Ligand source activities (1 row/activity)
| Ligands (move mouse cursor over ligand name to see structure) | Receptor | Assay information | Chemical information | ||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sel. page | Common name |
GPCRdb ID |
#Vendors |
Reference ligand |
Fold selectivity |
# Tested GPCRs |
Species |
p-value (-log) |
Activity Type |
Activity Relation |
Activity Value |
AssayType |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
| 15931130 | 101981 | 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 | 101981 | 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 | 102044 | 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 | 102044 | 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 | 2766 | 28 | None | -3 | 8 | Rat | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm900671k | ||||
| 3795 | 2766 | 28 | None | -3 | 8 | Rat | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm900671k | ||||
| 5311311 | 2766 | 28 | None | -3 | 8 | Rat | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm900671k | ||||
| CHEMBL217406 | 2766 | 28 | None | -3 | 8 | Rat | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm900671k | ||||
| 2098 | 3694 | 36 | None | -63 | 11 | Rat | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00169a003 | ||||
| 36511 | 3694 | 36 | None | -63 | 11 | Rat | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00169a003 | ||||
| 3805 | 3694 | 36 | None | -63 | 11 | Rat | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00169a003 | ||||
| 3835 | 3694 | 36 | None | -63 | 11 | Rat | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00169a003 | ||||
| CHEMBL235363 | 3694 | 36 | None | -63 | 11 | Rat | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00169a003 | ||||
| 44355179 | 24348 | 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 | 24348 | 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 | 2766 | 28 | None | -3 | 8 | Rat | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00100a027 | ||||
| 3795 | 2766 | 28 | None | -3 | 8 | Rat | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00100a027 | ||||
| 5311311 | 2766 | 28 | None | -3 | 8 | Rat | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00100a027 | ||||
| CHEMBL217406 | 2766 | 28 | None | -3 | 8 | Rat | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00100a027 | ||||
| 73356363 | 89504 | 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 | 89504 | 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 | 96425 | 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 | 96425 | 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 | 116736 | 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 | 116736 | 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 | 157137 | 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 | 157137 | 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 | 23489 | 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 | 23489 | 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 | 24263 | 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 | 24263 | 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 | 3694 | 36 | None | -63 | 11 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00100a027 | ||||
| 36511 | 3694 | 36 | None | -63 | 11 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00100a027 | ||||
| 3805 | 3694 | 36 | None | -63 | 11 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00100a027 | ||||
| 3835 | 3694 | 36 | None | -63 | 11 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00100a027 | ||||
| CHEMBL235363 | 3694 | 36 | None | -63 | 11 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00100a027 | ||||
| 2098 | 3694 | 36 | None | -63 | 11 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00169a003 | ||||
| 36511 | 3694 | 36 | None | -63 | 11 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00169a003 | ||||
| 3805 | 3694 | 36 | None | -63 | 11 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00169a003 | ||||
| 3835 | 3694 | 36 | None | -63 | 11 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00169a003 | ||||
| CHEMBL235363 | 3694 | 36 | None | -63 | 11 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00169a003 | ||||
| 73348740 | 89506 | 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 | 89506 | 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 | 100620 | 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 | 100620 | 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 | 116657 | 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 | 116657 | 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 | 2767 | 25 | None | -6 | 9 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00100a027 | ||||
| 5311312 | 2767 | 25 | None | -6 | 9 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00100a027 | ||||
| CHEMBL437797 | 2767 | 25 | None | -6 | 9 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00100a027 | ||||
| CHEMBL335054 | 211480 | 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 | 21723 | 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 | 21723 | 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 | 208729 | 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 | 97124 | 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 | 97124 | 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 | 117161 | 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 | 117161 | 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 | 21788 | 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 | 21788 | 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 | 101709 | 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 | 101709 | 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 | 25641 | 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 | 25641 | 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 | 2766 | 28 | None | -3 | 8 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm900671k | ||||
| 3795 | 2766 | 28 | None | -3 | 8 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm900671k | ||||
| 5311311 | 2766 | 28 | None | -3 | 8 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm900671k | ||||
| CHEMBL217406 | 2766 | 28 | None | -3 | 8 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm900671k | ||||
| 15931129 | 194978 | 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 | 194978 | 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 | 99007 | 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 | 99007 | 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 | 96424 | 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 | 96424 | 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 | 115509 | 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 | 115509 | 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 | 162590 | 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 | 162590 | 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 | 162385 | 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 | 162385 | 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 | 207605 | 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 | 207605 | 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 | 162093 | 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 | 162093 | 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 | 213021 | 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 | 162255 | 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 | 162255 | 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 | 2766 | 28 | None | -3 | 8 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1016/S0960-894X(97)00088-7 | ||||
| 3795 | 2766 | 28 | None | -3 | 8 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1016/S0960-894X(97)00088-7 | ||||
| 5311311 | 2766 | 28 | None | -3 | 8 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1016/S0960-894X(97)00088-7 | ||||
| CHEMBL217406 | 2766 | 28 | None | -3 | 8 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1016/S0960-894X(97)00088-7 | ||||
| CHEMBL264972 | 210633 | 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 | 112668 | 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 | 112668 | 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 | 112668 | 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 | 168375 | 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 | 168375 | 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 | 6771 | 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 | 6771 | 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 | 130173 | 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 | 130173 | 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 | 168310 | 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 | 168310 | 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 | 122543 | 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 | 122543 | 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 | 114835 | 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 | 114835 | 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 | 78898 | 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 | 78898 | 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 | 65219 | 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 | 65219 | 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 | 78895 | 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 | 78895 | 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 | 168168 | 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 | 168168 | 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 | 54793 | 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 | 54793 | 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 | 78896 | 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 | 78896 | 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 | 66402 | 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 | 66402 | 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 | 66709 | 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 | 66709 | 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 | 66331 | 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 | 66331 | 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 | 122128 | 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 | 122128 | 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 | 127059 | 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 | 127059 | 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 | 127059 | 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 | 127059 | 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 | 66355 | 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 | 66355 | 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 | 15268 | 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 | 15268 | 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 | 122946 | 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 | 122946 | 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 | 129654 | 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 | 129654 | 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 | 181626 | 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 | 181626 | 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 | 4218 | 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 | 4218 | 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 | 169264 | 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 | 169264 | 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 | 49123 | 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 | 49123 | 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 | 203691 | 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 | 203691 | 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 | 141523 | 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 | 141523 | 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 | 106733 | 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 | 106733 | 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 | 106757 | 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 | 106757 | 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 | 213085 | 0 | None | - | 0 | Golden hamster | 4.0 | pKd | = | 4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00014a022 | ||||
| CHEMBL217365 | 209374 | 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 | 210543 | 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 | 210600 | 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 | 211322 | 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 | 213010 | 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 | 213085 | 0 | None | - | 0 | Rabbit | 4.0 | pKd | = | 4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00014a022 | ||||
| 44346487 | 114130 | 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 | 114130 | 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 | 168169 | 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 | 168169 | 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 | 212610 | 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 | 164178 | 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 | 164178 | 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 | 209344 | 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 | 114495 | 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 | 114495 | 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 | 212654 | 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 | 201473 | 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 | 201473 | 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 | 15454 | 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 | 15454 | 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 | 212357 | 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 | 102114 | 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 | 102114 | 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 | 106748 | 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 | 106748 | 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 | 212975 | 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 | 106753 | 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 | 106753 | 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 | 106749 | 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 | 106749 | 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 | 106754 | 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 | 106754 | 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 | 114253 | 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 | 114253 | 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 | 166384 | 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 | 166384 | 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 | 210588 | 0 | None | - | 0 | Rabbit | 4.9 | pKd | = | 4.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00014a022 | ||||
| CHEMBL385914 | 212369 | 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 | 213832 | 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 | 210720 | 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 | 211322 | 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 | 212407 | 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 | 164188 | 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 | 164188 | 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 | 210720 | 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 | 211322 | 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 | 114835 | 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 | 114835 | 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 | 203517 | 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 | 203517 | 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 | 164178 | 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 | 164178 | 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 | 213832 | 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 | 209374 | 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 | 102360 | 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 | 102360 | 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 | 213522 | 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 | 213831 | 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 | 106747 | 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 | 106747 | 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 | 106752 | 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 | 106752 | 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 | 106755 | 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 | 106755 | 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 | 212357 | 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 | 213832 | 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 | 210759 | 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 | 210759 | 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 | 213010 | 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 | 210588 | 0 | None | - | 0 | Golden hamster | 4.8 | pKd | = | 4.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00014a022 | ||||
| 44347002 | 112834 | 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 | 112834 | 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 | 213788 | 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 | 203771 | 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 | 203771 | 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 | 213010 | 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 | 210601 | 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 | 213881 | 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 | 213788 | 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 | 68367 | 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 | 68367 | 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 | 51032 | 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 | 51032 | 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 | 106756 | 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 | 106756 | 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 | 2272 | 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 | 2272 | 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 | 2272 | 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 | 120134 | 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 | 120134 | 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 | 120218 | 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 | 120218 | 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 | 106731 | 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 | 106731 | 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 | 113184 | 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 | 113184 | 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 | 52731 | 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 | 52731 | 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 | 122334 | 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 | 122334 | 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 | 213522 | 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 | 210601 | 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 | 15454 | 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 | 15454 | 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 | 211399 | 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 | 210600 | 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 | 102751 | 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 | 102751 | 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 | 213522 | 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 | 209374 | 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 | 210686 | 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 | 213031 | 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 | 212975 | 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 | 212369 | 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 | 78899 | 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 | 78899 | 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 | 119595 | 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 | 119595 | 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 | 66684 | 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 | 66684 | 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 | 114495 | 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 | 114495 | 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 | 49059 | 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 | 49059 | 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 | 4219 | 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 | 4219 | 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 | 52895 | 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 | 52895 | 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 | 119491 | 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 | 119491 | 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 | 213031 | 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 | 114123 | 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 | 114123 | 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 | 164188 | 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 | 164188 | 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 | 9173 | 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 | 9173 | 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 | 210600 | 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 | 163019 | 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 | 163019 | 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 | 209344 | 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 | 210720 | 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 | 212654 | 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 | 212369 | 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 | 168168 | 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 | 168168 | 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 | 210686 | 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 | 212407 | 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 | 102596 | 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 | 102596 | 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 | 198675 | 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 | 198675 | 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 | 203635 | 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 | 203635 | 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 | 101473 | 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 | 101473 | 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 | 166384 | 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 | 166384 | 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 | 212610 | 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 | 210543 | 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 | 15268 | 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 | 15268 | 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 | 213031 | 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 | 210588 | 0 | None | - | 0 | Rat | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00014a022 | ||||
| CHEMBL441181 | 213881 | 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 | 168500 | 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 | 168500 | 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 | 51561 | 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 | 51561 | 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 | 103780 | 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 | 103780 | 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 | 203486 | 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 | 203486 | 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 | 203536 | 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 | 203536 | 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 | 203556 | 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 | 203556 | 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 | 203575 | 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 | 203575 | 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 | 203787 | 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 | 203787 | 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 | 55386 | 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 | 55386 | 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 | 113184 | 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 | 113184 | 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 | 5010 | 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 | 5010 | 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 | 210686 | 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 | 211293 | 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 | 211399 | 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 | 54849 | 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 | 54849 | 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 | 78897 | 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 | 78897 | 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 | 63553 | 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 | 63553 | 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 | 114253 | 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 | 114253 | 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 | 171343 | 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 | 171343 | 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 | 68366 | 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 | 68366 | 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 | 169194 | 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 | 169194 | 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 | 169194 | 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 | 213788 | 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 | 209344 | 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 | 2237 | 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 | 2237 | 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 | 2237 | 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 | 212654 | 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 | 210601 | 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 | 213881 | 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 | 114130 | 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 | 114130 | 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 | 168169 | 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 | 168169 | 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 | 120063 | 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 | 120063 | 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 | 211293 | 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 | 212357 | 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 | 112834 | 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 | 112834 | 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 | 141523 | 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 | 141523 | 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 | 212610 | 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 | 212407 | 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 | 211293 | 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 | 212975 | 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 | 213085 | 0 | None | - | 0 | Rat | 5.0 | pKd | = | 5.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00014a022 | ||||
| 44434204 | 153568 | 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 | 153568 | 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 | 166681 | 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 | 166681 | 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 | 89402 | 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 | 89402 | 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 | 149226 | 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 | 149226 | 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 | 89439 | 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 | 89439 | 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 | 149227 | 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 | 149227 | 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 | 149836 | 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 | 149836 | 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 | 152170 | 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 | 152170 | 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 | 92234 | 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 | 92234 | 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 | 149823 | 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 | 149823 | 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 | 1854 | 0 | None | - | 1 | Rat | 8.4 | pEC50 | = | 8.4 | Functional | Guide to Pharmacology | None | None | None | None | 1331460 | ||||
