Ligand source activities (1 row/activity)
Ligands | Receptor | Assay information | Chemical information | ||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sel. page | Common name |
GPCRdb ID | #Vendors | Reference ligand |
Fold selectivity (Potency) |
# tested GPCRs (Potency) |
Species | p-value (-log) |
Type | Activity Relation |
Activity Value |
Assay Type | Assay Description | Source | Mol weight |
Rot Bonds |
H don | H acc | LogP | Smiles | DOI |
15931130 | 101511 | 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 | 101511 | 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 | 101574 | 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 | 101574 | 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 | 2725 | 21 | None | -3 | 8 | Rat | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm900671k | ||||
3795 | 2725 | 21 | None | -3 | 8 | Rat | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm900671k | ||||
5311311 | 2725 | 21 | None | -3 | 8 | Rat | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm900671k | ||||
CHEMBL217406 | 2725 | 21 | None | -3 | 8 | Rat | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm900671k | ||||
2098 | 3638 | 31 | None | -63 | 11 | Rat | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00169a003 | ||||
36511 | 3638 | 31 | None | -63 | 11 | Rat | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00169a003 | ||||
3805 | 3638 | 31 | None | -63 | 11 | Rat | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00169a003 | ||||
3835 | 3638 | 31 | None | -63 | 11 | Rat | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00169a003 | ||||
CHEMBL235363 | 3638 | 31 | None | -63 | 11 | Rat | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00169a003 | ||||
44355179 | 24144 | 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 | 24144 | 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 | 2725 | 21 | None | -3 | 8 | Rat | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00100a027 | ||||
3795 | 2725 | 21 | None | -3 | 8 | Rat | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00100a027 | ||||
5311311 | 2725 | 21 | None | -3 | 8 | Rat | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00100a027 | ||||
CHEMBL217406 | 2725 | 21 | None | -3 | 8 | Rat | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00100a027 | ||||
73356363 | 89074 | 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 | 89074 | 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 | 95978 | 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 | 95978 | 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 | 116236 | 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 | 116236 | 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 | 156595 | 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 | 156595 | 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 | 23286 | 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 | 23286 | 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 | 24059 | 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 | 24059 | 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 | 3638 | 31 | None | -63 | 11 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00100a027 | ||||
36511 | 3638 | 31 | None | -63 | 11 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00100a027 | ||||
3805 | 3638 | 31 | None | -63 | 11 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00100a027 | ||||
3835 | 3638 | 31 | None | -63 | 11 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00100a027 | ||||
CHEMBL235363 | 3638 | 31 | None | -63 | 11 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00100a027 | ||||
2098 | 3638 | 31 | None | -63 | 11 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00169a003 | ||||
36511 | 3638 | 31 | None | -63 | 11 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00169a003 | ||||
3805 | 3638 | 31 | None | -63 | 11 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00169a003 | ||||
3835 | 3638 | 31 | None | -63 | 11 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00169a003 | ||||
CHEMBL235363 | 3638 | 31 | None | -63 | 11 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00169a003 | ||||
73348740 | 89076 | 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 | 89076 | 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 | 100153 | 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 | 100153 | 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 | 116157 | 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 | 116157 | 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 | 2726 | 20 | None | -6 | 9 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00100a027 | ||||
5311312 | 2726 | 20 | None | -6 | 9 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00100a027 | ||||
CHEMBL437797 | 2726 | 20 | None | -6 | 9 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00100a027 | ||||
CHEMBL335054 | 209734 | 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 | 21523 | 10 | 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 | 21523 | 10 | 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 | 206987 | 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 | 96676 | 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 | 96676 | 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 | 116659 | 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 | 116659 | 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 | 21588 | 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 | 21588 | 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 | 101239 | 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 | 101239 | 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 | 25437 | 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 | 25437 | 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 | 2725 | 21 | None | -3 | 8 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm900671k | ||||
3795 | 2725 | 21 | None | -3 | 8 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm900671k | ||||
5311311 | 2725 | 21 | None | -3 | 8 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm900671k | ||||
CHEMBL217406 | 2725 | 21 | None | -3 | 8 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm900671k | ||||
15931129 | 193308 | 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 | 193308 | 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 | 98550 | 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 | 98550 | 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 | 95977 | 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 | 95977 | 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 | 115010 | 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 | 115010 | 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 | 162040 | 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 | 162040 | 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 | 161835 | 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 | 161835 | 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 | 205871 | 0 | 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 | 205871 | 0 | 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 | 161544 | 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 | 161544 | 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 | 211274 | 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 | 161705 | 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 | 161705 | 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 | 2725 | 21 | None | -3 | 8 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1016/S0960-894X(97)00088-7 | ||||
3795 | 2725 | 21 | None | -3 | 8 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1016/S0960-894X(97)00088-7 | ||||
5311311 | 2725 | 21 | None | -3 | 8 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1016/S0960-894X(97)00088-7 | ||||
CHEMBL217406 | 2725 | 21 | None | -3 | 8 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1016/S0960-894X(97)00088-7 | ||||
CHEMBL264972 | 208888 | 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 | 112171 | 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 | 112171 | 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 | 112171 | 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 | 167811 | 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 | 167811 | 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 | 6693 | 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 | 6693 | 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 | 129651 | 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 | 129651 | 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 | 167747 | 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 | 167747 | 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 | 122028 | 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 | 122028 | 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 | 114337 | 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 | 114337 | 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 | 78488 | 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 | 78488 | 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 | 64888 | 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 | 64888 | 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 | 78485 | 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 | 78485 | 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 | 167605 | 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 | 167605 | 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 | 54508 | 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 | 54508 | 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 | 78486 | 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 | 78486 | 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 | 66069 | 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 | 66069 | 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 | 66376 | 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 | 66376 | 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 | 65999 | 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 | 65999 | 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 | 121614 | 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 | 121614 | 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 | 126538 | 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 | 126538 | 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 | 126538 | 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 | 126538 | 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 | 66023 | 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 | 66023 | 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 | 15099 | 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 | 15099 | 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 | 122431 | 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 | 122431 | 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 | 129132 | 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 | 129132 | 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 | 181044 | 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 | 181044 | 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 | 4154 | 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 | 4154 | 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 | 168698 | 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 | 168698 | 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 | 48858 | 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 | 48858 | 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 | 201996 | 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 | 201996 | 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 | 140991 | 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 | 140991 | 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 | 106251 | 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 | 106251 | 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 | 106275 | 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 | 106275 | 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 | 211337 | 0 | None | - | 0 | Golden hamster | 4.0 | pKd | = | 4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00014a022 | ||||
