 5.2 | CC[C@@H](NC(=O)c1c(OCCO)c(-c2ccccc2)nc2ccccc12)c1ccccc1 | 10.1021/jm980633c | ||
| CHEMBL429615 | 174187 | 0 | None | -53 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 426 | 8 | 2 | 4 | 5.2 | CC[C@@H](NC(=O)c1c(OCCO)c(-c2ccccc2)nc2ccccc12)c1ccccc1 | 10.1021/jm980633c | ||
| 44329001 | 214824 | 0 | None | - | 1 | Golden hamster | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 398 | 4 | 1 | 7 | 3.7 | COC(=O)c1ccc2c(Nc3ccc(Cl)cc3)nc(N3CCOCC3)nc2c1 | 10.1016/0960-894X(95)00502-K | ||
| CHEMBL97520 | 214824 | 0 | None | - | 1 | Golden hamster | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 398 | 4 | 1 | 7 | 3.7 | COC(=O)c1ccc2c(Nc3ccc(Cl)cc3)nc(N3CCOCC3)nc2c1 | 10.1016/0960-894X(95)00502-K | ||
| 5764 | 10270 | 46 | None | -58 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 396 | 5 | 1 | 4 | 4.5 | COC(=O)[C@@H](c1ccccc1)NC(=O)c1cc(nc2c1cccc2)c1ccccc1 | 10.1021/jm9602423 | ||
| 6604858 | 10270 | 46 | None | -58 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 396 | 5 | 1 | 4 | 4.5 | COC(=O)[C@@H](c1ccccc1)NC(=O)c1cc(nc2c1cccc2)c1ccccc1 | 10.1021/jm9602423 | ||
| CHEMBL9843 | 10270 | 46 | None | -58 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 396 | 5 | 1 | 4 | 4.5 | COC(=O)[C@@H](c1ccccc1)NC(=O)c1cc(nc2c1cccc2)c1ccccc1 | 10.1021/jm9602423 | ||
| 6604014 | 214627 | 7 | None | -28 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 396 | 5 | 1 | 4 | 4.5 | COC(=O)[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 | 10.1021/jm960818o | ||
| CHEMBL9643 | 214627 | 7 | None | -28 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 396 | 5 | 1 | 4 | 4.5 | COC(=O)[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 | 10.1021/jm960818o | ||
| 2110 | 9743 | 38 | None | -138 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 605 | 8 | 0 | 3 | 7.4 | O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 | 10.1016/j.bmcl.2011.02.033 | ||
| 219077 | 9743 | 38 | None | -138 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 605 | 8 | 0 | 3 | 7.4 | O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 | 10.1016/j.bmcl.2011.02.033 | ||
| 3480 | 9743 | 38 | None | -138 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 605 | 8 | 0 | 3 | 7.4 | O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 | 10.1016/j.bmcl.2011.02.033 | ||
| CHEMBL346178 | 9743 | 38 | None | -138 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 605 | 8 | 0 | 3 | 7.4 | O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 | 10.1016/j.bmcl.2011.02.033 | ||
| DB04872 | 9743 | 38 | None | -138 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 605 | 8 | 0 | 3 | 7.4 | O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 | 10.1016/j.bmcl.2011.02.033 | ||
| CHEMBL386783 | 219170 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](C)Nc1ccc([N+](=O)[O-])c2nonc12)C(N)=O | 10.1021/jm00039a012 | ||||
| 392622 | 63086 | 95 | None | 2 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 720 | 17 | 4 | 9 | 5.9 | CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1 | nan | ||
| CHEMBL163 | 63086 | 95 | None | 2 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 720 | 17 | 4 | 9 | 5.9 | CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1 | nan | ||
| 11273015 | 65039 | 0 | None | -14 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 563 | 8 | 1 | 3 | 6.0 | CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/j.bmcl.2010.12.135 | ||
| CHEMBL1682624 | 65039 | 0 | None | -14 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 563 | 8 | 1 | 3 | 6.0 | CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/j.bmcl.2010.12.135 | ||
| 28417 | 46813 | 49 | None | -1 | 12 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 337 | 0 | 1 | 3 | 4.2 | C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C | nan | ||
| CHEMBL1479 | 46813 | 49 | None | -1 | 12 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 337 | 0 | 1 | 3 | 4.2 | C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C | nan | ||
| DB01406 | 46813 | 49 | None | -1 | 12 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 337 | 0 | 1 | 3 | 4.2 | C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C | nan | ||
| 2600 | 10551 | 74 | None | -6 | 13 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | ||
| 2608 | 10551 | 74 | None | -6 | 13 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | ||
| 5405 | 10551 | 74 | None | -6 | 13 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | ||
| CHEMBL17157 | 10551 | 74 | None | -6 | 13 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | ||
| DB00342 | 10551 | 74 | None | -6 | 13 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | ||
| 44281567 | 115997 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 554 | 11 | 1 | 5 | 7.0 | CO/N=C(\COCc1ccc(C)cc1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| CHEMBL32173 | 115997 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 554 | 11 | 1 | 5 | 7.0 | CO/N=C(\COCc1ccc(C)cc1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| 10032693 | 116539 | 0 | None | -2 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 703 | 10 | 1 | 5 | 8.3 | CO/N=C(\CN(C)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| CHEMBL32309 | 116539 | 0 | None | -2 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 703 | 10 | 1 | 5 | 8.3 | CO/N=C(\CN(C)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00709-0 | ||
| 23625635 | 99595 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 647 | 11 | 4 | 5 | 3.3 | O=C(Nc1ccc(I)cc1)NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1 | 10.1021/jm070289w | ||
| CHEMBL243725 | 99595 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 647 | 11 | 4 | 5 | 3.3 | O=C(Nc1ccc(I)cc1)NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1 | 10.1021/jm070289w | ||
| 9828448 | 108019 | 0 | None | 50 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 458 | 7 | 1 | 4 | 5.2 | CC(C)C(C)NC(=O)c1c(CN2CCN(C(C)C)CC2)c(-c2ccccc2)nc2ccccc12 | 10.1021/jm000501v | ||
| CHEMBL296122 | 108019 | 0 | None | 50 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 458 | 7 | 1 | 4 | 5.2 | CC(C)C(C)NC(=O)c1c(CN2CCN(C(C)C)CC2)c(-c2ccccc2)nc2ccccc12 | 10.1021/jm000501v | ||
| 22405762 | 169932 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 474 | 9 | 0 | 3 | 5.9 | CCC(=O)C1CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/s0960-894x(98)00037-7 | ||
| CHEMBL417940 | 169932 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 474 | 9 | 0 | 3 | 5.9 | CCC(=O)C1CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/s0960-894x(98)00037-7 | ||
| 23625787 | 156141 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 532 | 12 | 3 | 5 | 2.7 | O=C(/C=C/c1ccccc1)NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1 | 10.1021/jm070289w | ||
| CHEMBL394531 | 156141 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 532 | 12 | 3 | 5 | 2.7 | O=C(/C=C/c1ccccc1)NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1 | 10.1021/jm070289w | ||
| 9939040 | 11782 | 7 | None | -2 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 623 | 7 | 2 | 3 | 6.1 | CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](/C=C/C(=O)N[C@@H]1CCCCNC1=O)Cc1ccc(Cl)c(Cl)c1 | 10.1021/jm030786m | ||
| CHEMBL105060 | 11782 | 7 | None | -2 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 623 | 7 | 2 | 3 | 6.1 | CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](/C=C/C(=O)N[C@@H]1CCCCNC1=O)Cc1ccc(Cl)c(Cl)c1 | 10.1021/jm030786m | ||