| 2091 | 2795 | 0 | None | 223 | 2 | Guinea pig | 8.8 | pEC50 | = | 8.8 | Functional | Guide to Pharmacology | None | None | None | None | 1311427 | ||||
| 2089 | 2766 | 28 | None | -1 | 8 | Guinea pig | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | None | None | None | None | 2426129 | ||||
| 3795 | 2766 | 28 | None | -1 | 8 | Guinea pig | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | None | None | None | None | 2426129 | ||||
| 5311311 | 2766 | 28 | None | -1 | 8 | Guinea pig | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | None | None | None | None | 2426129 | ||||
| CHEMBL217406 | 2766 | 28 | None | -1 | 8 | Guinea pig | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | None | None | None | None | 2426129 | ||||
| 16132172 | 2792 | 0 | None | - | 1 | Guinea pig | 9.5 | pEC50 | = | 9.5 | Functional | Guide to Pharmacology | None | None | None | None | 1311427 | ||||
| 3667 | 2792 | 0 | None | - | 1 | Guinea pig | 9.5 | pEC50 | = | 9.5 | Functional | Guide to Pharmacology | None | None | None | None | 1311427 | ||||
| 30699 | 217704 | 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 | 3475 | 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 | 3475 | 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 | 3475 | 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 | 3475 | 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 | 3475 | 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 | 2437 | 0 | None | - | 1 | Rat | 9.1 | pIC50 | = | 9.1 | Functional | Guide to Pharmacology | None | None | None | None | 9718274 | ||||
| Ligands (move mouse cursor over ligand name to see structure) | Receptor | Assay information | Chemical information | |||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sel. page | Similar- ity |
Common name |
GPCRdb ID |
#Vendors |
Reference ligand |
Fold selectivity |
# Tested GPCRs |
Species |
p-value (-log) |
Activity Type |
Activity Relation |
Activity Value |
Assay Type |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
| 1024 | 1289 | 71 | None | - | 1 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | |||||
| 162639143 | 1289 | 71 | None | - | 1 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | |||||
| 5284373 | 1289 | 71 | None | - | 1 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | |||||
| 760 | 1289 | 71 | None | - | 1 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | |||||
| CHEMBL160 | 1289 | 71 | None | - | 1 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | |||||
| DB00091 | 1289 | 71 | None | - | 1 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | |||||
| CHEMBL3039583 | 210949 | 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 | 2486 | 22 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | None | None | None | None | 10.1021/np058114h | |||||
| 2116 | 2486 | 22 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | None | None | None | None | 10.1021/np058114h | |||||
| CHEMBL507824 | 2486 | 22 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | None | None | None | None | 10.1021/np058114h | |||||
| CHEMBL334721 | 211399 | 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 | 3475 | 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 | 3475 | 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 | 3475 | 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 | 3475 | 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 | 3475 | 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 | 124793 | 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 | 124793 | 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 | 124794 | 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 | 124794 | 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 | 124796 | 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 | 124796 | 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 | 124789 | 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 | 124789 | 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 | 124797 | 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 | 124797 | 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 | 124791 | 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 | 124791 | 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 | 124787 | 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 | 124787 | 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 | 124795 | 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 | 124795 | 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 | 124798 | 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 | 124798 | 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 | 65219 | 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 | 65219 | 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 | 124790 | 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 | 124790 | 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 | 3475 | 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 | 3475 | 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 | 3475 | 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 | 3475 | 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 | 3475 | 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 | 124780 | 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 | 124780 | 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 | 160429 | 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 | 160429 | 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 | 124788 | 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 | 124788 | 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 | 124786 | 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 | 124786 | 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 | 66709 | 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 | 66709 | 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 | 3475 | 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 | 3475 | 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 | 3475 | 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 | 3475 | 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 | 3475 | 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 | 124792 | 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 | 124792 | 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 | 2766 | 28 | None | - | 5 | Golden hamster | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00099a024 | |||||
| 3795 | 2766 | 28 | None | - | 5 | Golden hamster | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00099a024 | |||||
| 5311311 | 2766 | 28 | None | - | 5 | Golden hamster | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00099a024 | |||||
| CHEMBL217406 | 2766 | 28 | None | - | 5 | Golden hamster | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00099a024 | |||||
| 10033398 | 117292 | 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 | 117292 | 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 | 168310 | 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 | 168310 | 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 | 124783 | 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 | 124783 | 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 | 161567 | 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 | 161567 | 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 | 66402 | 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 | 66402 | 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 | 168375 | 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 | 168375 | 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 | 2766 | 28 | None | 102 | 5 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | |||||
| 3795 | 2766 | 28 | None | 102 | 5 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | |||||
| 5311311 | 2766 | 28 | None | 102 | 5 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | |||||
| CHEMBL217406 | 2766 | 28 | None | 102 | 5 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | |||||
| 71699791 | 124784 | 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 | 124784 | 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 | 18091 | 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 | 18091 | 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 | 122334 | 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 | 122334 | 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 | 13704 | 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 | 13704 | 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 | 13704 | 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 | 126445 | 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 | 126445 | 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 | 158619 | 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 | 158619 | 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 | 78303 | 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 | 78303 | 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 | 4779 | 101 | None | -28 | 34 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | |||
| CHEMBL104 | 4779 | 101 | None | -28 | 34 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | |||
| 2090 | 2767 | 25 | None | -38 | 4 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | |||||
| 5311312 | 2767 | 25 | None | -38 | 4 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | |||||
| CHEMBL437797 | 2767 | 25 | None | -38 | 4 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | |||||
| 10010429 | 19042 | 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 | 19042 | 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 | 15333 | 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 | 15333 | 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 | 208458 | 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 | 202887 | 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 | 202887 | 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 | 118177 | 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 | 118177 | 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 | 169904 | 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 | 169904 | 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 | 168027 | 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 | 168027 | 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 | 210269 | 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 | 120799 | 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 | 120799 | 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 | 118338 | 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 | 118338 | 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 | 126446 | 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 | 126446 | 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 | 59947 | 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 | 59947 | 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 | 106143 | 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 | 106143 | 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 | 126447 | 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 | 126447 | 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 | 210268 | 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 | 79684 | 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 | 79684 | 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 | 78542 | 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 | 78542 | 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 | 204061 | 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 | 204061 | 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 | 106755 | 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 | 106755 | 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 | 129774 | 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 | 129774 | 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 | 57578 | 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 | 57578 | 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 | 210265 | 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 | 157937 | 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 | 157937 | 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 | 211639 | 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 | 213960 | 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 | 204684 | 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 | 204684 | 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 | 102381 | 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 | 102381 | 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 | 161509 | 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 | 161509 | 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 | 204723 | 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 | 204723 | 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 | 106749 | 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 | 106749 | 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 | 168296 | 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 | 168296 | 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 | 19077 | 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 | 19077 | 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 | 3694 | 36 | None | - | 6 | Golden hamster | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00099a024 | |||||
| 36511 | 3694 | 36 | None | - | 6 | Golden hamster | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00099a024 | |||||
| 3805 | 3694 | 36 | None | - | 6 | Golden hamster | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00099a024 | |||||
| 3835 | 3694 | 36 | None | - | 6 | Golden hamster | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00099a024 | |||||
| CHEMBL235363 | 3694 | 36 | None | - | 6 | Golden hamster | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00099a024 | |||||
| 11038500 | 63553 | 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 | 63553 | 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 | 66331 | 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 | 66331 | 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 | 179058 | 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 | 179058 | 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 | 179058 | 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 | 179058 | 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 | 207099 | 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 | 207099 | 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 | 207099 | 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 | 106547 | 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 | 106547 | 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 | 107097 | 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 | 107097 | 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 | 61287 | 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 | 61287 | 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 | 210828 | 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 | 195486 | 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 | 195486 | 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 | 195486 | 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 | 15611 | 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 | 15611 | 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 | 210977 | 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 | 78575 | 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 | 78575 | 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 | 19397 | 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 | 19397 | 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 | 211636 | 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 | 204140 | 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 | 204140 | 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 | 176149 | 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 | 176149 | 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 | 176149 | 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 | 176149 | 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 | 202966 | 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 | 202966 | 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 | 4934 | 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 | 4934 | 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 | 106749 | 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 | 106749 | 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 | 107105 | 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 | 107105 | 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 | 11981 | 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 | 11981 | 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 | 11981 | 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 | 11981 | 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 | 11981 | 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 | 212621 | 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 | 50221 | 42 | None | -36 | 10 | 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 | 50221 | 42 | None | -36 | 10 | 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 | 50221 | 42 | None | -36 | 10 | 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 | 94373 | 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 | 94373 | 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 | 71118 | 80 | None | -2 | 10 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 206 | 7 | 1 | 1 | 4.3 | CCCCCCCCc1ccc(O)cc1 | nan | |||
| CHEMBL195437 | 71118 | 80 | None | -2 | 10 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 206 | 7 | 1 | 1 | 4.3 | CCCCCCCCc1ccc(O)cc1 | nan | |||
| 10258592 | 99207 | 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 | 99207 | 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 | 2767 | 25 | None | - | 4 | Golden hamster | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00099a024 | |||||
| 5311312 | 2767 | 25 | None | - | 4 | Golden hamster | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00099a024 | |||||
| CHEMBL437797 | 2767 | 25 | None | - | 4 | Golden hamster | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00099a024 | |||||
| 15391369 | 102828 | 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 | 102828 | 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 | 15331 | 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 | 15331 | 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 | 205704 | 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 | 205704 | 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 | 210270 | 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 | 78577 | 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 | 78577 | 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 | 106731 | 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 | 106731 | 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 | 61354 | 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 | 61354 | 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 | 5054 | 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 | 5054 | 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 | 205844 | 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 | 205844 | 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 | 213194 | 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 | 11848 | 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 | 11848 | 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 | 11848 | 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 | 11848 | 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 | 18919 | 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 | 18919 | 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 | 398 | 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 | 398 | 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 | 398 | 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 | 398 | 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 | 398 | 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 | 102858 | 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 | 102858 | 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 | 211921 | 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 | 126444 | 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 | 126444 | 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 | 124782 | 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 | 124782 | 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 | 13089 | 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 | 13089 | 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 | 13089 | 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 | 13712 | 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 | 13712 | 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 | 13712 | 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 | 99102 | 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 | 99102 | 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 | 124785 | 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 | 124785 | 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 | 132756 | 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 | 132756 | 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 | 124781 | 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 | 124781 | 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 | 126449 | 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 | 126449 | 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 | 57519 | 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 | 57519 | 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 | 210411 | 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 | 99131 | 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 | 99131 | 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 | 66355 | 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 | 66355 | 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 | 3694 | 36 | None | - | 6 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00037a009 | |||||
| 36511 | 3694 | 36 | None | - | 6 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00037a009 | |||||
| 3805 | 3694 | 36 | None | - | 6 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00037a009 | |||||
| 3835 | 3694 | 36 | None | - | 6 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00037a009 | |||||
| CHEMBL235363 | 3694 | 36 | None | - | 6 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00037a009 | |||||
| 44335410 | 5000 | 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 | 5000 | 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 | 97190 | 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 | 97190 | 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 | 205704 | 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 | 205704 | 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 | 204428 | 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 | 204428 | 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 | 125747 | 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 | 125747 | 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 | 204716 | 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 | 204716 | 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 | 200793 | 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 | 200793 | 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 | 1662 | 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 | 1662 | 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 | 1662 | 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 | 1662 | 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 | 1662 | 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 | 107007 | 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 | 107007 | 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 | 4987 | 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 | 4987 | 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 | 107347 | 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 | 107347 | 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 | 4987 | 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 | 4987 | 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 | 102910 | 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 | 102910 | 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 | 188887 | 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 | 188887 | 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 | 3587 | 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 | 3587 | 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 | 3587 | 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 | 3587 | 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 | 106733 | 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 | 106733 | 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 | 3694 | 36 | None | -457 | 6 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | |||||
| 36511 | 3694 | 36 | None | -457 | 6 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | |||||
| 3805 | 3694 | 36 | None | -457 | 6 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | |||||
| 3835 | 3694 | 36 | None | -457 | 6 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | |||||
| CHEMBL235363 | 3694 | 36 | None | -457 | 6 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | |||||
| 44379971 | 58753 | 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 | 58753 | 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 | 102852 | 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 | 102852 | 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 | 4545 | 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 | 4545 | 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 | 175565 | 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 | 175565 | 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 | 56312 | 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 | 56312 | 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 | 40039 | 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 | 40039 | 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 | 3779 | 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 | 3779 | 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 | 3779 | 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 | 3779 | 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 | 3779 | 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 | 204649 | 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 | 204649 | 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 | 209233 | 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 | 919 | 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 | 919 | 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 | 919 | 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 | 919 | 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 | 919 | 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 | 116625 | 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 | 116625 | 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 | 206072 | 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 | 206072 | 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 | 100424 | 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 | 100424 | 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 | 79519 | 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 | 79519 | 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 | 189660 | 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 | 189660 | 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 | 188625 | 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 | 188625 | 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 | 209267 | 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 | 209684 | 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 | 198864 | 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 | 198864 | 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 | 505 | 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 | 505 | 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 | 505 | 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 | 505 | 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 | 505 | 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 | 79697 | 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 | 79697 | 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 | 107076 | 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 | 107076 | 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 | 130173 | 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 | 130173 | 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 | 138532 | 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 | 138532 | 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 | 210411 | 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 | 156596 | 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 | 156596 | 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 | 2767 | 25 | None | - | 4 | Golden hamster | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm950892r | |||||