CHEMBL217365 | 207629 | 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 | 208798 | 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 | 208855 | 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 | 209576 | 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 | 211263 | 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 | 211337 | 0 | None | - | 0 | Rabbit | 4.0 | pKd | = | 4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00014a022 | ||||
44346487 | 113631 | 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 | 113631 | 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 | 167606 | 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 | 167606 | 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 | 210863 | 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 | 163626 | 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 | 163626 | 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 | 207599 | 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 | 113997 | 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 | 113997 | 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 | 210907 | 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 | 199788 | 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 | 199788 | 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 | 15280 | 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 | 15280 | 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 | 210610 | 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 | 101644 | 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 | 101644 | 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 | 106266 | 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 | 106266 | 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 | 211228 | 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 | 106271 | 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 | 106271 | 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 | 106267 | 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 | 106267 | 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 | 106272 | 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 | 106272 | 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 | 113754 | 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 | 113754 | 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 | 165831 | 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 | 165831 | 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 | 208843 | 0 | None | - | 0 | Rabbit | 4.9 | pKd | = | 4.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00014a022 | ||||
CHEMBL385914 | 210622 | 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 | 212084 | 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 | 208975 | 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 | 209576 | 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 | 210660 | 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 | 163636 | 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 | 163636 | 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 | 208975 | 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 | 209576 | 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 | 114337 | 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 | 114337 | 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 | 201823 | 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 | 201823 | 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 | 163626 | 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 | 163626 | 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 | 212084 | 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 | 207629 | 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 | 101890 | 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 | 101890 | 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 | 211774 | 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 | 212083 | 18 | 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 | 106265 | 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 | 106265 | 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 | 106270 | 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 | 106270 | 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 | 106273 | 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 | 106273 | 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 | 210610 | 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 | 212084 | 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 | 209014 | 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 | 209014 | 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 | 211263 | 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 | 208843 | 0 | None | - | 0 | Golden hamster | 4.8 | pKd | = | 4.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00014a022 | ||||
44347002 | 112336 | 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 | 112336 | 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 | 212040 | 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 | 202075 | 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 | 202075 | 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 | 211263 | 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 | 208856 | 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 | 212133 | 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 | 212040 | 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 | 68025 | 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 | 68025 | 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 | 50759 | 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 | 50759 | 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 | 106274 | 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 | 106274 | 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 | 2240 | 14 | 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 | 2240 | 14 | 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 | 2240 | 14 | 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 | 119629 | 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 | 119629 | 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 | 119713 | 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 | 119713 | 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 | 106249 | 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 | 106249 | 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 | 112685 | 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 | 112685 | 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 | 52451 | 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 | 52451 | 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 | 121820 | 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 | 121820 | 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 | 211774 | 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 | 208856 | 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 | 15280 | 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 | 15280 | 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 | 209653 | 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 | 208855 | 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 | 102278 | 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 | 102278 | 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 | 211774 | 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 | 207629 | 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 | 208941 | 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 | 211283 | 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 | 211228 | 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 | 210622 | 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 | 78489 | 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 | 78489 | 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 | 119090 | 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 | 119090 | 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 | 66351 | 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 | 66351 | 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 | 113997 | 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 | 113997 | 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 | 48794 | 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 | 48794 | 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 | 4155 | 0 | 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 | 4155 | 0 | 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 | 52615 | 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 | 52615 | 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 | 118986 | 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 | 118986 | 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 | 211283 | 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 | 113624 | 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 | 113624 | 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 | 163636 | 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 | 163636 | 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 | 9083 | 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 | 9083 | 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 | 208855 | 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 | 162469 | 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 | 162469 | 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 | 207599 | 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 | 208975 | 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 | 210907 | 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 | 210622 | 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 | 167605 | 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 | 167605 | 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 | 208941 | 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 | 210660 | 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 | 102123 | 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 | 102123 | 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 | 196998 | 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 | 196998 | 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 | 201940 | 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 | 201940 | 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 | 101003 | 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 | 101003 | 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 | 165831 | 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 | 165831 | 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 | 210863 | 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 | 208798 | 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 | 15099 | 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 | 15099 | 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 | 211283 | 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 | 208843 | 0 | None | - | 0 | Rat | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00014a022 | ||||