| 22405734 | 206796 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 460 | 9 | 0 | 2 | 6.8 | CCCC1CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/s0960-894x(98)00037-7 | ||
| CHEMBL59542 | 206796 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 460 | 9 | 0 | 2 | 6.8 | CCCC1CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/s0960-894x(98)00037-7 | ||
| 2726 | 7706 | 68 | None | -125 | 72 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| 621 | 7706 | 68 | None | -125 | 72 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| 83 | 7706 | 68 | None | -125 | 72 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| CHEMBL71 | 7706 | 68 | None | -125 | 72 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| DB00477 | 7706 | 68 | None | -125 | 72 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| 44363435 | 43962 | 0 | None | -1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 785 | 14 | 0 | 5 | 9.9 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(CN2CCCC(Cc3ccccc3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00702-2 | ||
| CHEMBL145314 | 43962 | 0 | None | -1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 785 | 14 | 0 | 5 | 9.9 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(CN2CCCC(Cc3ccccc3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00702-2 | ||
| 23625474 | 159966 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 551 | 12 | 3 | 7 | 2.2 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1ccc([N+](=O)[O-])cc1 | 10.1021/jm070289w | ||
| CHEMBL397704 | 159966 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 551 | 12 | 3 | 7 | 2.2 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1ccc([N+](=O)[O-])cc1 | 10.1021/jm070289w | ||
| 53232 | 195404 | 95 | None | 1 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 404 | 6 | 1 | 5 | 4.2 | CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 | nan | ||
| CHEMBL503 | 195404 | 95 | None | 1 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 404 | 6 | 1 | 5 | 4.2 | CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 | nan | ||
| 104974 | 10248 | 31 | None | -7 | 7 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 10.1016/S0960-894X(00)80694-0 | ||
| 2111 | 10248 | 31 | None | -7 | 7 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 10.1016/S0960-894X(00)80694-0 | ||
| 3481 | 10248 | 31 | None | -7 | 7 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 10.1016/S0960-894X(00)80694-0 | ||
| CHEMBL308148 | 10248 | 31 | None | -7 | 7 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 10.1016/S0960-894X(00)80694-0 | ||
| DB06660 | 10248 | 31 | None | -7 | 7 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 10.1016/S0960-894X(00)80694-0 | ||
| 44314486 | 112433 | 0 | None | -6 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 739 | 13 | 0 | 7 | 6.5 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N2CCC(N(C)C)C2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00464-9 | ||
| CHEMBL312528 | 112433 | 0 | None | -6 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 739 | 13 | 0 | 7 | 6.5 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N2CCC(N(C)C)C2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00464-9 | ||
| 23625322 | 99084 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 534 | 11 | 3 | 6 | 2.7 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CC1)c1cc2ccccc2s1 | 10.1021/jm070289w | ||
| CHEMBL242848 | 99084 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 534 | 11 | 3 | 6 | 2.7 | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CC1)c1cc2ccccc2s1 | 10.1021/jm070289w | ||
| 44392318 | 129321 | 0 | None | -38018 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 519 | 7 | 0 | 4 | 5.0 | O=C1CC[C@](CCN2CC(N3CCOCC3)C2)(c2ccc(Cl)c(Cl)c2)CN1C1(C2CC2)CCCC1 | 10.1016/j.bmcl.2005.05.134 | ||
| CHEMBL360134 | 129321 | 0 | None | -38018 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 519 | 7 | 0 | 4 | 5.0 | O=C1CC[C@](CCN2CC(N3CCOCC3)C2)(c2ccc(Cl)c(Cl)c2)CN1C1(C2CC2)CCCC1 | 10.1016/j.bmcl.2005.05.134 | ||
| 44550460 | 203816 | 0 | None | -69 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 537 | 8 | 0 | 3 | 5.9 | CC(=O)N(C)C1CCN(CCC(C)(C(=O)N(C)Cc2ccccc2Cl)c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm900948q | ||
| CHEMBL567198 | 203816 | 0 | None | -69 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 537 | 8 | 0 | 3 | 5.9 | CC(=O)N(C)C1CCN(CCC(C)(C(=O)N(C)Cc2ccccc2Cl)c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm900948q | ||
| 44314547 | 109652 | 0 | None | -5 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 661 | 11 | 0 | 5 | 8.5 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00464-9 | ||
| CHEMBL305826 | 109652 | 0 | None | -5 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 661 | 11 | 0 | 5 | 8.5 | CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00464-9 | ||
| 64143 | 205643 | 62 | None | -1 | 8 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 567 | 9 | 4 | 6 | 4.7 | Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C | nan | ||
| CHEMBL584 | 205643 | 62 | None | -1 | 8 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 567 | 9 | 4 | 6 | 4.7 | Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C | nan | ||
| 2247 | 7293 | 81 | None | -44 | 42 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| 249 | 7293 | 81 | None | -44 | 42 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| 2603 | 7293 | 81 | None | -44 | 42 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| CHEMBL296419 | 7293 | 81 | None | -44 | 42 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| DB00637 | 7293 | 81 | None | -44 | 42 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| 71549635 | 167653 | 0 | None | -1412 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 450 | 4 | 0 | 8 | 4.4 | C[C@@H]1c2nnc(-c3csc(N(C)C)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1 | nan | ||
| CHEMBL4115030 | 167653 | 0 | None | -1412 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 450 | 4 | 0 | 8 | 4.4 | C[C@@H]1c2nnc(-c3csc(N(C)C)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1 | nan | ||
| 2112 | 7391 | 0 | None | - | 1 | Human | 6.0 | pKd | = | 6 | Binding | Guide to Pharmacology | None | None | None | None | 7682062 | ||||
| 2115 | 8628 | 19 | None | -8 | 3 | Human | 8.7 | pKd | = | 8.7 | Binding | Guide to Pharmacology | 414 | 7 | 1 | 3 | 4.1 | COC1(CCN(CC1)CCc1c[nH]c2c1cc(F)cc2)C[S@@](=O)c1ccccc1 | 7562907 | ||
| 2115 | 8628 | 19 | None | -8 | 3 | Human | 8.7 | pKd | = | 8.7 | Binding | Guide to Pharmacology | 414 | 7 | 1 | 3 | 4.1 | COC1(CCN(CC1)CCc1c[nH]c2c1cc(F)cc2)C[S@@](=O)c1ccccc1 | 7682062 | ||
| 2115 | 8628 | 19 | None | -8 | 3 | Human | 8.7 | pKd | = | 8.7 | Binding | Guide to Pharmacology | 414 | 7 | 1 | 3 | 4.1 | COC1(CCN(CC1)CCc1c[nH]c2c1cc(F)cc2)C[S@@](=O)c1ccccc1 | 7713168 | ||
| 9953599 | 8628 | 19 | None | -8 | 3 | Human | 8.7 | pKd | = | 8.7 | Binding | Guide to Pharmacology | 414 | 7 | 1 | 3 | 4.1 | COC1(CCN(CC1)CCc1c[nH]c2c1cc(F)cc2)C[S@@](=O)c1ccccc1 | 7562907 | ||
| 9953599 | 8628 | 19 | None | -8 | 3 | Human | 8.7 | pKd | = | 8.7 | Binding | Guide to Pharmacology | 414 | 7 | 1 | 3 | 4.1 | COC1(CCN(CC1)CCc1c[nH]c2c1cc(F)cc2)C[S@@](=O)c1ccccc1 | 7682062 | ||
| 9953599 | 8628 | 19 | None | -8 | 3 | Human | 8.7 | pKd | = | 8.7 | Binding | Guide to Pharmacology | 414 | 7 | 1 | 3 | 4.1 | COC1(CCN(CC1)CCc1c[nH]c2c1cc(F)cc2)C[S@@](=O)c1ccccc1 | 7713168 | ||