| 5311312 | 2767 | 25 | None | - | 4 | Golden hamster | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm950892r | |||||
| CHEMBL437797 | 2767 | 25 | None | - | 4 | Golden hamster | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm950892r | |||||
| 44319308 | 106378 | 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 | 106378 | 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 | 97230 | 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 | 97230 | 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 | 127059 | 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 | 127059 | 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 | 202813 | 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 | 202813 | 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 | 202813 | 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 | 202813 | 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 | 213626 | 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 | 79591 | 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 | 79591 | 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 | 174808 | 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 | 174808 | 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 | 17986 | 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 | 17986 | 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 | 17986 | 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 | 100748 | 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 | 100748 | 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 | 211099 | 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 | 59988 | 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 | 59988 | 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 | 208454 | 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 | 169160 | 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 | 169160 | 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 | 212608 | 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 | 3747 | 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 | 3747 | 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 | 3747 | 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 | 3747 | 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 | 3747 | 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 | 3747 | 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 | 208460 | 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 | 209266 | 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 | 2592 | 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 | 2592 | 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 | 2592 | 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 | 2592 | 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 | 2592 | 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 | 106755 | 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 | 106755 | 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 | 98277 | 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 | 98277 | 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 | 209341 | 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 | 2237 | 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 | 2237 | 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 | 2237 | 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 | 3286 | 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 | 3286 | 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 | 3286 | 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 | 3286 | 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 | 3286 | 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 | 61363 | 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 | 61363 | 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 | 13697 | 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 | 13697 | 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 | 13697 | 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 | 2496 | 52 | None | -165 | 42 | 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 | 2496 | 52 | None | -165 | 42 | 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 | 2496 | 52 | None | -165 | 42 | 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 | 2496 | 52 | None | -165 | 42 | 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 | 2496 | 52 | None | -165 | 42 | 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 | 212549 | 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 | 15330 | 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 | 15330 | 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 | 1289 | 71 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | None | None | None | None | nan | |||||
| 162639143 | 1289 | 71 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | None | None | None | None | nan | |||||
| 5284373 | 1289 | 71 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | None | None | None | None | nan | |||||
| 760 | 1289 | 71 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | None | None | None | None | nan | |||||
| CHEMBL160 | 1289 | 71 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | None | None | None | None | nan | |||||
| DB00091 | 1289 | 71 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | None | None | None | None | nan | |||||
| 3598 | 187821 | 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 | 187821 | 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 | 126448 | 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 | 126448 | 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 | 131458 | 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 | 131458 | 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 | 124412 | 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 | 124412 | 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 | 102957 | 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 | 102957 | 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 | 121474 | 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 | 121474 | 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 | 78578 | 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 | 78578 | 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 | 10091 | 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 | 10091 | 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 | 106731 | 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 | 106731 | 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 | 101533 | 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 | 101533 | 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 | 212874 | 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 | 168987 | 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 | 168987 | 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 | 204580 | 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 | 204580 | 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 | 45761 | 59 | None | -1 | 5 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 220 | 8 | 1 | 1 | 4.7 | CCCCCCCCCc1ccc(O)cc1 | nan | |||
| CHEMBL153062 | 45761 | 59 | None | -1 | 5 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 220 | 8 | 1 | 1 | 4.7 | CCCCCCCCCc1ccc(O)cc1 | nan | |||
| 1548953 | 207679 | 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 | 207679 | 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 | 14507 | 0 | None | 1 | 4 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | None | None | None | None | nan | |||||
| CHEMBL2112245 | 209232 | 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 | 106733 | 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 | 106733 | 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 | 104844 | 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 | 104844 | 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 | 100404 | 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 | 100404 | 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 | 206922 | 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 | 206922 | 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 | 206922 | 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 | 106757 | 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 | 106757 | 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 | 71072 | 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 | 71072 | 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 | 3059 | 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 | 3059 | 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 | 3059 | 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 | 3059 | 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 | 210614 | 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 | 15576 | 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 | 15576 | 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 | 15576 | 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 | 5010 | 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 | 5010 | 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 | 107510 | 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 | 107510 | 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 | 191386 | 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 | 191386 | 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 | 117297 | 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 | 117297 | 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 | 97357 | 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 | 97357 | 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 | 2704 | 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 | 2704 | 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 | 2704 | 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 | 102244 | 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 | 102244 | 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 | 101138 | 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 | 101138 | 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 | 203074 | 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 | 203074 | 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 | 10021 | 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 | 10021 | 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 | 9828 | 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 | 9828 | 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 | 210245 | 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 | 109660 | 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 | 109660 | 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 | 12003 | 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 | 12003 | 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 | 130616 | 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 | 130616 | 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 | 209254 | 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 | 176880 | 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 | 176880 | 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 | 131930 | 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 | 131930 | 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 | 4865 | 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 | 4865 | 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 | 121543 | 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 | 121543 | 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 | 59796 | 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 | 59796 | 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 | 139280 | 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 | 139280 | 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 | 162916 | 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 | 162916 | 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 | 117476 | 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 | 117476 | 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 | 209255 | 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 | 105522 | 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 | 105522 | 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 | 79549 | 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 | 79549 | 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 | 99487 | 98 | None | -2 | 4 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 272 | 1 | 0 | 2 | 4.6 | O=c1cc(-c2ccccc2)oc2c1ccc1ccccc12 | nan | |||
| CHEMBL283196 | 99487 | 98 | None | -2 | 4 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 272 | 1 | 0 | 2 | 4.6 | O=c1cc(-c2ccccc2)oc2c1ccc1ccccc12 | nan | |||
| 73265456 | 126450 | 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 | 126450 | 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 | 79618 | 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 | 79618 | 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 | 120499 | 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 | 120499 | 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 | 208667 | 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 | 204376 | 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 | 204376 | 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 | 204393 | 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 | 204393 | 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 | 129654 | 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 | 129654 | 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 | 203917 | 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 | 203917 | 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 | 97148 | 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 | 97148 | 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 | 103783 | 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 | 103783 | 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 | 103067 | 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 | 103067 | 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 | 204083 | 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 | 204083 | 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 | 119844 | 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 | 119844 | 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 | 102774 | 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 | 102774 | 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 | 204360 | 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 | 204360 | 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 | 101176 | 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 | 101176 | 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 | 61380 | 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 | 61380 | 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 | 4774 | 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 | 4774 | 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 | 210266 | 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 | 205513 | 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 | 205513 | 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 | 205513 | 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 | 166911 | 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 | 166911 | 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 | 166911 | 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 | 101412 | 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 | 101412 | 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 | 101227 | 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 | 101227 | 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 | 9836 | 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 | 9836 | 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 | 210980 | 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 | 106756 | 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 | 106756 | 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 | 106756 | 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 | 106756 | 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 | 3030 | 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 | 3030 | 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 | 3030 | 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 | 3030 | 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 | 3030 | 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 | 3030 | 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 | 5105 | 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 | 5105 | 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 | 15332 | 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 | 15332 | 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 | 212843 | 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 | 199084 | 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 | 199084 | 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 | 212561 | 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 | 44561 | 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 | 44561 | 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 | 210618 | 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 | 42932 | 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 | 42932 | 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 | 193189 | 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 | 193189 | 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 | 123818 | 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 | 123818 | 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 | 126442 | 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 | 126442 | 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 | 126452 | 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 | 126452 | 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 | 204302 | 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 | 204302 | 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 | 204353 | 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 | 204353 | 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 | 102708 | 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 | 102708 | 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 | 204273 | 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 | 204273 | 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 | 204044 | 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 | 204044 | 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 | 203894 | 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 | 203894 | 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 | 204354 | 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 | 204354 | 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 | 13747 | 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 | 13747 | 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 | 13747 | 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 | 66684 | 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 | 66684 | 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 | 122128 | 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 | 122128 | 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 | 79520 | 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 | 79520 | 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 | 210154 | 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 | 91365 | 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 | 91365 | 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 | 209645 | 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 | 59859 | 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 | 59859 | 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 | 104371 | 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 | 104371 | 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 | 126451 | 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 | 126451 | 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 | 106757 | 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 | 106757 | 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 | 122946 | 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 | 122946 | 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 | 173633 | 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 | 173633 | 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 | 173633 | 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 | 173633 | 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 | 102778 | 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 | 102778 | 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 | 112668 | 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 | 112668 | 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 | 112668 | 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 | 112668 | 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 | 112668 | 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 | 112668 | 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 | 204710 | 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 | 204710 | 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 | 135264 | 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 | 135264 | 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 | 203821 | 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 | 203821 | 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 | 204304 | 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 | 204304 | 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 | 197242 | 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 | 197242 | 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 | 101473 | 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 | 101473 | 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 | 209646 | 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 | 102888 | 25 | None | -398 | 16 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | |||
| CHEMBL305906 | 102888 | 25 | None | -398 | 16 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | |||
| CHEMBL334255 | 102888 | 25 | None | -398 | 16 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | |||
| 579 | 3144 | 18 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.07.036 | |||||
| 6918468 | 3144 | 18 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.07.036 | |||||
| CHEMBL41547 | 3144 | 18 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.07.036 | |||||
| 10259606 | 118109 | 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 | 118109 | 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 | 210593 | 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 | 210411 | 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 | 205913 | 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 | 205913 | 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 | 204679 | 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 | 204679 | 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 | 210654 | 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 | 160250 | 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 | 160250 | 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 | 61371 | 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 | 61371 | 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 | 101473 | 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 | 101473 | 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 | 55253 | 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 | 55253 | 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 | 115380 | 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 | 115380 | 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 | 115351 | 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 | 115351 | 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 | 115376 | 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 | 115376 | 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 | 115381 | 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 | 115381 | 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 | 115360 | 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 | 115360 | 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 | 115367 | 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 | 115367 | 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 | 211445 | 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 | 115366 | 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 | 115366 | 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 | 211464 | 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 | 115359 | 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 | 115359 | 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 | 115377 | 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 | 115377 | 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 | 115362 | 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 | 115362 | 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 | 98778 | 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 | 98778 | 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 | 211399 | 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 | 211425 | 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 | 211446 | 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 | 115361 | 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 | 115361 | 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 | 85036 | 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 | 85036 | 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 | 78895 | 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 | 78895 | 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 | 168728 | 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 | 168728 | 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 | 6771 | 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 | 6771 | 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 | 92819 | 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 | 92819 | 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 | 93169 | 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 | 93169 | 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 | 151176 | 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 | 151176 | 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 | 142005 | 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 | 142005 | 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 | 169010 | 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 | 169010 | 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 | 1968 | 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 | 1968 | 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 | 1968 | 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 | 1968 | 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 | 6779 | 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 | 6779 | 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 | 14198 | 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 | 14198 | 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 | 14198 | 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 | 151181 | 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 | 151181 | 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 | 1847 | 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 | 1847 | 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 | 1847 | 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 | 84783 | 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 | 84783 | 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 | 84783 | 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 | 84783 | 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 | 85171 | 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 | 85171 | 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 | 143056 | 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 | 143056 | 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 | 6800 | 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 | 6800 | 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 | 84783 | 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 | 84783 | 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 | 92233 | 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 | 92233 | 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 | 78898 | 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 | 78898 | 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 | 85028 | 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 | 85028 | 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 | 85066 | 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 | 85066 | 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 | 6784 | 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 | 6784 | 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 | 6790 | 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 | 6790 | 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 | 149706 | 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 | 149706 | 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 | 151178 | 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 | 151178 | 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 | 200365 | 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 | 200365 | 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 | 89393 | 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 | 89393 | 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 | 85221 | 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 | 85221 | 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 | 96962 | 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 | 96962 | 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 | 142999 | 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 | 142999 | 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 | 143057 | 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 | 143057 | 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 | 161736 | 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 | 161736 | 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 | 6791 | 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 | 6791 | 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 | 6794 | 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 | 6794 | 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 | 6795 | 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 | 6795 | 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 | 6796 | 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 | 6796 | 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 | 142999 | 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 | 142999 | 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 | 85030 | 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 | 85030 | 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 | 85186 | 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 | 85186 | 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 | 142341 | 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 | 142341 | 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 | 142786 | 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 | 142786 | 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 | 205175 | 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 | 205175 | 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 | 203635 | 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 | 203635 | 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 | 92574 | 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 | 92574 | 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 | 58483 | 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 | 58483 | 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 | 151174 | 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 | 151174 | 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 | 85076 | 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 | 85076 | 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 | 171545 | 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 | 171545 | 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 | 6767 | 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 | 6767 | 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 | 6770 | 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 | 6770 | 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 | 6787 | 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 | 6787 | 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 | 6793 | 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 | 6793 | 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 | 93200 | 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 | 93200 | 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 | 102596 | 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 | 102596 | 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 | 169264 | 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 | 169264 | 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 | 203536 | 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 | 203536 | 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 | 203556 | 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 | 203556 | 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 | 59938 | 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 | 59938 | 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 | 131388 | 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 | 131388 | 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 | 1847 | 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 | 1847 | 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 | 1847 | 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 | 199812 | 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 | 199812 | 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 | 172253 | 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 | 172253 | 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 | 174399 | 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 | 174399 | 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 | 78895 | 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 | 78895 | 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 | 10515 | 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 | 10515 | 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 | 85071 | 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 | 85071 | 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 | 143860 | 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 | 143860 | 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 | 6693 | 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 | 6693 | 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 | 6776 | 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 | 6776 | 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 | 6792 | 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 | 6792 | 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 | 6798 | 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 | 6798 | 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 | 6799 | 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 | 6799 | 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 | 6868 | 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 | 6868 | 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 | 172253 | 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 | 172253 | 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 | 10515 | 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 | 10515 | 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 | 58488 | 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 | 58488 | 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 | 117924 | 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 | 117924 | 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 | 151183 | 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 | 151183 | 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 | 149836 | 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 | 149836 | 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 | 85025 | 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 | 85025 | 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 | 85204 | 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 | 85204 | 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 | 169022 | 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 | 169022 | 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 | 6769 | 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 | 6769 | 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 | 6801 | 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 | 6801 | 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 | 6866 | 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 | 6866 | 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 | 155859 | 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 | 155859 | 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 | 3546 | 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 | 3546 | 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 | 3546 | 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 | 204792 | 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 | 204792 | 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 | 175432 | 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 | 175432 | 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 | 201473 | 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 | 201473 | 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 | 203517 | 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 | 203517 | 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 | 142881 | 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 | 142881 | 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 | 3475 | 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 | 3475 | 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 | 3475 | 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 | 3475 | 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 | 3475 | 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 | 96599 | 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 | 96599 | 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 | 205027 | 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 | 205027 | 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 | 205450 | 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 | 205450 | 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 | 120747 | 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 | 120747 | 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 | 120747 | 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 | 120747 | 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 | 3475 | 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 | 3475 | 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 | 3475 | 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 | 3475 | 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 | 3475 | 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 | 3475 | 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 | 3475 | 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 | 3475 | 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 | 3475 | 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 | 3475 | 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 | 200793 | 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 | 200793 | 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 | 172451 | 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 | 172451 | 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 | 142008 | 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 | 142008 | 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 | 143858 | 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 | 143858 | 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 | 6692 | 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 | 6692 | 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 | 6775 | 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 | 6775 | 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 | 6782 | 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 | 6782 | 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 | 6786 | 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 | 6786 | 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 | 6867 | 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 | 6867 | 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 | 6870 | 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 | 6870 | 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 | 2969 | 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 | 2969 | 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 | 2969 | 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 | 2969 | 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 | 2969 | 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 | 92577 | 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 | 92577 | 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 | 4137 | 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 | 4137 | 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 | 4137 | 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 | 181626 | 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 | 181626 | 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 | 197242 | 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 | 197242 | 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 | 203787 | 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 | 203787 | 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 | 211399 | 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 | 92234 | 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 | 92234 | 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 | 78896 | 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 | 78896 | 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 | 85026 | 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 | 85026 | 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 | 6691 | 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 | 6691 | 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 | 6768 | 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 | 6768 | 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 | 6772 | 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 | 6772 | 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 | 6785 | 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 | 6785 | 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 | 6788 | 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 | 6788 | 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 | 6869 | 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 | 6869 | 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 | 6871 | 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 | 6871 | 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 | 7010 | 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 | 7010 | 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 | 4137 | 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 | 4137 | 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 | 4137 | 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 | 92234 | 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 | 92234 | 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 | 204853 | 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 | 204853 | 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 | 204981 | 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 | 204981 | 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 | 205153 | 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 | 205153 | 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 | 57720 | 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 | 57720 | 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 | 181754 | 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 | 181754 | 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 | 102360 | 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 | 102360 | 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 | 2766 | 28 | None | 102 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | |||||
| 3795 | 2766 | 28 | None | 102 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | |||||
| 5311311 | 2766 | 28 | None | 102 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | |||||
| CHEMBL217406 | 2766 | 28 | None | 102 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | |||||
| 10303894 | 86003 | 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 | 86003 | 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 | 149153 | 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 | 149153 | 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 | 166681 | 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 | 166681 | 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 | 170017 | 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 | 170017 | 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 | 170045 | 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 | 170045 | 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 | 142037 | 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 | 142037 | 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 | 142037 | 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 | 6781 | 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 | 6781 | 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 | 6789 | 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 | 6789 | 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 | 6872 | 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 | 6872 | 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 | 142037 | 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 | 142037 | 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 | 142037 | 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 | 104383 | 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 | 104383 | 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 | 155620 | 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 | 155620 | 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 | 155620 | 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 | 204953 | 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 | 204953 | 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 | 57772 | 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 | 57772 | 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 | 120280 | 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 | 120280 | 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 | 172778 | 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 | 172778 | 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 | 102114 | 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 | 102114 | 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 | 203771 | 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 | 203771 | 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 | 79128 | 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 | 79128 | 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 | 79643 | 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 | 79643 | 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 | 143348 | 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 | 143348 | 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 | 92230 | 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 | 92230 | 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 | 103089 | 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 | 103089 | 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 | 172773 | 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 | 172773 | 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 | 5457 | 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 | 5457 | 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 | 198675 | 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 | 198675 | 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 | 60077 | 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 | 60077 | 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 | 117369 | 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 | 117369 | 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 | 204304 | 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 | 204304 | 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 | 112668 | 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 | 112668 | 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 | 112668 | 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 | 204831 | 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 | 204831 | 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 | 17955 | 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 | 17955 | 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 | 109020 | 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 | 109020 | 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 | 112910 | 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 | 112910 | 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 | 3524 | 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 | 3524 | 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 | 3524 | 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 | 149823 | 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 | 149823 | 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 | 171077 | 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 | 171077 | 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 | 171302 | 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 | 171302 | 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 | 172802 | 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 | 172802 | 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 | 188885 | 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 | 188885 | 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 | 85132 | 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 | 85132 | 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 | 6773 | 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 | 6773 | 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 | 6797 | 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 | 6797 | 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 | 171343 | 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 | 171343 | 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 | 203575 | 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 | 203575 | 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 | 203771 | 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 | 203771 | 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 | 61204 | 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 | 61204 | 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 | 204304 | 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 | 204304 | 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 | 92232 | 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 | 92232 | 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 | 103111 | 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 | 103111 | 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 | 5239 | 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 | 5239 | 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 | 7830 | 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 | 7830 | 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 | 149464 | 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 | 149464 | 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 | 104411 | 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 | 104411 | 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 | 204839 | 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 | 204839 | 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 | 204867 | 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 | 204867 | 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 | 205011 | 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 | 205011 | 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 | 176415 | 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 | 176415 | 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 | 3475 | 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 | 3475 | 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 | 3475 | 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 | 3475 | 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 | 3475 | 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 | 2766 | 28 | None | 102 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm401823z | |||||
| 3795 | 2766 | 28 | None | 102 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm401823z | |||||
| 5311311 | 2766 | 28 | None | 102 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm401823z | |||||
| CHEMBL217406 | 2766 | 28 | None | 102 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm401823z | |||||