CHEMBL441181 | 212133 | 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 | 167935 | 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 | 167935 | 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 | 51285 | 13 | 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 | 51285 | 13 | 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 | 103304 | 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 | 103304 | 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 | 201793 | 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 | 201793 | 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 | 201842 | 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 | 201842 | 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 | 201862 | 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 | 201862 | 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 | 201881 | 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 | 201881 | 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 | 202090 | 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 | 202090 | 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 | 55099 | 34 | 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 | 55099 | 34 | 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 | 112685 | 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 | 112685 | 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 | 4941 | 5 | 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 | 4941 | 5 | 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 | 208941 | 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 | 209547 | 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 | 209653 | 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 | 54564 | 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 | 54564 | 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 | 78487 | 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 | 78487 | 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 | 63222 | 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 | 63222 | 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 | 113754 | 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 | 113754 | 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 | 170777 | 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 | 170777 | 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 | 68024 | 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 | 68024 | 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 | 168628 | 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 | 168628 | 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 | 168628 | 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 | 212040 | 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 | 207599 | 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 | 2207 | 51 | 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 | 2207 | 51 | 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 | 2207 | 51 | 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 | 210907 | 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 | 208856 | 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 | 212133 | 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 | 113631 | 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 | 113631 | 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 | 167606 | 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 | 167606 | 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 | 119558 | 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 | 119558 | 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 | 209547 | 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 | 210610 | 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 | 112336 | 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 | 112336 | 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 | 140991 | 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 | 140991 | 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 | 210863 | 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 | 210660 | 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 | 209547 | 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 | 211228 | 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 | 211337 | 0 | None | - | 0 | Rat | 5.0 | pKd | = | 5.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00014a022 | ||||
44434204 | 153034 | 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 | 153034 | 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 | 166128 | 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 | 166128 | 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 | 88972 | 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 | 88972 | 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 | 148694 | 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 | 148694 | 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 | 89009 | 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 | 89009 | 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 | 148695 | 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 | 148695 | 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 | 149304 | 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 | 149304 | 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 | 151638 | 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 | 151638 | 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 | 91802 | 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 | 91802 | 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 | 149291 | 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 | 149291 | 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 | 1824 | 0 | None | - | 1 | Rat | 8.4 | pEC50 | = | 8.4 | Functional | Guide to Pharmacology | None | None | None | None | 1331460 | ||||
2091 | 2755 | 0 | None | 223 | 2 | Guinea pig | 8.8 | pEC50 | = | 8.8 | Functional | Guide to Pharmacology | None | None | None | None | 1311427 | ||||
2089 | 2725 | 21 | None | -1 | 8 | Guinea pig | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | None | None | None | None | 2426129 | ||||
3795 | 2725 | 21 | None | -1 | 8 | Guinea pig | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | None | None | None | None | 2426129 | ||||
5311311 | 2725 | 21 | None | -1 | 8 | Guinea pig | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | None | None | None | None | 2426129 | ||||
CHEMBL217406 | 2725 | 21 | None | -1 | 8 | Guinea pig | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | None | None | None | None | 2426129 | ||||
16132172 | 2752 | 0 | None | - | 1 | Guinea pig | 9.5 | pEC50 | = | 9.5 | Functional | Guide to Pharmacology | None | None | None | None | 1311427 | ||||
3667 | 2752 | 0 | None | - | 1 | Guinea pig | 9.5 | pEC50 | = | 9.5 | Functional | Guide to Pharmacology | None | None | None | None | 1311427 | ||||
30699 | 215969 | 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 | 3419 | 27 | 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 | 3419 | 27 | 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 | 3419 | 27 | 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 | 3419 | 27 | 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 | 3419 | 27 | 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 | 2404 | 0 | None | - | 1 | Rat | 9.1 | pIC50 | = | 9.1 | Functional | Guide to Pharmacology | None | None | None | None | 9718274 |
Ligands | Receptor | Assay information | Chemical information | ||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sel. page | Common name |
GPCRdb ID | #Vendors | Reference ligand |
Fold selectivity (Affinity) |
# tested GPCRs (Affinity) |
Species | p-value (-log) |
Type | Activity Relation |
Activity Value |
Assay Type | Assay Description | Source | Mol weight |
Rot Bonds |
H don | H acc | LogP | Smiles | DOI |
124003 | 2451 | 17 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | None | None | None | None | 10.1021/np058114h | ||||
2116 | 2451 | 17 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | None | None | None | None | 10.1021/np058114h | ||||
CHEMBL507824 | 2451 | 17 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | None | None | None | None | 10.1021/np058114h | ||||
CHEMBL334721 | 209653 | 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 | 3419 | 27 | 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 | 3419 | 27 | 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 | 3419 | 27 | 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 | 3419 | 27 | 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 | 3419 | 27 | 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 | 124273 | 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 | 124273 | 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 | 124274 | 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 | 124274 | 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 | 124276 | 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 | 124276 | 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 | 124269 | 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 | 124269 | 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 | 124277 | 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 | 124277 | 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 | 124271 | 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 | 124271 | 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 | 124267 | 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 | 124267 | 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 | 124275 | 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 | 124275 | 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 | 124278 | 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 | 124278 | 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 | 64888 | 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 | 64888 | 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 | 124270 | 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 | 124270 | 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 | 3419 | 27 | 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 | 3419 | 27 | 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 | 3419 | 27 | 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 | 3419 | 27 | 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 | 3419 | 27 | 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 | 124260 | 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 | 124260 | 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 | 159882 | 50 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 290 | 6 | 0 | 3 | 4.1 | CCOc1cc(C=O)ccc1OCc1ccc(Cl)cc1 | nan | ||