| CHEMBL2110370 | 8628 | 19 | None | -8 | 3 | Human | 8.7 | pKd | = | 8.7 | Binding | Guide to Pharmacology | 414 | 7 | 1 | 3 | 4.1 | COC1(CCN(CC1)CCc1c[nH]c2c1cc(F)cc2)C[S@@](=O)c1ccccc1 | 7562907 | ||
| CHEMBL2110370 | 8628 | 19 | None | -8 | 3 | Human | 8.7 | pKd | = | 8.7 | Binding | Guide to Pharmacology | 414 | 7 | 1 | 3 | 4.1 | COC1(CCN(CC1)CCc1c[nH]c2c1cc(F)cc2)C[S@@](=O)c1ccccc1 | 7682062 | ||
| CHEMBL2110370 | 8628 | 19 | None | -8 | 3 | Human | 8.7 | pKd | = | 8.7 | Binding | Guide to Pharmacology | 414 | 7 | 1 | 3 | 4.1 | COC1(CCN(CC1)CCc1c[nH]c2c1cc(F)cc2)C[S@@](=O)c1ccccc1 | 7713168 | ||
| 2089 | 9542 | 28 | None | 102 | 5 | Human | 9.3 | pKd | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 10455255 | ||||
| 3795 | 9542 | 28 | None | 102 | 5 | Human | 9.3 | pKd | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 10455255 | ||||
| 5311311 | 9542 | 28 | None | 102 | 5 | Human | 9.3 | pKd | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 10455255 | ||||
| CHEMBL217406 | 9542 | 28 | None | 102 | 5 | Human | 9.3 | pKd | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 10455255 | ||||
| 104974 | 10248 | 31 | None | -7 | 7 | Rat | 9.7 | pKd | = | 9.7 | Binding | Guide to Pharmacology | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 7719707 | ||
| 2111 | 10248 | 31 | None | -7 | 7 | Rat | 9.7 | pKd | = | 9.7 | Binding | Guide to Pharmacology | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 7719707 | ||
| 3481 | 10248 | 31 | None | -7 | 7 | Rat | 9.7 | pKd | = | 9.7 | Binding | Guide to Pharmacology | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 7719707 | ||
| CHEMBL308148 | 10248 | 31 | None | -7 | 7 | Rat | 9.7 | pKd | = | 9.7 | Binding | Guide to Pharmacology | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 7719707 | ||
| DB06660 | 10248 | 31 | None | -7 | 7 | Rat | 9.7 | pKd | = | 9.7 | Binding | Guide to Pharmacology | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 7719707 | ||
| 9850582 | 204021 | 22 | 125I-[MePhe7]-NKB | -1 | 6 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(c2ccccc2)CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 | None | ||
| CHEMBL56835 | 204021 | 22 | 125I-[MePhe7]-NKB | -1 | 6 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(c2ccccc2)CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 | None | ||
| 9850582 | 204021 | 22 | 3H-NEUROKININ A | -1 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(c2ccccc2)CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 | None | ||
| CHEMBL56835 | 204021 | 22 | 3H-NEUROKININ A | -1 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(c2ccccc2)CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 | None | ||
| 9850582 | 204021 | 22 | 125I-Iodohistidyl | -1 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(c2ccccc2)CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 | None | ||
| CHEMBL56835 | 204021 | 22 | 125I-Iodohistidyl | -1 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(c2ccccc2)CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 | None | ||
| None | 222852 | 0 | 125I-Iodohistidyl | -1 | 6 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 1133 | 37 | 16 | 17 | -4.6 | CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CO)NC(=O)C(CC(=O)O)NC(=O)C(C(C)O)NC(=O)C(CCCCN)NC(=O)C(CC2=CN=CN2)N | None | ||
| None | 222852 | 0 | 125I-Iodohistidyl | -1 | 6 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 1133 | 37 | 16 | 17 | -4.6 | CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CO)NC(=O)C(CC(=O)O)NC(=O)C(C(C)O)NC(=O)C(CCCCN)NC(=O)C(CC2=CN=CN2)N | None | ||
| 9850582 | 204021 | 22 | 125I-Iodohistidyl | 1 | 6 | Bovine | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(c2ccccc2)CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 | None | ||
| CHEMBL56835 | 204021 | 22 | 125I-Iodohistidyl | 1 | 6 | Bovine | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(c2ccccc2)CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 | None | ||
| None | 222852 | 0 | 125I-[MePhe7]-NKB | -1 | 6 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 1133 | 37 | 16 | 17 | -4.6 | CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CO)NC(=O)C(CC(=O)O)NC(=O)C(C(C)O)NC(=O)C(CCCCN)NC(=O)C(CC2=CN=CN2)N | None | ||
| None | 222852 | 0 | 125I-Iodohistidyl | 1 | 6 | Rat | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 1133 | 37 | 16 | 17 | -4.6 | CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CO)NC(=O)C(CC(=O)O)NC(=O)C(C(C)O)NC(=O)C(CCCCN)NC(=O)C(CC2=CN=CN2)N | None | ||
| None | 222852 | 0 | 125I-Iodohistidyl | -1 | 6 | Bovine | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 1133 | 37 | 16 | 17 | -4.6 | CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CO)NC(=O)C(CC(=O)O)NC(=O)C(C(C)O)NC(=O)C(CCCCN)NC(=O)C(CC2=CN=CN2)N | None | ||
| None | 222852 | 0 | 125I-Iodohistidyl | -1 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 1133 | 37 | 16 | 17 | -4.6 | CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CO)NC(=O)C(CC(=O)O)NC(=O)C(C(C)O)NC(=O)C(CCCCN)NC(=O)C(CC2=CN=CN2)N | None | ||
| None | 222854 | 0 | 125I-Iodohistidyl-NKA | -95 | 8 | Rat | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 605 | 8 | 0 | 3 | 7.4 | CC(=O)N(C)C1(CCN(CC1)CCCC2(CCCN(C2)C(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5 | None | ||
| 202 | 8290 | 77 | UNDEFINED | -9 | 33 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
| 60835 | 8290 | 77 | UNDEFINED | -9 | 33 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
| 972 | 8290 | 77 | UNDEFINED | -9 | 33 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
| CHEMBL1175 | 8290 | 77 | UNDEFINED | -9 | 33 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
| DB00476 | 8290 | 77 | UNDEFINED | -9 | 33 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
| 5656 | 209845 | 87 | UNDEFINED | -7 | 43 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 277 | 5 | 1 | 3 | 3.0 | COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1 | None | ||
| CHEMBL637 | 209845 | 87 | UNDEFINED | -7 | 43 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 277 | 5 | 1 | 3 | 3.0 | COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1 | None | ||
| 54841 | 209906 | 52 | UNDEFINED | -1 | 30 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 255 | 6 | 1 | 2 | 3.7 | CNCC[C@@H](Oc1ccccc1C)c1ccccc1 | None | ||
| CHEMBL641 | 209906 | 52 | UNDEFINED | -1 | 30 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 255 | 6 | 1 | 2 | 3.7 | CNCC[C@@H](Oc1ccccc1C)c1ccccc1 | None | ||
| 3075702 | 224111 | 0 | 125I-NKA | -2 | 37 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 198 | 3 | 1 | 3 | 1.5 | C1CNC1COC2=CN=C(C=C2)Cl | None | ||
| 119376 | 8622 | 48 | 3H-NEUROKININ A | -54954 | 27 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 393 | 7 | 1 | 6 | 1.6 | O=C(c1cn(c2c1cccc2)C)OCC1CCN(CC1)CCNS(=O)(=O)C | None | ||
| 247 | 8622 | 48 | 3H-NEUROKININ A | -54954 | 27 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 393 | 7 | 1 | 6 | 1.6 | O=C(c1cn(c2c1cccc2)C)OCC1CCN(CC1)CCNS(=O)(=O)C | None | ||
| CHEMBL33884 | 8622 | 48 | 3H-NEUROKININ A | -54954 | 27 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 393 | 7 | 1 | 6 | 1.6 | O=C(c1cn(c2c1cccc2)C)OCC1CCN(CC1)CCNS(=O)(=O)C | None | ||