| 9887650 | 16651 | 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 | 16651 | 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 | 117002 | 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 | 117002 | 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 | 118479 | 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 | 118479 | 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 | 89439 | 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 | 89439 | 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 | 149224 | 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 | 149224 | 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 | 149227 | 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 | 149227 | 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 | 173460 | 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 | 173460 | 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 | 188330 | 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 | 188330 | 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 | 168707 | 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 | 168707 | 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 | 6777 | 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 | 6777 | 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 | 5346 | 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 | 5346 | 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 | 7883 | 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 | 7883 | 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 | 169497 | 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 | 169497 | 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 | 161728 | 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 | 161728 | 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 | 116405 | 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 | 116405 | 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 | 96940 | 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 | 96940 | 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 | 58328 | 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 | 58328 | 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 | 59891 | 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 | 59891 | 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 | 82450 | 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 | 82450 | 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 | 116406 | 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 | 116406 | 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 | 97251 | 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 | 97251 | 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 | 116407 | 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 | 116407 | 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 | 103019 | 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 | 103019 | 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 | 120721 | 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 | 120721 | 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 | 101342 | 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 | 101342 | 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 | 61367 | 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 | 61367 | 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 | 93171 | 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 | 93171 | 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 | 16934 | 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 | 16934 | 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 | 17273 | 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 | 17273 | 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 | 110319 | 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 | 110319 | 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 | 88594 | 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 | 88594 | 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 | 152170 | 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 | 152170 | 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 | 171651 | 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 | 171651 | 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 | 52731 | 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 | 52731 | 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 | 54793 | 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 | 54793 | 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 | 84898 | 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 | 84898 | 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 | 85072 | 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 | 85072 | 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 | 137270 | 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 | 137270 | 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 | 142038 | 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 | 142038 | 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 | 85976 | 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 | 85976 | 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 | 116408 | 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 | 116408 | 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 | 110319 | 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 | 110319 | 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 | 164020 | 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 | 164020 | 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 | 203486 | 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 | 203486 | 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 | 116965 | 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 | 116965 | 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 | 205042 | 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 | 205042 | 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 | 120764 | 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 | 120764 | 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 | 197242 | 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 | 197242 | 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 | 205245 | 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 | 205245 | 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 | 83530 | 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 | 83530 | 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 | 92575 | 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 | 92575 | 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 | 168500 | 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 | 168500 | 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 | 107257 | 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 | 107257 | 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 | 168500 | 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 | 168500 | 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 | 88557 | 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 | 88557 | 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 | 149226 | 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 | 149226 | 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 | 153568 | 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 | 153568 | 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 | 172959 | 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 | 172959 | 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 | 188701 | 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 | 188701 | 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 | 168500 | 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 | 168500 | 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 | 85081 | 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 | 85081 | 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 | 137871 | 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 | 137871 | 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 | 168500 | 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 | 168500 | 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 | 6774 | 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 | 6774 | 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 | 6778 | 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 | 6778 | 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 | 6780 | 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 | 6780 | 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 | 6890 | 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 | 6890 | 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 | 168500 | 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 | 168500 | 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 | 112835 | 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 | 112835 | 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 | 118336 | 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 | 118336 | 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 | 171309 | 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 | 171309 | 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 | 99817 | 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 | 99817 | 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 | 96593 | 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 | 96593 | 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 | 116435 | 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 | 116435 | 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 | 4218 | 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 | 4218 | 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 | 172415 | 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 | 172415 | 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 | 188255 | 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 | 188255 | 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 | 78897 | 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 | 78897 | 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 | 15330 | 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 | 15330 | 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 | 10497 | 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 | 10497 | 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 | 143870 | 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 | 143870 | 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 | 86263 | 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 | 86263 | 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 | 118052 | 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 | 118052 | 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 | 118111 | 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 | 118111 | 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 | 168553 | 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 | 168553 | 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 | 65628 | 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 | 65628 | 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 | 99980 | 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 | 99980 | 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 | 89177 | 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 | 89177 | 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 | 89310 | 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 | 89310 | 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 | 89434 | 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 | 89434 | 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 | 89435 | 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 | 89435 | 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 | 89605 | 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 | 89605 | 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 | 149226 | 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 | 149226 | 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 | 167053 | 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 | 167053 | 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 | 101807 | 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 | 101807 | 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 | 64857 | 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 | 64857 | 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 | 92363 | 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 | 92363 | 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 | 63880 | 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 | 63880 | 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 | 60608 | 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 | 60608 | 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 | 118865 | 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 | 118865 | 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 | 145797 | 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 | 145797 | 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 | 65009 | 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 | 65009 | 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 | 68367 | 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 | 68367 | 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 | 3694 | 36 | None | -457 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | |||||
| 36511 | 3694 | 36 | None | -457 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | |||||
| 3805 | 3694 | 36 | None | -457 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | |||||
| 3835 | 3694 | 36 | None | -457 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | |||||
| CHEMBL235363 | 3694 | 36 | None | -457 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | |||||
| 10232846 | 114116 | 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 | 114116 | 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 | 212962 | 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 | 120033 | 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 | 120033 | 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 | 17986 | 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 | 17986 | 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 | 17986 | 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 | 196851 | 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 | 196851 | 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 | 99890 | 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 | 99890 | 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 | 118962 | 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 | 118962 | 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 | 121011 | 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 | 121011 | 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 | 57617 | 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 | 57617 | 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 | 4521 | 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 | 4521 | 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 | 99958 | 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 | 99958 | 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 | 111391 | 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 | 111391 | 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 | 119254 | 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 | 119254 | 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 | 16881 | 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 | 16881 | 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 | 88753 | 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 | 88753 | 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 | 106709 | 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 | 106709 | 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 | 188676 | 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 | 188676 | 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 | 92580 | 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 | 92580 | 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 | 10561 | 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 | 10561 | 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 | 110308 | 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 | 110308 | 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 | 213626 | 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 | 64039 | 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 | 64039 | 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 | 64276 | 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 | 64276 | 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 | 215359 | 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 | 60603 | 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 | 60603 | 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 | 100845 | 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 | 100845 | 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 | 207848 | 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 | 207848 | 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 | 3497 | 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 | 3497 | 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 | 3497 | 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 | 3747 | 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 | 3747 | 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 | 3747 | 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 | 3747 | 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 | 3747 | 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 | 3747 | 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 | 166775 | 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 | 166775 | 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 | 107232 | 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 | 107232 | 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 | 168550 | 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 | 168550 | 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 | 208391 | 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 | 208391 | 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 | 89043 | 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 | 89043 | 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 | 89313 | 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 | 89313 | 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 | 20846 | 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 | 20846 | 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 | 78500 | 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 | 78500 | 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 | 78783 | 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 | 78783 | 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 | 110485 | 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 | 110485 | 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 | 110485 | 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 | 110485 | 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 | 118860 | 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 | 118860 | 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 | 118868 | 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 | 118868 | 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 | 103577 | 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 | 103577 | 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 | 204562 | 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 | 204562 | 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 | 2592 | 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 | 2592 | 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 | 2592 | 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 | 2592 | 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 | 2592 | 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 | 205149 | 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 | 205149 | 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 | 110569 | 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 | 110569 | 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 | 204833 | 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 | 204833 | 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 | 197066 | 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 | 197066 | 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 | 64275 | 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 | 64275 | 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 | 111363 | 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 | 111363 | 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 | 121761 | 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 | 121761 | 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 | 60609 | 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 | 60609 | 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 | 3286 | 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 | 3286 | 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 | 3286 | 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 | 3286 | 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 | 3286 | 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 | 2237 | 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 | 2237 | 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 | 2237 | 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 | 2496 | 52 | None | -165 | 42 | 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 | 2496 | 52 | None | -165 | 42 | 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 | 2496 | 52 | None | -165 | 42 | 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 | 2496 | 52 | None | -165 | 42 | 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 | 2496 | 52 | None | -165 | 42 | 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 | 162968 | 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 | 162968 | 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 | 39904 | 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 | 39904 | 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 | 187821 | 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 | 187821 | 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 | 1289 | 71 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | None | nan | |||||
| 162639143 | 1289 | 71 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | None | nan | |||||
| 5284373 | 1289 | 71 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | None | nan | |||||
| 760 | 1289 | 71 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | None | nan | |||||
| CHEMBL160 | 1289 | 71 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | None | nan | |||||
| DB00091 | 1289 | 71 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | None | nan | |||||
| 44380732 | 58992 | 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 | 58992 | 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 | 5291 | 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 | 5291 | 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 | 8045 | 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 | 8045 | 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 | 110480 | 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 | 110480 | 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 | 37174 | 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 | 37174 | 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 | 92563 | 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 | 92563 | 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 | 175565 | 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 | 175565 | 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 | 118860 | 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 | 118860 | 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 | 197825 | 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 | 197825 | 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 | 208454 | 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 | 3744 | 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 | 3744 | 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 | 3744 | 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 | 39837 | 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 | 39837 | 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 | 167613 | 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 | 167613 | 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 | 3744 | 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 | 3744 | 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 | 3744 | 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 | 39150 | 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 | 39150 | 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 | 110313 | 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 | 110313 | 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 | 37940 | 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 | 37940 | 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 | 208277 | 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 | 208277 | 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 | 161943 | 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 | 161943 | 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 | 188211 | 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 | 188211 | 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 | 2767 | 25 | None | -38 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm5017413 | |||||
| 5311312 | 2767 | 25 | None | -38 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm5017413 | |||||
| CHEMBL437797 | 2767 | 25 | None | -38 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm5017413 | |||||
| 11421866 | 137214 | 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 | 137214 | 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 | 6783 | 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 | 6783 | 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 | 45761 | 59 | None | -1 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 220 | 8 | 1 | 1 | 4.7 | CCCCCCCCCc1ccc(O)cc1 | nan | |||
| CHEMBL153062 | 45761 | 59 | None | -1 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 220 | 8 | 1 | 1 | 4.7 | CCCCCCCCCc1ccc(O)cc1 | nan | |||
| 1548953 | 207679 | 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 | 207679 | 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 | 14507 | 0 | None | 1 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | None | nan | |||||
| 2406 | 100404 | 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 | 100404 | 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 | 208460 | 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 | 99639 | 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 | 99639 | 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 | 118077 | 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 | 118077 | 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 | 200087 | 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 | 200087 | 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 | 215781 | 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 | 215781 | 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 | 64288 | 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 | 64288 | 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 | 5427 | 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 | 5427 | 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 | 18166 | 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 | 18166 | 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 | 39069 | 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 | 39069 | 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 | 39905 | 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 | 39905 | 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 | 58116 | 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 | 58116 | 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 | 15332 | 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 | 15332 | 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 | 64935 | 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 | 64935 | 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 | 66104 | 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 | 66104 | 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 | 89410 | 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 | 89410 | 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 | 174808 | 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 | 174808 | 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 | 206922 | 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 | 206922 | 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 | 206922 | 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 | 15576 | 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 | 15576 | 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 | 15576 | 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 | 99816 | 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 | 99816 | 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 | 100090 | 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 | 100090 | 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 | 109046 | 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 | 109046 | 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 | 100470 | 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 | 100470 | 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 | 205063 | 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 | 205063 | 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 | 10021 | 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 | 10021 | 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 | 4442 | 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 | 4442 | 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 | 172072 | 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 | 172072 | 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 | 9215 | 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 | 9215 | 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 | 111449 | 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 | 111449 | 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 | 207668 | 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 | 207668 | 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 | 99663 | 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 | 99663 | 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 | 101370 | 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 | 101370 | 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 | 10119 | 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 | 10119 | 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 | 120465 | 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 | 120465 | 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 | 120465 | 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 | 120856 | 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 | 120856 | 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 | 16544 | 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 | 16544 | 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 | 16803 | 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 | 16803 | 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 | 116841 | 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 | 116841 | 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 | 78788 | 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 | 78788 | 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 | 89326 | 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 | 89326 | 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 | 89512 | 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 | 89512 | 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 | 188619 | 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 | 188619 | 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 | 60669 | 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 | 60669 | 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 | 99487 | 98 | None | -2 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 272 | 1 | 0 | 2 | 4.6 | O=c1cc(-c2ccccc2)oc2c1ccc1ccccc12 | nan | |||
| CHEMBL283196 | 99487 | 98 | None | -2 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 272 | 1 | 0 | 2 | 4.6 | O=c1cc(-c2ccccc2)oc2c1ccc1ccccc12 | nan | |||