CHEMBL4111499 | 159882 | 50 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 290 | 6 | 0 | 3 | 4.1 | CCOc1cc(C=O)ccc1OCc1ccc(Cl)cc1 | nan | ||
68932391 | 124268 | 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 | 124268 | 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 | 124266 | 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 | 124266 | 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 | 66376 | 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 | 66376 | 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 | 3419 | 27 | 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 | 3419 | 27 | 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 | 3419 | 27 | 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 | 3419 | 27 | 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 | 3419 | 27 | 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 | 124272 | 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 | 124272 | 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 | 2725 | 21 | None | - | 5 | Golden hamster | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00099a024 | ||||
3795 | 2725 | 21 | None | - | 5 | Golden hamster | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00099a024 | ||||
5311311 | 2725 | 21 | None | - | 5 | Golden hamster | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00099a024 | ||||
CHEMBL217406 | 2725 | 21 | None | - | 5 | Golden hamster | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00099a024 | ||||
10033398 | 116789 | 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 | 116789 | 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 | 167747 | 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 | 167747 | 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 | 124263 | 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 | 124263 | 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 | 161019 | 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 | 161019 | 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 | 66069 | 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 | 66069 | 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 | 167811 | 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 | 167811 | 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 | 2725 | 21 | None | 102 | 5 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | ||||
3795 | 2725 | 21 | None | 102 | 5 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | ||||
5311311 | 2725 | 21 | None | 102 | 5 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | ||||
CHEMBL217406 | 2725 | 21 | None | 102 | 5 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | ||||
71699791 | 124264 | 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 | 124264 | 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 | 17907 | 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 | 17907 | 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 | 121820 | 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 | 121820 | 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 | 13592 | 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 | 13592 | 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 | 13592 | 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 | 125924 | 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 | 125924 | 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 | 158073 | 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 | 158073 | 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 | 77900 | 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 | 77900 | 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 | 4711 | 96 | None | -28 | 34 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | ||
CHEMBL104 | 4711 | 96 | None | -28 | 34 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | ||
2090 | 2726 | 20 | None | -38 | 4 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | ||||
5311312 | 2726 | 20 | None | -38 | 4 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | ||||
CHEMBL437797 | 2726 | 20 | None | -38 | 4 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | ||||
10010429 | 18852 | 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 | 18852 | 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 | 15160 | 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 | 15160 | 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 | 206716 | 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 | 201198 | 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 | 201198 | 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 | 117674 | 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 | 117674 | 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 | 169337 | 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 | 169337 | 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 | 167464 | 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 | 167464 | 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 | 208524 | 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 | 120286 | 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 | 120286 | 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 | 117834 | 1 | 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 | 117834 | 1 | 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 | 125925 | 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 | 125925 | 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 | 59632 | 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 | 59632 | 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 | 105663 | 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 | 105663 | 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 | 125926 | 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 | 125926 | 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 | 208523 | 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 | 79274 | 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 | 79274 | 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 | 78133 | 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 | 78133 | 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 | 202363 | 69 | 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 | 202363 | 69 | 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 | 106273 | 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 | 106273 | 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 | 129252 | 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 | 129252 | 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 | 57274 | 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 | 57274 | 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 | 208520 | 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 | 157394 | 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 | 157394 | 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 | 209893 | 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 | 212210 | 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 | 202978 | 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 | 202978 | 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 | 101911 | 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 | 101911 | 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 | 160962 | 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 | 160962 | 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 | 203016 | 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 | 203016 | 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 | 106267 | 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 | 106267 | 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 | 167733 | 49 | 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 | 167733 | 49 | 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 | 18886 | 34 | 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 | 18886 | 34 | 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 | 3638 | 31 | None | - | 6 | Golden hamster | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00099a024 | ||||
36511 | 3638 | 31 | None | - | 6 | Golden hamster | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00099a024 | ||||
3805 | 3638 | 31 | None | - | 6 | Golden hamster | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00099a024 | ||||
3835 | 3638 | 31 | None | - | 6 | Golden hamster | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00099a024 | ||||
CHEMBL235363 | 3638 | 31 | None | - | 6 | Golden hamster | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00099a024 | ||||
11038500 | 63222 | 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 | 63222 | 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 | 65999 | 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 | 65999 | 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 | 178480 | 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 | 178480 | 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 | 178480 | 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 | 178480 | 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 | 205370 | 82 | 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 | 205370 | 82 | 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 | 205370 | 82 | 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 | 106065 | 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 | 106065 | 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 | 106613 | 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 | 106613 | 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 | 60958 | 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 | 60958 | 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 | 209083 | 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 | 193814 | 39 | 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 | 193814 | 39 | 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 | 193814 | 39 | 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 | 15435 | 4 | 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 | 15435 | 4 | 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 | 209231 | 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 | 78165 | 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 | 78165 | 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 | 19199 | 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 | 19199 | 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 | 209890 | 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 | 202439 | 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 | 202439 | 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 | 175575 | 19 | 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 | 175575 | 19 | 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 | 175575 | 19 | 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 | 175575 | 19 | 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 | 201277 | 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 | 201277 | 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 | 4865 | 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 | 4865 | 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 | 106267 | 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 | 106267 | 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 | 106621 | 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 | 106621 | 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 | 11876 | 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 | 11876 | 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 | 11876 | 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 | 11876 | 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 | 11876 | 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 | 210874 | 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 | 49951 | 38 | None | -36 | 11 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