| 3294 | 8787 | 111 | 125I-NKA | -14454 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| 71360 | 8787 | 111 | 125I-NKA | -14454 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| 87 | 8787 | 111 | 125I-NKA | -14454 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| CHEMBL14376 | 8787 | 111 | 125I-NKA | -14454 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| DB04946 | 8787 | 111 | 125I-NKA | -14454 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| 243 | 9976 | 91 | 3H-SR 48968 | -1096 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | None | ||
| 3052762 | 9976 | 91 | 3H-SR 48968 | -1096 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | None | ||
| 3502 | 9976 | 91 | 3H-SR 48968 | -1096 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | None | ||
| CHEMBL117287 | 9976 | 91 | 3H-SR 48968 | -1096 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | None | ||
| DB06480 | 9976 | 91 | 3H-SR 48968 | -1096 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | None | ||
| 21830793 | 98610 | 10 | 3H-8-OH-DPAT | -66069 | 46 | Bovine | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 373 | 7 | 0 | 8 | 0.6 | COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 | None | ||
| CHEMBL2413154 | 98610 | 10 | 3H-8-OH-DPAT | -66069 | 46 | Bovine | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 373 | 7 | 0 | 8 | 0.6 | COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 | None | ||
| 44208932 | 147485 | 7 | UNDEFINED | -89125 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 475 | 5 | 1 | 3 | 6.8 | Cc1ccc(Cn2nc(C(=O)NC3C4(C)CCC(C4)C3(C)C)cc2-c2ccc(Cl)c(C)c2)cc1 | None | ||
| CHEMBL381689 | 147485 | 7 | UNDEFINED | -89125 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 475 | 5 | 1 | 3 | 6.8 | Cc1ccc(Cn2nc(C(=O)NC3C4(C)CCC(C4)C3(C)C)cc2-c2ccc(Cl)c(C)c2)cc1 | None | ||
| 5079497 | 222853 | 0 | 125I-[MePhe7]-NKB | -1445 | 3 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 841 | 26 | 8 | 10 | -0.0 | CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CNC(=O)C(CC1=CC=CC=C1)N(C)C(=O)C(CC2=CC=CC=C2)NC(=O)C(CC(=O)O)NC(=O)CCC(=O)O | None | ||
| None | 222907 | 0 | 125I-Neurokinin A | -1 | 13 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 164 | 3 | 1 | 3 | 0.8 | C1CNC1COC2=CN=CC=C2 | None | ||
| 119380 | 222908 | 0 | 125I-Neurokinin A | -1 | 8 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 166 | 1 | 0 | 3 | 1.8 | CC1=NOC(=C1)C2CCCN2C | None | ||
| None | 223272 | 0 | 125I-NKA | -10471285 | 17 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 372 | 2 | 1 | 3 | 4.4 | CC(C)(C)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=C(C=CC=N3)Cl | None | ||
| 2098 | 10466 | 36 | 125I-[MePhe7]-NKB | -457 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 36511 | 10466 | 36 | 125I-[MePhe7]-NKB | -457 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 3805 | 10466 | 36 | 125I-[MePhe7]-NKB | -457 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 3835 | 10466 | 36 | 125I-[MePhe7]-NKB | -457 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL235363 | 10466 | 36 | 125I-[MePhe7]-NKB | -457 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 133090 | 105199 | 20 | 125I-NKA | -9 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 382 | 5 | 2 | 3 | 5.5 | CCC(NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1 | None | ||
| 133090 | 105199 | 20 | 125I-[MePhe7]-NKB | -9 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 382 | 5 | 2 | 3 | 5.5 | CCC(NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1 | None | ||
| CHEMBL275544 | 105199 | 20 | 125I-NKA | -9 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 382 | 5 | 2 | 3 | 5.5 | CCC(NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1 | None | ||
| CHEMBL275544 | 105199 | 20 | 125I-[MePhe7]-NKB | -9 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 382 | 5 | 2 | 3 | 5.5 | CCC(NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1 | None | ||
| None | 222966 | 0 | 125I-Iodohistidyl | -1023 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 588 | 8 | 2 | 5 | 4.3 | CN1C=C(C2=CC=CC=C21)C(=O)N3CC(CC3C(=O)NC(CC4=CC5=CC=CC=C5C=C4)C(=O)N(C)CC6=CC=CC=C6)O | None | ||
| None | 222851 | 0 | 125I-[MePhe7]-NKB | -20 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 1210 | 38 | 14 | 16 | -1.6 | CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC(=O)O)NC(=O)C(CC3=CN=CN3)NC(=O)C(CCSC)NC(=O)C(CC(=O)O)N | None | ||
| None | 222852 | 0 | 125I-Iodohistidyl | -3 | 6 | Guinea pig | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 1133 | 37 | 16 | 17 | -4.6 | CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CO)NC(=O)C(CC(=O)O)NC(=O)C(C(C)O)NC(=O)C(CCCCN)NC(=O)C(CC2=CN=CN2)N | None | ||
| None | 222854 | 0 | 3H-NEUROKININ A | -54 | 8 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 605 | 8 | 0 | 3 | 7.4 | CC(=O)N(C)C1(CCN(CC1)CCCC2(CCCN(C2)C(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5 | None | ||
| None | 222854 | 0 | 125I-Iodohistidyl-NKA | -54 | 8 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 605 | 8 | 0 | 3 | 7.4 | CC(=O)N(C)C1(CCN(CC1)CCCC2(CCCN(C2)C(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5 | None | ||
| None | 222854 | 0 | 125I-Iodohistidyl-NKA | -95 | 8 | Rat | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 605 | 8 | 0 | 3 | 7.4 | CC(=O)N(C)C1(CCN(CC1)CCCC2(CCCN(C2)C(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5 | None | ||
| None | 222967 | 0 | 125I-Iodohistidyl | -3 | 6 | Bovine | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 1041 | 17 | 10 | 13 | 0.9 | CCCCCC1=CC=CC=C1CCC(=O)NC2C(OC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(=CC3=CC=C(C=C3)O)N(C2=O)C)CC(C)C)CC4=CC=CC=C4)C(C)O)CC(=O)N)CO)C | None | ||
| None | 222854 | 0 | 125I-NEUROPEPTIDE Y | -95 | 8 | Guinea pig | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 605 | 8 | 0 | 3 | 7.4 | CC(=O)N(C)C1(CCN(CC1)CCCC2(CCCN(C2)C(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5 | None | ||
| None | 222967 | 0 | 125I-Iodohistidyl | -12 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 1041 | 17 | 10 | 13 | 0.9 | CCCCCC1=CC=CC=C1CCC(=O)NC2C(OC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(=CC3=CC=C(C=C3)O)N(C2=O)C)CC(C)C)CC4=CC=CC=C4)C(C)O)CC(=O)N)CO)C | None | ||
| None | 222854 | 0 | 125I-[MePhe7]-NKB | -54 | 8 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 605 | 8 | 0 | 3 | 7.4 | CC(=O)N(C)C1(CCN(CC1)CCCC2(CCCN(C2)C(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5 | None | ||
| None | 222854 | 0 | 125I-NKA | -54 | 8 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 605 | 8 | 0 | 3 | 7.4 | CC(=O)N(C)C1(CCN(CC1)CCCC2(CCCN(C2)C(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5 | None | ||
| None | 222967 | 0 | 125I-Iodohistidyl | -12 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 1041 | 17 | 10 | 13 | 0.9 | CCCCCC1=CC=CC=C1CCC(=O)NC2C(OC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(=CC3=CC=C(C=C3)O)N(C2=O)C)CC(C)C)CC4=CC=CC=C4)C(C)O)CC(=O)N)CO)C | None | ||
| 64143 | 205643 | 62 | None | -1 | 8 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 567 | 9 | 4 | 6 | 4.7 | Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C | None | ||
| CHEMBL584 | 205643 | 62 | None | -1 | 8 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 567 | 9 | 4 | 6 | 4.7 | Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C | None | ||
| 53232 | 195404 | 95 | None | 1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 404 | 6 | 1 | 5 | 4.2 | CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 | None | ||