| 118724123 | 116412 | 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 | 116412 | 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 | 36377 | 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 | 36377 | 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 | 206132 | 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 | 206132 | 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 | 17972 | 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 | 17972 | 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 | 120315 | 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 | 120315 | 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 | 100031 | 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 | 100031 | 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 | 109394 | 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 | 109394 | 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 | 110574 | 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 | 110574 | 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 | 113812 | 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 | 113812 | 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 | 156596 | 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 | 156596 | 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 | 102751 | 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 | 102751 | 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 | 103780 | 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 | 103780 | 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 | 169194 | 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 | 169194 | 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 | 169194 | 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 | 203486 | 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 | 203486 | 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 | 58489 | 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 | 58489 | 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 | 86146 | 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 | 86146 | 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 | 78420 | 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 | 78420 | 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 | 152670 | 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 | 152670 | 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 | 152669 | 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 | 152669 | 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 | 86005 | 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 | 86005 | 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 | 3587 | 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 | 3587 | 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 | 3587 | 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 | 3587 | 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 | 179508 | 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 | 179508 | 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 | 105505 | 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 | 105505 | 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 | 204911 | 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 | 204911 | 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 | 16809 | 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 | 16809 | 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 | 157357 | 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 | 157357 | 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 | 89402 | 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 | 89402 | 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 | 119491 | 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 | 119491 | 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 | 16651 | 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 | 16651 | 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 | 102981 | 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 | 102981 | 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 | 57612 | 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 | 57612 | 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 | 79642 | 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 | 79642 | 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 | 105399 | 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 | 105399 | 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 | 93170 | 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 | 93170 | 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 | 5260 | 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 | 5260 | 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 | 99695 | 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 | 99695 | 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 | 118591 | 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 | 118591 | 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 | 35900 | 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 | 35900 | 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 | 92308 | 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 | 92308 | 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 | 64184 | 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 | 64184 | 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 | 64297 | 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 | 64297 | 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 | 65589 | 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 | 65589 | 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 | 122817 | 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 | 122817 | 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 | 123706 | 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 | 123706 | 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 | 104351 | 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 | 104351 | 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 | 64076 | 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 | 64076 | 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 | 64444 | 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 | 64444 | 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 | 64836 | 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 | 64836 | 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 | 122431 | 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 | 122431 | 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 | 205513 | 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 | 205513 | 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 | 205513 | 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 | 207981 | 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 | 207981 | 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 | 166911 | 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 | 166911 | 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 | 166911 | 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 | 9836 | 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 | 9836 | 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 | 105679 | 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 | 105679 | 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 | 103809 | 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 | 103809 | 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 | 99882 | 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 | 99882 | 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 | 112723 | 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 | 112723 | 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 | 103809 | 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 | 103809 | 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 | 119232 | 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 | 119232 | 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 | 103809 | 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 | 103809 | 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 | 103809 | 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 | 103809 | 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 | 104749 | 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 | 104749 | 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 | 100100 | 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 | 100100 | 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 | 107434 | 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 | 107434 | 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 | 4646 | 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 | 4646 | 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 | 59245 | 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 | 59245 | 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 | 102909 | 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 | 102909 | 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 | 108612 | 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 | 108612 | 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 | 5446 | 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 | 5446 | 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 | 100111 | 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 | 100111 | 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 | 41808 | 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 | 41808 | 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 | 179468 | 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 | 179468 | 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 | 208420 | 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 | 208420 | 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 | 199084 | 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 | 199084 | 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 | 120361 | 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 | 120361 | 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 | 35715 | 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 | 35715 | 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 | 120942 | 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 | 120942 | 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 | 41808 | 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 | 41808 | 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 | 129817 | 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 | 129817 | 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 | 159886 | 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 | 159886 | 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 | 107447 | 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 | 107447 | 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 | 58091 | 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 | 58091 | 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 | 208390 | 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 | 208390 | 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 | 4296 | 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 | 4296 | 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 | 120728 | 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 | 120728 | 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 | 204825 | 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 | 204825 | 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 | 161677 | 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 | 161677 | 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 | 92364 | 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 | 92364 | 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 | 14795 | 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 | 14795 | 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 | 14795 | 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 | 89408 | 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 | 89408 | 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 | 120255 | 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 | 120255 | 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 | 113493 | 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 | 113493 | 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 | 168826 | 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 | 168826 | 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 | 170773 | 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 | 170773 | 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 | 170911 | 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 | 170911 | 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 | 137272 | 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 | 137272 | 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 | 85977 | 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 | 85977 | 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 | 65393 | 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 | 65393 | 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 | 103181 | 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 | 103181 | 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 | 160783 | 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 | 160783 | 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 | 89178 | 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 | 89178 | 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 | 108940 | 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 | 108940 | 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 | 205142 | 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 | 205142 | 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 | 16312 | 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 | 16312 | 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 | 118757 | 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 | 118757 | 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 | 15333 | 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 | 15333 | 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 | 205145 | 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 | 205145 | 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 | 58487 | 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 | 58487 | 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 | 205148 | 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 | 205148 | 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 | 108038 | 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 | 108038 | 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 | 121277 | 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 | 121277 | 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 | 107416 | 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 | 107416 | 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 | 209240 | 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 | 179234 | 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 | 179234 | 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 | 3499 | 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 | 3499 | 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 | 3499 | 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 | 4682 | 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 | 4682 | 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 | 6711 | 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 | 6711 | 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 | 99640 | 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 | 99640 | 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 | 35930 | 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 | 35930 | 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 | 105693 | 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 | 105693 | 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 | 92862 | 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 | 92862 | 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 | 148307 | 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 | 148307 | 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 | 112606 | 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 | 112606 | 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 | 113474 | 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 | 113474 | 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 | 102888 | 25 | None | -398 | 16 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | |||
| CHEMBL305906 | 102888 | 25 | None | -398 | 16 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | |||
| CHEMBL334255 | 102888 | 25 | None | -398 | 16 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | |||
| 4529080 | 167493 | 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 | 167493 | 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 | 167493 | 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 | 167493 | 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 | 4215 | 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 | 4215 | 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 | 6689 | 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 | 6689 | 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 | 113797 | 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 | 113797 | 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 | 125506 | 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 | 125506 | 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 | 203691 | 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 | 203691 | 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 | 105728 | 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 | 105728 | 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 | 120720 | 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 | 120720 | 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 | 191386 | 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 | 191386 | 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 | 171823 | 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 | 171823 | 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 | 142039 | 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 | 142039 | 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 | 163559 | 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 | 163559 | 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 | 168911 | 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 | 168911 | 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 | 166690 | 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 | 166690 | 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 | 110157 | 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 | 110157 | 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 | 110394 | 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 | 110394 | 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 | 163559 | 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 | 163559 | 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 | 168911 | 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 | 168911 | 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 | 57613 | 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 | 57613 | 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 | 5332 | 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 | 5332 | 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 | 58485 | 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 | 58485 | 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 | 5298 | 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 | 5298 | 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 | 108603 | 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 | 108603 | 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 | 96427 | 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 | 96427 | 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 | 196699 | 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 | 196699 | 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 | 167808 | 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 | 167808 | 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 | 197149 | 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 | 197149 | 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 | 92562 | 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 | 92562 | 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 | 150926 | 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 | 150926 | 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 | 15641 | 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 | 15641 | 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 | 16593 | 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 | 16593 | 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 | 199812 | 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 | 199812 | 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 | 4219 | 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 | 4219 | 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 | 88571 | 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 | 88571 | 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 | 89513 | 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 | 89513 | 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 | 169626 | 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 | 169626 | 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 | 169934 | 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 | 169934 | 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 | 173875 | 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 | 173875 | 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 | 78899 | 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 | 78899 | 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 | 58484 | 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 | 58484 | 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 | 85169 | 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 | 85169 | 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 | 9849 | 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 | 9849 | 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 | 10526 | 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 | 10526 | 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 | 204797 | 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 | 204797 | 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 | 149379 | 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 | 149379 | 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 | 64371 | 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 | 64371 | 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 | 110215 | 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 | 110215 | 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 | 122331 | 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 | 122331 | 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 | 122359 | 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 | 122359 | 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 | 145278 | 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 | 145278 | 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 | 208287 | 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 | 208287 | 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 | 204993 | 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 | 204993 | 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 | 100993 | 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 | 100993 | 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 | 201389 | 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 | 201389 | 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 | 107761 | 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 | 107761 | 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 | 88594 | 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 | 88594 | 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 | 154793 | 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 | 154793 | 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 | 123558 | 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 | 123558 | 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 | 166185 | 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 | 166185 | 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 | 123912 | 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 | 123912 | 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 | 209219 | 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 | 98328 | 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 | 98328 | 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 | 9922 | 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 | 9922 | 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 | 145822 | 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 | 145822 | 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 | 146860 | 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 | 146860 | 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 | 167348 | 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 | 167348 | 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 | 9922 | 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 | 9922 | 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 | 10522 | 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 | 10522 | 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 | 110358 | 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 | 110358 | 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 | 160250 | 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 | 160250 | 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 | 64464 | 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 | 64464 | 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 | 160093 | 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 | 160093 | 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 | 79463 | 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 | 79463 | 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 | 20035 | 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 | 20035 | 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 | 168044 | 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 | 168044 | 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 | 41808 | 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 | 41808 | 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 | 102916 | 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 | 102916 | 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 | 196395 | 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 | 196395 | 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 | 4075 | 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 | 4075 | 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 | 4075 | 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 | 89406 | 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 | 89406 | 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 | 98263 | 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 | 98263 | 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 | 4779 | 101 | None | -28 | 34 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | |||
| CHEMBL104 | 4779 | 101 | None | -28 | 34 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | |||
| 44314868 | 155698 | 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 | 155698 | 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 | 157327 | 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 | 157327 | 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 | 208286 | 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 | 208286 | 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 | 207968 | 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 | 207968 | 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 | 110392 | 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 | 110392 | 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 | 41808 | 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 | 41808 | 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 | 117037 | 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 | 117037 | 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 | 2969 | 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 | 2969 | 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 | 2969 | 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 | 2969 | 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 | 2969 | 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 | 58783 | 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 | 58783 | 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 | 204936 | 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 | 204936 | 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 | 147166 | 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 | 147166 | 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 | 160956 | 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 | 160956 | 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 | 205113 | 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 | 205113 | 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 | 41808 | 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 | 41808 | 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 | 3744 | 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 | 3744 | 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 | 3744 | 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 | 2766 | 28 | None | -3548 | 5 | Guinea pig | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00073a022 | |||||