76973198 | 49951 | 38 | None | -36 | 11 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
CHEMBL157101 | 49951 | 38 | None | -36 | 11 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
44444681 | 93937 | 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 | 93937 | 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 | 70774 | 73 | None | -2 | 10 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 206 | 7 | 1 | 1 | 4.3 | CCCCCCCCc1ccc(O)cc1 | nan | ||
CHEMBL195437 | 70774 | 73 | None | -2 | 10 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 206 | 7 | 1 | 1 | 4.3 | CCCCCCCCc1ccc(O)cc1 | nan | ||
10258592 | 98750 | 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 | 98750 | 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 | 2726 | 20 | None | - | 4 | Golden hamster | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00099a024 | ||||
5311312 | 2726 | 20 | None | - | 4 | Golden hamster | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00099a024 | ||||
CHEMBL437797 | 2726 | 20 | None | - | 4 | Golden hamster | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00099a024 | ||||
15391369 | 102355 | 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 | 102355 | 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 | 15158 | 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 | 15158 | 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 | 203991 | 3 | 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 | 203991 | 3 | 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 | 208525 | 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 | 78167 | 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 | 78167 | 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 | 106249 | 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 | 106249 | 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 | 61025 | 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 | 61025 | 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 | 4985 | 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 | 4985 | 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 | 204129 | 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 | 204129 | 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 | 211446 | 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 | 11743 | 21 | 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 | 11743 | 21 | 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 | 11743 | 21 | 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 | 11743 | 21 | 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 | 18731 | 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 | 18731 | 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 | 394 | 63 | 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 | 394 | 63 | 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 | 394 | 63 | 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 | 394 | 63 | 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 | 394 | 63 | 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 | 102385 | 93 | 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 | 102385 | 93 | 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 | 210174 | 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 | 125923 | 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 | 125923 | 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 | 124262 | 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 | 124262 | 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 | 12978 | 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 | 12978 | 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 | 12978 | 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 | 13600 | 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 | 13600 | 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 | 13600 | 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 | 98645 | 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 | 98645 | 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 | 124265 | 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 | 124265 | 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 | 132235 | 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 | 132235 | 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 | 124261 | 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 | 124261 | 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 | 125928 | 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 | 125928 | 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 | 57215 | 23 | 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 | 57215 | 23 | 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 | 208666 | 13 | 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 | 98674 | 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 | 98674 | 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 | 66023 | 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 | 66023 | 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 | 3638 | 31 | None | - | 6 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00037a009 | ||||
36511 | 3638 | 31 | None | - | 6 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00037a009 | ||||
3805 | 3638 | 31 | None | - | 6 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00037a009 | ||||
3835 | 3638 | 31 | None | - | 6 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00037a009 | ||||
CHEMBL235363 | 3638 | 31 | None | - | 6 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00037a009 | ||||
44335410 | 4931 | 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 | 4931 | 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 | 96742 | 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 | 96742 | 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 | 203991 | 3 | 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 | 203991 | 3 | 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 | 202723 | 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 | 202723 | 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 | 125226 | 16 | 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 | 125226 | 16 | 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 | 203010 | 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 | 203010 | 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 | 199109 | 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 | 199109 | 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 | 1632 | 45 | 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 | 1632 | 45 | 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 | 1632 | 45 | 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 | 1632 | 45 | 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 | 1632 | 45 | 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 | 106524 | 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 | 106524 | 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 | 4918 | 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 | 4918 | 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 | 106863 | 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 | 106863 | 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 | 4918 | 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 | 4918 | 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 | 102437 | 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 | 102437 | 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 | 188300 | 0 | None | -1122 | 5 | 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 | 188300 | 0 | None | -1122 | 5 | 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 | 3530 | 19 | 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 | 3530 | 19 | 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 | 3530 | 19 | 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 | 3530 | 19 | 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 | 106251 | 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 | 106251 | 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 | 3638 | 31 | None | -457 | 6 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | ||||
36511 | 3638 | 31 | None | -457 | 6 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | ||||
3805 | 3638 | 31 | None | -457 | 6 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | ||||
3835 | 3638 | 31 | None | -457 | 6 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | ||||
CHEMBL235363 | 3638 | 31 | None | -457 | 6 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | ||||
44379971 | 58445 | 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 | 58445 | 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 | 102379 | 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 | 102379 | 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 | 4477 | 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 | 4477 | 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 | 174992 | 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 | 174992 | 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 | 56019 | 94 | 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 | 56019 | 94 | 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 | 39799 | 48 | 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 | 39799 | 48 | 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 | 3720 | 73 | 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 | 3720 | 73 | 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 | 3720 | 73 | 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 | 3720 | 73 | 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 | 3720 | 73 | 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 | 202943 | 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 | 202943 | 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 | 207489 | 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 | 906 | 64 | None | -125 | 72 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
621 | 906 | 64 | None | -125 | 72 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
83 | 906 | 64 | None | -125 | 72 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
CHEMBL71 | 906 | 64 | None | -125 | 72 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
DB00477 | 906 | 64 | None | -125 | 72 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