| CHEMBL503 | 195404 | 95 | None | 1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 404 | 6 | 1 | 5 | 4.2 | CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 | None | ||
| 2726 | 7706 | 68 | None | -125 | 72 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 621 | 7706 | 68 | None | -125 | 72 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 83 | 7706 | 68 | None | -125 | 72 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| CHEMBL71 | 7706 | 68 | None | -125 | 72 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| DB00477 | 7706 | 68 | None | -125 | 72 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 28417 | 46813 | 49 | None | -1 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 337 | 0 | 1 | 3 | 4.2 | C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C | None | ||
| CHEMBL1479 | 46813 | 49 | None | -1 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 337 | 0 | 1 | 3 | 4.2 | C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C | None | ||
| DB01406 | 46813 | 49 | None | -1 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 337 | 0 | 1 | 3 | 4.2 | C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C | None | ||
| 1212 | 8443 | 50 | None | -389 | 65 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 204 | 8443 | 50 | None | -389 | 65 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 3372 | 8443 | 50 | None | -389 | 65 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| CHEMBL726 | 8443 | 50 | None | -389 | 65 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| DB00623 | 8443 | 50 | None | -389 | 65 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 176 | 7186 | 66 | None | -4 | 31 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
| 2157 | 7186 | 66 | None | -4 | 31 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
| 2566 | 7186 | 66 | None | -4 | 31 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
| CHEMBL633 | 7186 | 66 | None | -4 | 31 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
| DB01118 | 7186 | 66 | None | -4 | 31 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
| 3823 | 56995 | 42 | None | -36 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | None | ||
| 76973198 | 56995 | 42 | None | -36 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | None | ||
| CHEMBL157101 | 56995 | 42 | None | -36 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | None | ||
| 2812 | 11551 | 101 | None | -28 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | None | ||
| CHEMBL104 | 11551 | 101 | None | -28 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | None | ||
| 448537 | 167029 | 89 | None | -26 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | None | ||
| CHEMBL411 | 167029 | 89 | None | -26 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | None | ||
| 657255 | 205863 | 34 | None | -17 | 15 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | None | ||
| CHEMBL588119 | 205863 | 34 | None | -17 | 15 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | None | ||
| 441243 | 16608 | 58 | None | -19 | 8 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 670 | 12 | 5 | 7 | 3.1 | CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 | None | ||
| CHEMBL114 | 16608 | 58 | None | -19 | 8 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 670 | 12 | 5 | 7 | 3.1 | CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 | None | ||
| 138106885 | 173690 | 75 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 853 | 10 | 4 | 14 | 3.7 | CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C | None | ||
| 36314 | 173690 | 75 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 853 | 10 | 4 | 14 | 3.7 | CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C | None | ||
| CHEMBL428647 | 173690 | 75 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 853 | 10 | 4 | 14 | 3.7 | CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C | None | ||
| 3198 | 212292 | 76 | None | -21 | 34 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | ||
| CHEMBL1201049 | 212292 | 76 | None | -21 | 34 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | ||
| CHEMBL808 | 212292 | 76 | None | -21 | 34 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | ||
| 5362440 | 16793 | 63 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 613 | 11 | 4 | 7 | 2.9 | CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O | None | ||
| CHEMBL115 | 16793 | 63 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 613 | 11 | 4 | 7 | 2.9 | CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O | None | ||
| 5318 | 22348 | 49 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | ||
| CHEMBL1200348 | 22348 | 49 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | ||
| CHEMBL1221 | 22348 | 49 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | ||
| 4189 | 213701 | 96 | None | -18 | 34 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | ||
| CHEMBL1559 | 213701 | 96 | None | -18 | 34 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | ||
| CHEMBL91 | 213701 | 96 | None | -18 | 34 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | ||
| 2406 | 107180 | 89 | None | -16 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 354 | 2 | 2 | 3 | 5.9 | Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O | None | ||
| CHEMBL290106 | 107180 | 89 | None | -16 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 354 | 2 | 2 | 3 | 5.9 | Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O | None | ||
| 1548955 | 95356 | 20 | None | -1 | 18 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1 | None | ||
| 2800 | 95356 | 20 | None | -1 | 18 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1 | None | ||
| CHEMBL2355051 | 95356 | 20 | None | -1 | 18 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1 | None | ||
| 1024 | 8072 | 71 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | None | None | None | None | None | ||||
| 162639143 | 8072 | 71 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | None | None | None | None | None | ||||
| 5284373 | 8072 | 71 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | None | None | None | None | None | ||||
| 760 | 8072 | 71 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | None | None | None | None | None | ||||
| CHEMBL160 | 8072 | 71 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | None | None | None | None | None | ||||
| DB00091 | 8072 | 71 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | None | None | None | None | None | ||||
| 3598 | 194600 | 76 | None | -1 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 404 | 2 | 2 | 2 | 6.6 | Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl | None | ||
| CHEMBL496 | 194600 | 76 | None | -1 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 404 | 2 | 2 | 2 | 6.6 | Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl | None | ||
| 133 | 9274 | 52 | None | -165 | 43 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
| 1723 | 9274 | 52 | None | -165 | 43 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
| 28693 | 9274 | 52 | None | -165 | 43 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
| CHEMBL19215 | 9274 | 52 | None | -165 | 43 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
| DB13520 | 9274 | 52 | None | -165 | 43 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
| 2351 | 10059 | 64 | None | -13 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | None | ||
| 2820 | 10059 | 64 | None | -13 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | None | ||