| 3795 | 2766 | 28 | None | -3548 | 5 | Guinea pig | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00073a022 | |||||
| 5311311 | 2766 | 28 | None | -3548 | 5 | Guinea pig | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00073a022 | |||||
| CHEMBL217406 | 2766 | 28 | None | -3548 | 5 | Guinea pig | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00073a022 | |||||
| 86274964 | 160347 | 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 | 160347 | 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 | 115258 | 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 | 115258 | 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 | 204790 | 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 | 204790 | 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 | 89405 | 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 | 89405 | 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 | 204996 | 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 | 204996 | 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 | 35666 | 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 | 35666 | 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 | 36647 | 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 | 36647 | 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 | 167052 | 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 | 167052 | 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 | 120784 | 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 | 120784 | 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 | 105082 | 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 | 105082 | 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 | 88752 | 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 | 88752 | 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 | 106710 | 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 | 106710 | 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 | 208561 | 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 | 3744 | 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 | 3744 | 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 | 3744 | 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 | 163872 | 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 | 163872 | 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 | 102918 | 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 | 102918 | 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 | 99627 | 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 | 99627 | 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 | 109205 | 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 | 109205 | 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 | 109687 | 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 | 109687 | 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 | 163199 | 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 | 163199 | 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 | 35783 | 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 | 35783 | 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 | 204838 | 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 | 204838 | 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 | 204838 | 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 | 204838 | 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 | 92581 | 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 | 92581 | 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 | 58155 | 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 | 58155 | 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 | 173722 | 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 | 173722 | 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 | 57819 | 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 | 57819 | 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 | 15331 | 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 | 15331 | 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 | 58486 | 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 | 58486 | 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 | 180596 | 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 | 180596 | 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 | 92231 | 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 | 92231 | 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 | 196199 | 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 | 196199 | 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 | 204974 | 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 | 204974 | 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 | 57435 | 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 | 57435 | 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 | 93221 | 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 | 93221 | 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 | 143077 | 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 | 143077 | 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 | 103796 | 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 | 103796 | 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 | 9173 | 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 | 9173 | 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 | 109528 | 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 | 109528 | 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 | 198289 | 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 | 198289 | 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 | 2969 | 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 | 2969 | 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 | 2969 | 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 | 2969 | 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 | 2969 | 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 | 104360 | 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 | 104360 | 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 | 204639 | 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 | 204639 | 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 | 204785 | 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 | 204785 | 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 | 159880 | 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 | 159880 | 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 | 213978 | 45 | None | -338 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | None | None | None | Clc1cc2c(NC3CCCC3)nnc(-c3ccncc3)c2cc1Cl | 10.6019/CHEMBL5212743 | |||||
| 2750 | 204061 | 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 | 204061 | 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 | 59352 | 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 | 59352 | 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 | 116890 | 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 | 116890 | 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 | 2767 | 25 | None | -38 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | |||||
| 5311312 | 2767 | 25 | None | -38 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | |||||
| CHEMBL437797 | 2767 | 25 | None | -38 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | |||||
| 9940831 | 14646 | 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 | 14646 | 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 | 14646 | 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 | 119394 | 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 | 119394 | 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 | 112405 | 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 | 112405 | 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 | 208458 | 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 | 58491 | 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 | 58491 | 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 | 120736 | 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 | 120736 | 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 | 13227 | 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 | 13227 | 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 | 40490 | 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 | 40490 | 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 | 100697 | 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 | 100697 | 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 | 205094 | 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 | 205094 | 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 | 96596 | 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 | 96596 | 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 | 102913 | 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 | 102913 | 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 | 168296 | 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 | 168296 | 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 | 160673 | 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 | 160673 | 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 | 19077 | 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 | 19077 | 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 | 78909 | 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 | 78909 | 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 | 210411 | 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 | 17954 | 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 | 17954 | 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 | 171925 | 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 | 171925 | 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 | 188873 | 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 | 188873 | 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 | 52895 | 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 | 52895 | 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 | 142966 | 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 | 142966 | 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 | 9810 | 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 | 9810 | 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 | 103139 | 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 | 103139 | 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 | 14646 | 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 | 14646 | 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 | 14646 | 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 | 58163 | 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 | 58163 | 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 | 153184 | 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 | 153184 | 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 | 14795 | 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 | 14795 | 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 | 14795 | 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 | 181598 | 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 | 181598 | 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 | 116411 | 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 | 116411 | 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 | 58108 | 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 | 58108 | 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 | 58616 | 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 | 58616 | 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 | 63904 | 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 | 63904 | 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 | 130693 | 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 | 130693 | 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 | 89606 | 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 | 89606 | 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 | 90261 | 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 | 90261 | 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 | 154429 | 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 | 154429 | 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 | 63504 | 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 | 63504 | 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 | 64327 | 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 | 64327 | 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 | 64573 | 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 | 64573 | 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 | 64852 | 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 | 64852 | 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 | 122024 | 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 | 122024 | 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 | 167975 | 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 | 167975 | 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 | 157343 | 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 | 157343 | 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 | 101104 | 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 | 101104 | 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 | 197141 | 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 | 197141 | 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 | 96872 | 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 | 96872 | 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 | 208118 | 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 | 208118 | 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 | 207099 | 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 | 207099 | 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 | 207099 | 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 | 120983 | 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 | 120983 | 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 | 195486 | 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 | 195486 | 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 | 195486 | 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 | 15611 | 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 | 15611 | 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 | 99986 | 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 | 99986 | 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 | 107447 | 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 | 107447 | 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 | 208277 | 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 | 208277 | 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 | 107556 | 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 | 107556 | 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 | 176149 | 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 | 176149 | 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 | 176149 | 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 | 176149 | 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 | 105617 | 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 | 105617 | 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 | 50221 | 42 | None | -36 | 10 | 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 | 50221 | 42 | None | -36 | 10 | 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 | 50221 | 42 | None | -36 | 10 | 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 | 58744 | 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 | 58744 | 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 | 35668 | 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 | 35668 | 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 | 71118 | 80 | None | -2 | 10 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 206 | 7 | 1 | 1 | 4.3 | CCCCCCCCc1ccc(O)cc1 | nan | |||
| CHEMBL195437 | 71118 | 80 | None | -2 | 10 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 206 | 7 | 1 | 1 | 4.3 | CCCCCCCCc1ccc(O)cc1 | nan | |||
| 44329367 | 208248 | 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 | 208248 | 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 | 208087 | 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 | 208087 | 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 | 118995 | 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 | 118995 | 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 | 12242 | 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 | 12242 | 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 | 12242 | 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 | 118856 | 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 | 118856 | 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 | 99987 | 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 | 99987 | 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 | 109696 | 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 | 109696 | 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 | 113524 | 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 | 113524 | 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 | 179107 | 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 | 179107 | 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 | 15566 | 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 | 15566 | 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 | 112830 | 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 | 112830 | 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 | 149224 | 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 | 149224 | 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 | 153036 | 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 | 153036 | 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 | 119595 | 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 | 119595 | 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 | 120063 | 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 | 120063 | 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 | 168947 | 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 | 168947 | 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 | 168135 | 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 | 168135 | 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 | 199059 | 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 | 199059 | 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 | 98413 | 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 | 98413 | 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 | 120476 | 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 | 120476 | 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 | 64529 | 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 | 64529 | 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 | 169246 | 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 | 169246 | 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 | 167412 | 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 | 167412 | 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 | 64445 | 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 | 64445 | 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 | 64564 | 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 | 64564 | 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 | 65628 | 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 | 65628 | 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 | 116764 | 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 | 116764 | 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 | 111328 | 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 | 111328 | 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 | 64345 | 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 | 64345 | 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 | 122627 | 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 | 122627 | 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 | 11848 | 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 | 11848 | 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 | 11848 | 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 | 11848 | 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 | 398 | 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 | 398 | 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 | 398 | 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 | 398 | 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 | 398 | 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 | 102858 | 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 | 102858 | 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 | 198795 | 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 | 198795 | 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 | 111449 | 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 | 111449 | 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 | 40063 | 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 | 40063 | 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 | 121048 | 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 | 121048 | 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 | 208287 | 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 | 208287 | 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 | 19400 | 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 | 19400 | 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 | 208118 | 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 | 208118 | 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 | 108602 | 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 | 108602 | 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 | 53558 | 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 | 53558 | 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 | 109431 | 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 | 109431 | 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 | 39954 | 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 | 39954 | 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 | 204555 | 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 | 204555 | 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 | 188887 | 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 | 188887 | 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 | 101974 | 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 | 101974 | 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 | 117099 | 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 | 117099 | 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 | 200793 | 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 | 200793 | 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 | 10492 | 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 | 10492 | 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 | 149518 | 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 | 149518 | 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 | 130097 | 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 | 130097 | 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 | 54849 | 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 | 54849 | 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 | 85187 | 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 | 85187 | 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 | 10492 | 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 | 10492 | 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 | 110426 | 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 | 110426 | 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 | 16651 | 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 | 16651 | 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 | 90126 | 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 | 90126 | 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 | 92821 | 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 | 92821 | 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 | 89409 | 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 | 89409 | 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 | 205067 | 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 | 205067 | 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 | 1662 | 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 | 1662 | 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 | 1662 | 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 | 1662 | 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 | 1662 | 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 | 58322 | 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 | 58322 | 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 | 160089 | 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 | 160089 | 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 | 112887 | 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 | 112887 | 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 | 2969 | 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 | 2969 | 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 | 2969 | 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 | 2969 | 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 | 2969 | 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 | 63458 | 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 | 63458 | 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 | 123869 | 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 | 123869 | 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 | 103182 | 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 | 103182 | 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 | 105414 | 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 | 105414 | 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 | 62885 | 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 | 62885 | 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 | 132409 | 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 | 132409 | 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 | 9841 | 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 | 9841 | 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 | 118858 | 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 | 118858 | 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 | 9841 | 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 | 9841 | 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 | 99808 | 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 | 99808 | 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 | 110389 | 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 | 110389 | 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 | 114252 | 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 | 114252 | 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 | 7975 | 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 | 7975 | 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 | 58490 | 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 | 58490 | 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 | 116410 | 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 | 116410 | 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 | 120344 | 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 | 120344 | 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 | 168748 | 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 | 168748 | 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 | 58115 | 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 | 58115 | 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 | 60668 | 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 | 60668 | 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 | 180694 | 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 | 180694 | 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 | 167408 | 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 | 167408 | 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 | 208045 | 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 | 208045 | 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 | 3497 | 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 | 3497 | 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 | 3497 | 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 | 207848 | 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 | 207848 | 