10055928 | 116125 | 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 | 116125 | 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 | 204352 | 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 | 204352 | 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 | 99958 | 3 | 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 | 99958 | 3 | 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 | 79109 | 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 | 79109 | 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 | 189068 | 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 | 189068 | 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 | 188040 | 92 | 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 | 188040 | 92 | 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 | 207523 | 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 | 207939 | 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 | 197186 | 57 | 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 | 197186 | 57 | 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 | 502 | 77 | None | -44 | 41 | 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 | 502 | 77 | None | -44 | 41 | 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 | 502 | 77 | None | -44 | 41 | 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 | 502 | 77 | None | -44 | 41 | 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 | 502 | 77 | None | -44 | 41 | 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 | 79287 | 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 | 79287 | 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 | 106593 | 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 | 106593 | 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 | 129651 | 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 | 129651 | 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 | 138003 | 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 | 138003 | 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 | 208666 | 13 | 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 | 156055 | 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 | 156055 | 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 | 2726 | 20 | None | - | 4 | Golden hamster | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm950892r | ||||
5311312 | 2726 | 20 | None | - | 4 | Golden hamster | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm950892r | ||||
CHEMBL437797 | 2726 | 20 | None | - | 4 | Golden hamster | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm950892r | ||||
44319308 | 105897 | 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 | 105897 | 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 | 96781 | 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 | 96781 | 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 | 126538 | 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 | 126538 | 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 | 201125 | 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 | 201125 | 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 | 201125 | 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 | 201125 | 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 | 211878 | 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 | 79181 | 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 | 79181 | 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 | 174236 | 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 | 174236 | 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 | 17803 | 41 | 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 | 17803 | 41 | 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 | 17803 | 41 | 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 | 100280 | 4 | 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 | 100280 | 4 | 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 | 209353 | 15 | 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 | 59673 | 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 | 59673 | 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 | 206712 | 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 | 168594 | 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 | 168594 | 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 | 210861 | 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 | 3690 | 75 | 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 | 3690 | 75 | 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 | 3690 | 75 | 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 | 3690 | 75 | 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 | 3690 | 75 | 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 | 3690 | 75 | 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 | 206718 | 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 | 207522 | 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 | 2554 | 56 | 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 | 2554 | 56 | 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 | 2554 | 56 | 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 | 2554 | 56 | 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 | 2554 | 56 | 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 | 106273 | 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 | 106273 | 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 | 97825 | 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 | 97825 | 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 | 207596 | 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 | 2207 | 51 | 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 | 2207 | 51 | 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 | 2207 | 51 | 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 | 3234 | 60 | 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 | 3234 | 60 | 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 | 3234 | 60 | 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 | 3234 | 60 | 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 | 3234 | 60 | 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 | 61034 | 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 | 61034 | 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 | 13585 | 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 | 13585 | 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 | 13585 | 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 | 2460 | 48 | 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 | 2460 | 48 | 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 | 2460 | 48 | 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 | 2460 | 48 | 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 | 2460 | 48 | 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 | 210802 | 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 | 15157 | 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 | 15157 | 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 | 1263 | 69 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | None | None | None | None | nan | ||||
162639143 | 1263 | 69 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | None | None | None | None | nan | ||||
5284373 | 1263 | 69 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | None | None | None | None | nan | ||||
760 | 1263 | 69 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | None | None | None | None | nan | ||||
CHEMBL160 | 1263 | 69 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | None | None | None | None | nan | ||||
DB00091 | 1263 | 69 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | None | None | None | None | nan | ||||
3598 | 187238 | 73 | 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 | 187238 | 73 | 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 | 125927 | 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 | 125927 | 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 | 130936 | 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 | 130936 | 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 | 123893 | 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 | 123893 | 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 | 102484 | 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 | 102484 | 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 | 120960 | 3 | 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 | 120960 | 3 | 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 | 78168 | 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 | 78168 | 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 | 9996 | 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 | 9996 | 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 | 106249 | 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 | 106249 | 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 | 101063 | 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 | 101063 | 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 | 211127 | 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 | 168421 | 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 | 168421 | 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 | 202874 | 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 | 202874 | 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 | 45504 | 56 | None | -1 | 5 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 220 | 8 | 1 | 1 | 4.7 | CCCCCCCCCc1ccc(O)cc1 | nan | ||
CHEMBL153062 | 45504 | 56 | None | -1 | 5 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 220 | 8 | 1 | 1 | 4.7 | CCCCCCCCCc1ccc(O)cc1 | nan | ||
1548953 | 205945 | 24 | 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 | 205945 | 24 | 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 | 14341 | 0 | None | 1 | 4 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | None | None | None | None | nan | ||||
CHEMBL2112245 | 207488 | 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 | 106251 | 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 | 106251 | 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 | 104365 | 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 | 104365 | 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 | 99938 | 84 | 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 | 99938 | 84 | 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 | 205195 | 91 | 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 | 205195 | 91 | 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 | 205195 | 91 | 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 | 106275 | 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 | 106275 | 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 | 70728 | 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 | 70728 | 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 | 3010 | 33 | 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 | 3010 | 33 | 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 | 3010 | 33 | 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 | 3010 | 33 | 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 | 208869 | 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 | 15400 | 44 | 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 | 15400 | 44 | 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 | 15400 | 44 | 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 | 4941 | 5 | 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 | 4941 | 5 | 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 | 107024 | 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 | 107024 | 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 | 190792 | 9 | 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 | 190792 | 9 | 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 | 116794 | 