| 5035 | 10059 | 64 | None | -13 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | None | ||
| CHEMBL81 | 10059 | 64 | None | -13 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | None | ||
| DB00481 | 10059 | 64 | None | -13 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | None | ||
| 1836 | 9370 | 59 | None | -40 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | None | ||
| 3340 | 9370 | 59 | None | -40 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | None | ||
| 5281040 | 9370 | 59 | None | -40 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | None | ||
| CHEMBL787 | 9370 | 59 | None | -40 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | None | ||
| DB00471 | 9370 | 59 | None | -40 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | None | ||
| 1016 | 10519 | 78 | None | -16 | 35 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
| 2561 | 10519 | 78 | None | -16 | 35 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
| 2733526 | 10519 | 78 | None | -16 | 35 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
| 5384 | 10519 | 78 | None | -16 | 35 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
| CHEMBL83 | 10519 | 78 | None | -16 | 35 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
| DB00675 | 10519 | 78 | None | -16 | 35 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
| 5353853 | 24758 | 47 | None | -14 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | ||
| 9556529 | 24758 | 47 | None | -14 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | ||
| CHEMBL1262 | 24758 | 47 | None | -14 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | ||
| 2247 | 7293 | 81 | None | -44 | 42 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
| 249 | 7293 | 81 | None | -44 | 42 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
| 2603 | 7293 | 81 | None | -44 | 42 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
| CHEMBL296419 | 7293 | 81 | None | -44 | 42 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
| DB00637 | 7293 | 81 | None | -44 | 42 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
| 2600 | 10551 | 74 | None | -6 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | None | ||
| 2608 | 10551 | 74 | None | -6 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | None | ||
| 5405 | 10551 | 74 | None | -6 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | None | ||
| CHEMBL17157 | 10551 | 74 | None | -6 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | None | ||
| DB00342 | 10551 | 74 | None | -6 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | None | ||
| 392622 | 63086 | 95 | None | 2 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 720 | 17 | 4 | 9 | 5.9 | CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1 | None | ||
| CHEMBL163 | 63086 | 95 | None | 2 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 720 | 17 | 4 | 9 | 5.9 | CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1 | None | ||
| 2335 | 18620 | 22 | None | -3 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | None | ||
| 8478 | 18620 | 22 | None | -3 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | None | ||
| CHEMBL1182210 | 18620 | 22 | None | -3 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | None | ||
| CHEMBL221753 | 18620 | 22 | None | -3 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | None | ||
| 3191 | 109635 | 97 | None | -12 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | None | ||
| CHEMBL305660 | 109635 | 97 | None | -12 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | None | ||
| DB11742 | 109635 | 97 | None | -12 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | None | ||
| 11057 | 182928 | 23 | None | -1 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | None | ||
| 3468 | 182928 | 23 | None | -1 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | None | ||
| CHEMBL459265 | 182928 | 23 | None | -1 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | None | ||
| CHEMBL64894 | 182928 | 23 | None | -1 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | None | ||
| 138106918 | 202265 | 42 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 778 | 7 | 2 | 11 | 4.8 | CCC1=C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2 | None | ||
| 5311497 | 202265 | 42 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 778 | 7 | 2 | 11 | 4.8 | CCC1=C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2 | None | ||
| CHEMBL553025 | 202265 | 42 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 778 | 7 | 2 | 11 | 4.8 | CCC1=C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2 | None | ||
| 148124 | 213878 | 86 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 807 | 8 | 5 | 14 | 3.3 | CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C | None | ||
| CHEMBL3545252 | 213878 | 86 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 807 | 8 | 5 | 14 | 3.3 | CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C | None | ||
| CHEMBL92 | 213878 | 86 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 807 | 8 | 5 | 14 | 3.3 | CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C | None | ||
| 3561 | 25849 | 39 | None | -1 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 360 | 2 | 0 | 1 | 4.4 | Clc1cc(Cl)c(OCC#CI)cc1Cl | None | ||
| CHEMBL1289 | 25849 | 39 | None | -1 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 360 | 2 | 0 | 1 | 4.4 | Clc1cc(Cl)c(OCC#CI)cc1Cl | None | ||
| 9850582 | 204021 | 22 | 125I-Iodohistidyl | -1 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(c2ccccc2)CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 | None | ||
| CHEMBL56835 | 204021 | 22 | 125I-Iodohistidyl | -1 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(c2ccccc2)CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 | None | ||
| None | 222854 | 0 | 125I-NEUROPEPTIDE Y | -95 | 8 | Guinea pig | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 605 | 8 | 0 | 3 | 7.4 | CC(=O)N(C)C1(CCN(CC1)CCCC2(CCCN(C2)C(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5 | None | ||
| 1973 | 210262 | 15 | 125I-NKA | -3 | 36 | Rat | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 462 | 3 | 1 | 7 | 3.9 | Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12 | None | ||
| CHEMBL1394464 | 210262 | 15 | 125I-NKA | -3 | 36 | Rat | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 462 | 3 | 1 | 7 | 3.9 | Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12 | None | ||
| CHEMBL66089 | 210262 | 15 | 125I-NKA | -3 | 36 | Rat | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 462 | 3 | 1 | 7 | 3.9 | Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12 | None | ||
| 5771 | 10921 | 0 | None | -17 | 2 | Human | 3.8 | pKi | = | 3.8 | Binding | Guide to Pharmacology | 471 | 5 | 2 | 8 | 2.7 | O/N=C(/C(=O)N1CCN(CC1)c1nc(Nc2ccc(cc2)Cl)c2c(n1)C(=O)N(C2)C(C)C)\C | 7562491 | ||
| 9847605 | 10921 | 0 | None | -17 | 2 | Human | 3.8 | pKi | = | 3.8 | Binding | Guide to Pharmacology | 471 | 5 | 2 | 8 | 2.7 | O/N=C(/C(=O)N1CCN(CC1)c1nc(Nc2ccc(cc2)Cl)c2c(n1)C(=O)N(C2)C(C)C)\C | 7562491 | ||
| 5771 | 10921 | 0 | None | 17 | 2 | Guinea pig | 5.1 | pKi | = | 5.1 | Binding | Guide to Pharmacology | 471 | 5 | 2 | 8 | 2.7 | O/N=C(/C(=O)N1CCN(CC1)c1nc(Nc2ccc(cc2)Cl)c2c(n1)C(=O)N(C2)C(C)C)\C | 7562491 | ||
| 9847605 | 10921 | 0 | None | 17 | 2 | Guinea pig | 5.1 | pKi | = | 5.1 | Binding | Guide to Pharmacology | 471 | 5 | 2 | 8 | 2.7 | O/N=C(/C(=O)N1CCN(CC1)c1nc(Nc2ccc(cc2)Cl)c2c(n1)C(=O)N(C2)C(C)C)\C | 7562491 | ||