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 | 2969 | 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 | 2969 | 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 | 2969 | 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 | 2969 | 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 | 2969 | 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 | 212391 | 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 | 56312 | 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 | 56312 | 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 | 58265 | 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 | 58265 | 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 | 40039 | 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 | 40039 | 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 | 3779 | 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 | 3779 | 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 | 3779 | 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 | 3779 | 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 | 3779 | 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 | 109220 | 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 | 109220 | 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 | 109762 | 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 | 109762 | 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 | 92820 | 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 | 92820 | 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 | 101242 | 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 | 101242 | 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 | 163153 | 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 | 163153 | 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 | 149362 | 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 | 149362 | 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 | 5010 | 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 | 5010 | 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 | 200017 | 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 | 200017 | 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 | 919 | 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 | 919 | 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 | 919 | 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 | 919 | 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 | 919 | 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 | 37188 | 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 | 37188 | 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 | 153187 | 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 | 153187 | 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 | 188625 | 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 | 188625 | 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 | 3475 | 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 | 3475 | 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 | 3475 | 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 | 3475 | 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 | 3475 | 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 | 105656 | 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 | 105656 | 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 | 92309 | 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 | 92309 | 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 | 122543 | 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 | 122543 | 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 | 197037 | 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 | 197037 | 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 | 102875 | 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 | 102875 | 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 | 198864 | 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 | 198864 | 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 | 505 | 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 | 505 | 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 | 505 | 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 | 505 | 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 | 505 | 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 | 160874 | 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 | 160874 | 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 | 604 | 0 | None | - | 1 | Human | 6.0 | pKd | = | 6 | Binding | Guide to Pharmacology | None | None | None | None | 7682062 | |||||
| 2115 | 1847 | 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 | 1847 | 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 | 1847 | 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 | 1847 | 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 | 1847 | 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 | 1847 | 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 | 1847 | 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 | 1847 | 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 | 1847 | 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 | 2766 | 28 | None | 102 | 5 | Human | 9.3 | pKd | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 10455255 | |||||
| 3795 | 2766 | 28 | None | 102 | 5 | Human | 9.3 | pKd | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 10455255 | |||||
| 5311311 | 2766 | 28 | None | 102 | 5 | Human | 9.3 | pKd | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 10455255 | |||||
| CHEMBL217406 | 2766 | 28 | None | 102 | 5 | Human | 9.3 | pKd | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 10455255 | |||||
| 104974 | 3475 | 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 | 3475 | 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 | 3475 | 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 | 3475 | 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 | 3475 | 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 | 197242 | 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 | 197242 | 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 | 197242 | 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 | 197242 | 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 | 197242 | 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 | 197242 | 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 | 216073 | 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 | 216073 | 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 | 197242 | 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 | 197242 | 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 | 216073 | 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 | 216073 | 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 | 216073 | 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 | 216073 | 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 | 216075 | 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 | 1508 | 77 | UNDEFINED | -9 | 30 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | |||
| 60835 | 1508 | 77 | UNDEFINED | -9 | 30 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | |||
| 972 | 1508 | 77 | UNDEFINED | -9 | 30 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | |||
| CHEMBL1175 | 1508 | 77 | UNDEFINED | -9 | 30 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | |||
| DB00476 | 1508 | 77 | UNDEFINED | -9 | 30 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | |||
| 5656 | 203066 | 87 | UNDEFINED | -7 | 40 | 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 | 203066 | 87 | UNDEFINED | -7 | 40 | 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 | 203127 | 52 | UNDEFINED | -1 | 27 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 255 | 6 | 1 | 2 | 3.7 | CNCC[C@@H](Oc1ccccc1C)c1ccccc1 | None | |||
| CHEMBL641 | 203127 | 52 | UNDEFINED | -1 | 27 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 255 | 6 | 1 | 2 | 3.7 | CNCC[C@@H](Oc1ccccc1C)c1ccccc1 | None | |||
| 3075702 | 217332 | 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 | 1841 | 48 | 3H-NEUROKININ A | -43651 | 26 | 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 | 1841 | 48 | 3H-NEUROKININ A | -43651 | 26 | 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 | 1841 | 48 | 3H-NEUROKININ A | -43651 | 26 | 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 | 2006 | 111 | 125I-NKA | -14454 | 45 | 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 | 2006 | 111 | 125I-NKA | -14454 | 45 | 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 | 2006 | 111 | 125I-NKA | -14454 | 45 | 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 | 2006 | 111 | 125I-NKA | -14454 | 45 | 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 | 2006 | 111 | 125I-NKA | -14454 | 45 | 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 | 3202 | 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 | 3202 | 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 | 3202 | 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 | 3202 | 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 | 3202 | 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 | 91835 | 10 | 3H-8-OH-DPAT | -66069 | 45 | Bovine | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 373 | 7 | 0 | 8 | 0.6 | COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 | None | |||
| CHEMBL2413154 | 91835 | 10 | 3H-8-OH-DPAT | -66069 | 45 | Bovine | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 373 | 7 | 0 | 8 | 0.6 | COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 | None | |||
| 44208932 | 140707 | 7 | UNDEFINED | -89125 | 36 | 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 | 140707 | 7 | UNDEFINED | -89125 | 36 | 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 | 216074 | 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 | 216128 | 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 | 216129 | 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 | 216493 | 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 | 3694 | 36 | 125I-[MePhe7]-NKB | -457 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 36511 | 3694 | 36 | 125I-[MePhe7]-NKB | -457 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 3805 | 3694 | 36 | 125I-[MePhe7]-NKB | -457 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 3835 | 3694 | 36 | 125I-[MePhe7]-NKB | -457 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL235363 | 3694 | 36 | 125I-[MePhe7]-NKB | -457 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 133090 | 98423 | 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 | 98423 | 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 | 98423 | 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 | 98423 | 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 | 216187 | 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 | 216072 | 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 | 216073 | 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 | 216075 | 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 | 216075 | 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 | 216075 | 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 | 216188 | 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 | 216075 | 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 | 216188 | 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 | 216075 | 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 | 216075 | 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 | 216188 | 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 | 198864 | 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 | 198864 | 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 | 188625 | 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 | 188625 | 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 | 919 | 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 | 919 | 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 | 919 | 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 | 919 | 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 | 919 | 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 | 40039 | 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 | 40039 | 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 | 1662 | 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 | 1662 | 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 | 1662 | 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 | 1662 | 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 | 1662 | 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 | 398 | 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 | 398 | 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 | 398 | 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 | 398 | 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 | 398 | 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 | 50221 | 42 | None | -36 | 10 | 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 | 50221 | 42 | None | -36 | 10 | 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 | 50221 | 42 | None | -36 | 10 | 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 | 4779 | 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 | 4779 | 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 | 160250 | 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 | 160250 | 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 | 199084 | 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 | 199084 | 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 | 9836 | 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 | 9836 | 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 | 166911 | 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 | 166911 | 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 | 166911 | 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 | 205513 | 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 | 205513 | 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 | 205513 | 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 | 10021 | 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 | 10021 | 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 | 15576 | 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 | 15576 | 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 | 15576 | 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 | 206922 | 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 | 206922 | 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 | 206922 | 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 | 100404 | 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 | 100404 | 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 | 88581 | 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 | 88581 | 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 | 88581 | 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 | 1289 | 71 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | None | None | None | None | None | |||||
| 162639143 | 1289 | 71 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | None | None | None | None | None | |||||
| 5284373 | 1289 | 71 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | None | None | None | None | None | |||||
| 760 | 1289 | 71 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | None | None | None | None | None | |||||
| CHEMBL160 | 1289 | 71 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | None | None | None | None | None | |||||
| DB00091 | 1289 | 71 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | None | None | None | None | None | |||||
| 3598 | 187821 | 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 | 187821 | 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 | 2496 | 52 | None | -165 | 42 | 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 | 2496 | 52 | None | -165 | 42 | 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 | 2496 | 52 | None | -165 | 42 | 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 | 2496 | 52 | None | -165 | 42 | 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 | 2496 | 52 | None | -165 | 42 | 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 | 3286 | 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 | 3286 | 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 | 3286 | 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 | 3286 | 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 | 3286 | 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 | 2592 | 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 | 2592 | 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 | 2592 | 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 | 2592 | 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 | 2592 | 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 | 3747 | 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 | 3747 | 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 | 3747 | 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 | 3747 | 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 | 3747 | 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 | 3747 | 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 | 17986 | 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 | 17986 | 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 | 17986 | 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 | 505 | 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 | 505 | 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 | 505 | 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 | 505 | 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 | 505 | 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 | 3779 | 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 | 3779 | 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 | 3779 | 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 | 3779 | 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 | 3779 | 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 | 56312 | 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 | 56312 | 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 | 11848 | 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 | 11848 | 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 | 11848 | 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 | 11848 | 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 | 102858 | 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 | 102858 | 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 | 176149 | 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 | 176149 | 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 | 176149 | 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 | 176149 | 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 | 195486 | 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 | 195486 | 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 | 195486 | 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 | 207099 | 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 | 207099 | 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 | 207099 | 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 | 19077 | 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 | 19077 | 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 | 197242 | 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 | 197242 | 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 | 216075 | 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 | 203483 | 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 | 203483 | 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 | 203483 | 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 | 4149 | 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 | 4149 | 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 | 4149 | 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 | 4149 | 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 | 1646 | 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 | 1646 | 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 | 1646 | 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 | 1920 | 0 | None | -28183 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | None | None | None | None | 11786503 | |||||
| 164286 | 3271 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | None | None | None | None | 7682062 | |||||
| 2118 | 3271 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | None | None | None | None | 7682062 | |||||
| 10327625 | 4124 | 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 | 4124 | 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 | 3744 | 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 | 3744 | 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 | 3744 | 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 | 2969 | 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 | 2969 | 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 | 2969 | 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 | 2969 | 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 | 2969 | 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 | 2969 | 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 | 2969 | 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 | 2969 | 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 | 2969 | 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 | 2969 | 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 | 2486 | 22 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | None | None | None | None | 7682062 | |||||
| 2116 | 2486 | 22 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | None | None | None | None | 7682062 | |||||
| CHEMBL507824 | 2486 | 22 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | None | None | None | None | 7682062 | |||||
| 2089 | 2766 | 28 | None | 102 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 11137709 | |||||
| 2089 | 2766 | 28 | None | 102 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 11786503 | |||||
| 2089 | 2766 | 28 | None | 102 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 7682062 | |||||
| 2089 | 2766 | 28 | None | 102 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 9190866 | |||||
| 3795 | 2766 | 28 | None | 102 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 11137709 | |||||
| 3795 | 2766 | 28 | None | 102 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 11786503 | |||||
| 3795 | 2766 | 28 | None | 102 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 7682062 | |||||
| 3795 | 2766 | 28 | None | 102 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 9190866 | |||||
| 5311311 | 2766 | 28 | None | 102 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 11137709 | |||||
| 5311311 | 2766 | 28 | None | 102 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 11786503 | |||||
| 5311311 | 2766 | 28 | None | 102 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 7682062 | |||||
| 5311311 | 2766 | 28 | None | 102 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 9190866 | |||||
| CHEMBL217406 | 2766 | 28 | None | 102 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 11137709 | |||||
| CHEMBL217406 | 2766 | 28 | None | 102 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 11786503 | |||||
| CHEMBL217406 | 2766 | 28 | None | 102 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 7682062 | |||||
| CHEMBL217406 | 2766 | 28 | None | 102 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 9190866 | |||||
| 2123 | 2764 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 16979621 | |||||
| 2123 | 2764 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 9484857 | |||||
| 3086682 | 2764 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 16979621 | |||||
| 3086682 | 2764 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 9484857 | |||||
| 2120 | 4121 | 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 | 4121 | 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 | 4150 | 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 | 4150 | 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 | 3524 | 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 | 3524 | 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 | 3524 | 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 | 2487 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 11063600 | |||||
| 5311274 | 2487 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 11063600 | |||||
| 104974 | 3475 | 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 | 3475 | 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 | 3475 | 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 | 3475 | 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 | 3475 | 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 | 3475 | 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 | 3475 | 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 | 3475 | 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 | 3475 | 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 | 3475 | 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 | 3475 | 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 | 3475 | 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 | 3475 | 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 | 3475 | 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 | 3475 | 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 | 3475 | 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 | 3475 | 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 | 3475 | 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 | 3475 | 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 | 3475 | 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 | 1857 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | Guide to Pharmacology | None | None | None | None | 8027981 | |||||
| 6324620 | 1857 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | Guide to Pharmacology | None | None | None | None | 8027981 | |||||
| 10483085 | 4122 | 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 | 4122 | 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 | 1968 | 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 | 1968 | 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 | 1968 | 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 | 1968 | 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 | 2767 | 25 | None | -38 | 4 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 7682062 | |||||
| 2090 | 2767 | 25 | None | -38 | 4 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9190866 | |||||
| 5311312 | 2767 | 25 | None | -38 | 4 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 7682062 | |||||
| 5311312 | 2767 | 25 | None | -38 | 4 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9190866 | |||||
| CHEMBL437797 | 2767 | 25 | None | -38 | 4 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 7682062 | |||||
| CHEMBL437797 | 2767 | 25 | None | -38 | 4 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9190866 | |||||
| 2098 | 3694 | 36 | None | -457 | 6 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 11786503 | |||||
| 2098 | 3694 | 36 | None | -457 | 6 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 7682062 | |||||
| 2098 | 3694 | 36 | None | -457 | 6 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9190866 | |||||
| 36511 | 3694 | 36 | None | -457 | 6 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 11786503 | |||||
| 36511 | 3694 | 36 | None | -457 | 6 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 7682062 | |||||
| 36511 | 3694 | 36 | None | -457 | 6 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9190866 | |||||
| 3805 | 3694 | 36 | None | -457 | 6 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 11786503 | |||||
| 3805 | 3694 | 36 | None | -457 | 6 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 7682062 | |||||
| 3805 | 3694 | 36 | None | -457 | 6 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9190866 | |||||
| 3835 | 3694 | 36 | None | -457 | 6 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 11786503 | |||||
| 3835 | 3694 | 36 | None | -457 | 6 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 7682062 | |||||
| 3835 | 3694 | 36 | None | -457 | 6 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9190866 | |||||
| CHEMBL235363 | 3694 | 36 | None | -457 | 6 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 11786503 | |||||
| CHEMBL235363 | 3694 | 36 | None | -457 | 6 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 7682062 | |||||
| CHEMBL235363 | 3694 | 36 | None | -457 | 6 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9190866 | |||||
| 2113 | 3094 | 0 | None | -199 | 3 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | None | None | None | None | 9190866 | |||||
| 2106 | 3546 | 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 | 3546 | 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 | 3546 | 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 | |||