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 | 116794 | 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 | 96908 | 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 | 96908 | 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 | 2664 | 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 | 2664 | 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 | 2664 | 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 | 101774 | 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 | 101774 | 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 | 100669 | 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 | 100669 | 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 | 201385 | 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 | 201385 | 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 | 9926 | 58 | 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 | 9926 | 58 | 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 | 9735 | 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 | 9735 | 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 | 208500 | 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 | 109172 | 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 | 109172 | 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 | 11898 | 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 | 11898 | 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 | 130094 | 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 | 130094 | 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 | 207510 | 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 | 176306 | 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 | 176306 | 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 | 131408 | 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 | 131408 | 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 | 4796 | 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 | 4796 | 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 | 121029 | 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 | 121029 | 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 | 59484 | 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 | 59484 | 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 | 138750 | 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 | 138750 | 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 | 162366 | 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 | 162366 | 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 | 116973 | 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 | 116973 | 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 | 207511 | 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 | 105043 | 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 | 105043 | 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 | 79139 | 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 | 79139 | 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 | 99027 | 94 | None | -2 | 4 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 272 | 1 | 0 | 2 | 4.6 | O=c1cc(-c2ccccc2)oc2c1ccc1ccccc12 | nan | ||
CHEMBL283196 | 99027 | 94 | None | -2 | 4 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 272 | 1 | 0 | 2 | 4.6 | O=c1cc(-c2ccccc2)oc2c1ccc1ccccc12 | nan | ||
73265456 | 125929 | 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 | 125929 | 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 | 79208 | 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 | 79208 | 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 | 119993 | 2 | 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 | 119993 | 2 | 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 | 206925 | 17 | 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 | 202672 | 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 | 202672 | 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 | 202688 | 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 | 202688 | 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 | 129132 | 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 | 129132 | 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 | 202219 | 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 | 202219 | 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 | 96700 | 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 | 96700 | 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 | 103307 | 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 | 103307 | 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 | 102593 | 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 | 102593 | 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 | 202384 | 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 | 202384 | 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 | 119339 | 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 | 119339 | 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 | 102301 | 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 | 102301 | 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 | 202657 | 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 | 202657 | 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 | 100707 | 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 | 100707 | 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 | 61051 | 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 | 61051 | 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 | 4706 | 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 | 4706 | 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 | 208521 | 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 | 203802 | 73 | 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 | 203802 | 73 | 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 | 203802 | 73 | 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 | 166358 | 71 | 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 | 166358 | 71 | 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 | 166358 | 71 | 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 | 100942 | 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 | 100942 | 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 | 100757 | 1 | 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 | 100757 | 1 | 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 | 9743 | 53 | 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 | 9743 | 53 | 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 | 209234 | 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 | 106274 | 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 | 106274 | 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 | 106274 | 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 | 106274 | 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 | 2981 | 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 | 2981 | 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 | 2981 | 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 | 2981 | 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 | 2981 | 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 | 2981 | 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 | 5036 | 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 | 5036 | 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 | 15159 | 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 | 15159 | 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 | 211096 | 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 | 197406 | 29 | 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 | 197406 | 29 | 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 | 210814 | 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 | 44310 | 1 | 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 | 44310 | 1 | 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 | 208873 | 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 | 42686 | 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 | 42686 | 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 | 192586 | 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 | 192586 | 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 | 123300 | 0 | 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 | 123300 | 0 | 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 | 125921 | 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 | 125921 | 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 | 125931 | 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 | 125931 | 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 | 202599 | 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 | 202599 | 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 | 202650 | 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 | 202650 | 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 | 102235 | 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 | 102235 | 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 | 202570 | 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 | 202570 | 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 | 202346 | 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 | 202346 | 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 | 202196 | 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 | 202196 | 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 | 202651 | 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 | 202651 | 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 | 13635 | 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 | 13635 | 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 | 13635 | 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 | 66351 | 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 | 66351 | 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 | 121614 | 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 | 121614 | 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 | 79110 | 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 | 79110 | 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 | 208409 | 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 | 90934 | 2 | 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 | 90934 | 2 | 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 | 207900 | 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 | 59546 | 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 | 59546 | 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 | 103892 | 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 | 103892 | 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 | 125930 | 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 | 125930 | 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 | 106275 | 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 | 106275 | 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 | 122431 | 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 | 122431 | 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 | 173061 | 2 | 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 | 173061 | 2 | 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 | 173061 | 2 | 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 | 173061 | 2 | 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 | 102305 | 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 | 102305 | 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 | 112171 | 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 | 112171 | 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 | 112171 | 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 | 112171 | 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 | 112171 | 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 | 112171 | 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 | 203004 | 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 | 203004 | 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 | 134741 | 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 | 134741 | 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 | 202124 | 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 | 202124 | 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 | 202601 | 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 | 202601 | 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 | 195566 | 21 | 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 | 195566 | 21 | 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 | 101003 | 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 | 101003 | 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 | 207901 | 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 | 102415 | 24 | None | -398 | 16 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