| 107967 | 8427 | 0 | None | -1000 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | Guide to Pharmacology | 588 | 8 | 2 | 5 | 4.3 | O[C@@H]1C[C@H](N(C1)C(=O)c1cn(c2c1cccc2)C)C(=O)N[C@H](C(=O)N(Cc1ccccc1)C)Cc1ccc2c(c1)cccc2 | 11937780 | ||
| 2114 | 8427 | 0 | None | -1000 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | Guide to Pharmacology | 588 | 8 | 2 | 5 | 4.3 | O[C@@H]1C[C@H](N(C1)C(=O)c1cn(c2c1cccc2)C)C(=O)N[C@H](C(=O)N(Cc1ccccc1)C)Cc1ccc2c(c1)cccc2 | 11937780 | ||
| CHEMBL1416993 | 8427 | 0 | None | -1000 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | Guide to Pharmacology | 588 | 8 | 2 | 5 | 4.3 | O[C@@H]1C[C@H](N(C1)C(=O)c1cn(c2c1cccc2)C)C(=O)N[C@H](C(=O)N(Cc1ccccc1)C)Cc1ccc2c(c1)cccc2 | 11937780 | ||
| 2087 | 8701 | 0 | None | -28183 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | None | None | None | None | 11786503 | ||||
| 164286 | 10045 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | None | None | None | None | 7682062 | ||||
| 2118 | 10045 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | None | None | None | None | 7682062 | ||||
| 10327625 | 10896 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 607 | 9 | 0 | 2 | 8.3 | CC(Oc1cccc(c1)CC(=O)N1CCCC(C1)(CC[N+]1(C)CCC(CC1)c1ccccc1)c1ccc(c(c1)Cl)Cl)C | 11937780 | ||
| 2122 | 10896 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 607 | 9 | 0 | 2 | 8.3 | CC(Oc1cccc(c1)CC(=O)N1CCCC(C1)(CC[N+]1(C)CCC(CC1)c1ccccc1)c1ccc(c(c1)Cl)Cl)C | 11937780 | ||
| 2132 | 10516 | 58 | None | -97 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 382 | 5 | 2 | 3 | 5.5 | CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 | 9190866 | ||
| 5311424 | 10516 | 58 | None | -97 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 382 | 5 | 2 | 3 | 5.5 | CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 | 9190866 | ||
| CHEMBL10188 | 10516 | 58 | None | -97 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 382 | 5 | 2 | 3 | 5.5 | CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 | 9190866 | ||
| 2110 | 9743 | 38 | None | -138 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 605 | 8 | 0 | 3 | 7.4 | O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 | 12206858 | ||
| 2110 | 9743 | 38 | None | -138 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 605 | 8 | 0 | 3 | 7.4 | O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 | 9190866 | ||
| 219077 | 9743 | 38 | None | -138 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 605 | 8 | 0 | 3 | 7.4 | O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 | 12206858 | ||
| 219077 | 9743 | 38 | None | -138 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 605 | 8 | 0 | 3 | 7.4 | O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 | 9190866 | ||
| 3480 | 9743 | 38 | None | -138 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 605 | 8 | 0 | 3 | 7.4 | O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 | 12206858 | ||
| 3480 | 9743 | 38 | None | -138 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 605 | 8 | 0 | 3 | 7.4 | O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 | 9190866 | ||
| CHEMBL346178 | 9743 | 38 | None | -138 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 605 | 8 | 0 | 3 | 7.4 | O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 | 12206858 | ||
| CHEMBL346178 | 9743 | 38 | None | -138 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 605 | 8 | 0 | 3 | 7.4 | O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 | 9190866 | ||
| DB04872 | 9743 | 38 | None | -138 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 605 | 8 | 0 | 3 | 7.4 | O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 | 12206858 | ||
| DB04872 | 9743 | 38 | None | -138 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 605 | 8 | 0 | 3 | 7.4 | O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 | 9190866 | ||
| 124003 | 9264 | 22 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | None | None | None | None | 7682062 | ||||
| 2116 | 9264 | 22 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | None | None | None | None | 7682062 | ||||
| CHEMBL507824 | 9264 | 22 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | None | None | None | None | 7682062 | ||||
| 2089 | 9542 | 28 | None | 102 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 11137709 | ||||
| 2089 | 9542 | 28 | None | 102 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 11786503 | ||||
| 2089 | 9542 | 28 | None | 102 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 7682062 | ||||
| 2089 | 9542 | 28 | None | 102 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 9190866 | ||||
| 3795 | 9542 | 28 | None | 102 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 11137709 | ||||
| 3795 | 9542 | 28 | None | 102 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 11786503 | ||||
| 3795 | 9542 | 28 | None | 102 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 7682062 | ||||
| 3795 | 9542 | 28 | None | 102 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 9190866 | ||||
| 5311311 | 9542 | 28 | None | 102 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 11137709 | ||||
| 5311311 | 9542 | 28 | None | 102 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 11786503 | ||||
| 5311311 | 9542 | 28 | None | 102 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 7682062 | ||||
| 5311311 | 9542 | 28 | None | 102 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 9190866 | ||||
| CHEMBL217406 | 9542 | 28 | None | 102 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 11137709 | ||||
| CHEMBL217406 | 9542 | 28 | None | 102 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 11786503 | ||||
| CHEMBL217406 | 9542 | 28 | None | 102 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 7682062 | ||||
| CHEMBL217406 | 9542 | 28 | None | 102 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 9190866 | ||||
| 2123 | 9540 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 16979621 | ||||
| 2123 | 9540 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 9484857 | ||||
| 3086682 | 9540 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 16979621 | ||||
| 3086682 | 9540 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 9484857 | ||||
| 2120 | 10893 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 639 | 10 | 1 | 6 | 5.9 | COc1cc(cc(c1OC)OC)C(=O)N(CC(c1ccc(c(c1)Cl)Cl)CCN1CCC2(CC1)NC(=O)Cc1c2cccc1)C | 11937780 | ||
| 9852373 | 10893 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 639 | 10 | 1 | 6 | 5.9 | COc1cc(cc(c1OC)OC)C(=O)N(CC(c1ccc(c(c1)Cl)Cl)CCN1CCC2(CC1)NC(=O)Cc1c2cccc1)C | 11937780 | ||
| 5778 | 10922 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 516 | 8 | 1 | 3 | 5.1 | O=C1NCCCN1C1CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C | 22149761 | ||
| 9871234 | 10922 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 516 | 8 | 1 | 3 | 5.1 | O=C1NCCCN1C1CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C | 22149761 | ||
| 5769 | 10297 | 5 | None | 194 | 2 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 512 | 6 | 1 | 4 | 6.5 | O=C(c1c(CN2CCC(CC2)N2CCCCC2)c(nc2c1cccc2)c1ccccc1)N[C@H](C(C)(C)C)C | 11356103 | ||
| 9806459 | 10297 | 5 | None | 194 | 2 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 512 | 6 | 1 | 4 | 6.5 | O=C(c1c(CN2CCC(CC2)N2CCCCC2)c(nc2c1cccc2)c1ccccc1)N[C@H](C(C)(C)C)C | 11356103 | ||
| CHEMBL295770 | 10297 | 5 | None | 194 | 2 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 512 | 6 | 1 | 4 | 6.5 | O=C(c1c(CN2CCC(CC2)N2CCCCC2)c(nc2c1cccc2)c1ccccc1)N[C@H](C(C)(C)C)C | 11356103 | ||
| 3901 | 9265 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 11063600 | ||||
| 5311274 | 9265 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 11063600 | ||||
| 104974 | 10248 | 31 | None | -7 | 7 | Rat | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 1313515 | ||
| 2111 | 10248 | 31 | None | -7 | 7 | Rat | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 1313515 | ||
| 3481 | 10248 | 31 | None | -7 | 7 | Rat | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 1313515 | ||
| CHEMBL308148 | 10248 | 31 | None | -7 | 7 | Rat | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 1313515 | ||
| DB06660 | 10248 | 31 | None | -7 | 7 | Rat | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 1313515 | ||
| 104974 | 10248 | 31 | None | 1 | 7 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 12206858 | ||
| 104974 | 10248 | 31 | None | 1 | 7 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 7682062 | ||
| 104974 | 10248 | 31 | None | 1 | 7 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 9190866 | ||
| 2111 | 10248 | 31 | None | 1 | 7 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 12206858 | ||
| 2111 | 10248 | 31 | None | 1 | 7 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 7682062 | ||
| 2111 | 10248 | 31 | None | 1 | 7 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 9190866 | ||
| 3481 | 10248 | 31 | None | 1 | 7 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 12206858 | ||
| 3481 | 10248 | 31 | None | 1 | 7 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 7682062 | ||
| 3481 | 10248 | 31 | None | 1 | 7 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 9190866 | ||
| CHEMBL308148 | 10248 | 31 | None | 1 | 7 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 12206858 | ||
| CHEMBL308148 | 10248 | 31 | None | 1 | 7 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 7682062 | ||
| CHEMBL308148 | 10248 | 31 | None | 1 | 7 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 9190866 | ||
| DB06660 | 10248 | 31 | None | 1 | 7 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 12206858 | ||
| DB06660 | 10248 | 31 | None | 1 | 7 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 7682062 | ||
| DB06660 | 10248 | 31 | None | 1 | 7 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 551 | 9 | 1 | 3 | 6.4 | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 | 9190866 | ||
| 3882 | 8638 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | Guide to Pharmacology | None | None | None | None | 8027981 | ||||
| 6324620 | 8638 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | Guide to Pharmacology | None | None | None | None | 8027981 | ||||
| 10483085 | 10894 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | Guide to Pharmacology | 567 | 7 | 1 | 3 | 6.0 | O=C1Cc2ccccc2C2(N1)CCN(CC2)CCC(c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccc(cc1)F)C | 11937780 | ||
| 2121 | 10894 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | Guide to Pharmacology | 567 | 7 | 1 | 3 | 6.0 | O=C1Cc2ccccc2C2(N1)CCN(CC2)CCC(c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccc(cc1)F)C | 11937780 | ||
| 11527495 | 8749 | 19 | None | - | 1 | Human | 10.1 | pKi | None | 10.1 | Binding | Guide to Pharmacology | 644 | 11 | 3 | 6 | 5.2 | O=C([C@H](NC(=O)C1(CCCC1)NC(=O)c1cc2c(s1)cc(cc2)C)Cc1ccccc1)NCC1CCN(CC1)CC1CCOCC1 | 16979621 | ||
| 2117 | 8749 | 19 | None | - | 1 | Human | 10.1 | pKi | None | 10.1 | Binding | Guide to Pharmacology | 644 | 11 | 3 | 6 | 5.2 | O=C([C@H](NC(=O)C1(CCCC1)NC(=O)c1cc2c(s1)cc(cc2)C)Cc1ccccc1)NCC1CCN(CC1)CC1CCOCC1 | 16979621 | ||
| CHEMBL266125 | 8749 | 19 | None | - | 1 | Human | 10.1 | pKi | None | 10.1 | Binding | Guide to Pharmacology | 644 | 11 | 3 | 6 | 5.2 | O=C([C@H](NC(=O)C1(CCCC1)NC(=O)c1cc2c(s1)cc(cc2)C)Cc1ccccc1)NCC1CCN(CC1)CC1CCOCC1 | 16979621 | ||
| DB12042 | 8749 | 19 | None | - | 1 | Human | 10.1 | pKi | None | 10.1 | Binding | Guide to Pharmacology | 644 | 11 | 3 | 6 | 5.2 | O=C([C@H](NC(=O)C1(CCCC1)NC(=O)c1cc2c(s1)cc(cc2)C)Cc1ccccc1)NCC1CCN(CC1)CC1CCOCC1 | 16979621 | ||
| 2090 | 9543 | 25 | None | -38 | 4 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 7682062 | ||||
| 2090 | 9543 | 25 | None | -38 | 4 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9190866 | ||||
| 5311312 | 9543 | 25 | None | -38 | 4 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 7682062 | ||||
| 5311312 | 9543 | 25 | None | -38 | 4 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9190866 | ||||
| CHEMBL437797 | 9543 | 25 | None | -38 | 4 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 7682062 | ||||
| CHEMBL437797 | 9543 | 25 | None | -38 | 4 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9190866 | ||||
| 2098 | 10466 | 36 | None | -457 | 6 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 11786503 | ||||
| 2098 | 10466 | 36 | None | -457 | 6 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 7682062 | ||||
| 2098 | 10466 | 36 | None | -457 | 6 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9190866 | ||||
| 36511 | 10466 | 36 | None | -457 | 6 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 11786503 | ||||
| 36511 | 10466 | 36 | None | -457 | 6 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 7682062 | ||||
| 36511 | 10466 | 36 | None | -457 | 6 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9190866 | ||||
| 3805 | 10466 | 36 | None | -457 | 6 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 11786503 | ||||
| 3805 | 10466 | 36 | None | -457 | 6 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 7682062 | ||||
| 3805 | 10466 | 36 | None | -457 | 6 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9190866 | ||||
| 3835 | 10466 | 36 | None | -457 | 6 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 11786503 | ||||
| 3835 | 10466 | 36 | None | -457 | 6 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 7682062 | ||||
| 3835 | 10466 | 36 | None | -457 | 6 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9190866 | ||||
| CHEMBL235363 | 10466 | 36 | None | -457 | 6 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 11786503 | ||||
| CHEMBL235363 | 10466 | 36 | None | -457 | 6 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 7682062 | ||||
| CHEMBL235363 | 10466 | 36 | None | -457 | 6 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9190866 | ||||
| 2113 | 9868 | 0 | None | -199 | 3 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | None | None | None | None | 9190866 | ||||
| 2106 | 10319 | 4 | None | -1 | 3 | Human | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | 711 | 12 | 1 | 6 | 6.4 | CO/N=C(/[C@@H](c1ccc(c(c1)Cl)Cl)CCN1CCC(CC1)N1CCC[C@@H](C1=O)CC(=O)NC)\CN(C(=O)c1cc(Cl)cc(c1)Cl)C | 12206858 | ||
| 9875034 | 10319 | 4 | None | -1 | 3 | Human | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | 711 | 12 | 1 | 6 | 6.4 | CO/N=C(/[C@@H](c1ccc(c(c1)Cl)Cl)CCN1CCC(CC1)N1CCC[C@@H](C1=O)CC(=O)NC)\CN(C(=O)c1cc(Cl)cc(c1)Cl)C | 12206858 | ||
| CHEMBL77023 | 10319 | 4 | None | -1 | 3 | Human | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | 711 | 12 | 1 | 6 | 6.4 | CO/N=C(/[C@@H](c1ccc(c(c1)Cl)Cl)CCN1CCC(CC1)N1CCC[C@@H](C1=O)CC(=O)NC)\CN(C(=O)c1cc(Cl)cc(c1)Cl)C | 12206858 | ||