CHEMBL305906 | 102415 | 24 | None | -398 | 16 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
CHEMBL334255 | 102415 | 24 | None | -398 | 16 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
579 | 3095 | 13 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.07.036 | ||||
6918468 | 3095 | 13 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.07.036 | ||||
CHEMBL41547 | 3095 | 13 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.07.036 | ||||
10259606 | 117606 | 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 | 117606 | 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 | 208848 | 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 | 208666 | 13 | 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 | 204197 | 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 | 204197 | 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 | 202973 | 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 | 202973 | 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 | 208909 | 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 | 159703 | 86 | 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 | 159703 | 86 | 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 | 61042 | 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 | 61042 | 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 | 101003 | 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 | 101003 | 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 | 54967 | 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 | 54967 | 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 | 114881 | 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 | 114881 | 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 | 114852 | 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 | 114852 | 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 | 114877 | 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 | 114877 | 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 | 114882 | 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 | 114882 | 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 | 114861 | 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 | 114861 | 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 | 114868 | 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 | 114868 | 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 | 209699 | 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 | 114867 | 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 | 114867 | 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 | 209718 | 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 | 114860 | 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 | 114860 | 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 | 114878 | 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 | 114878 | 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 | 114863 | 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 | 114863 | 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 | 98323 | 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 | 98323 | 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 | 209653 | 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 | 209679 | 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 | 209700 | 8 | 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 | 114862 | 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 | 114862 | 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 | 84612 | 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 | 84612 | 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 | 78485 | 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 | 78485 | 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 | 168163 | 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 | 168163 | 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 | 6693 | 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 | 6693 | 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 | 92387 | 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 | 92387 | 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 | 92737 | 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 | 92737 | 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 | 150644 | 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 | 150644 | 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 | 141473 | 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 | 141473 | 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 | 168444 | 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 | 168444 | 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 | 1937 | 15 | 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 | 1937 | 15 | 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 | 1937 | 15 | 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 | 1937 | 15 | 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 | 6701 | 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 | 6701 | 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 | 14083 | 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 | 14083 | 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 | 14083 | 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 | 150649 | 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 | 150649 | 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 | 1817 | 17 | 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 | 1817 | 17 | 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 | 1817 | 17 | 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 | 84359 | 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 | 84359 | 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 | 84359 | 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 | 84359 | 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 | 84747 | 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 | 84747 | 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 | 142524 | 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 | 142524 | 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 | 6722 | 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 | 6722 | 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 | 84359 | 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 | 84359 | 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 | 91801 | 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 | 91801 | 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 | 78488 | 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 | 78488 | 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 | 84604 | 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 | 84604 | 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 | 84642 | 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 | 84642 | 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 | 6706 | 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 | 6706 | 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 | 6712 | 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 | 6712 | 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 | 149174 | 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 | 149174 | 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 | 150646 | 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 | 150646 | 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 | 198681 | 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 | 198681 | 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 | 88963 | 24 | 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 | 88963 | 24 | 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 | 84797 | 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 | 84797 | 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 | 96514 | 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 | 96514 | 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 | 142467 | 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 | 142467 | 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 | 142525 | 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 | 142525 | 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 | 161187 | 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 | 161187 | 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 | 6713 | 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 | 6713 | 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 | 6716 | 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 | 6716 | 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 | 6717 | 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 | 6717 | 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 | 6718 | 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 | 6718 | 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 | 142467 | 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 | 142467 | 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 | 84606 | 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 | 84606 | 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 | 84762 | 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 | 84762 | 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 | 141809 | 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 | 141809 | 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 | 142254 | 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 | 142254 | 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 | 203464 | 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 | 203464 | 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 | 201940 | 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 | 201940 | 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 | 92142 | 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 | 92142 | 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 | 58175 | 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 | 58175 | 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 | 150642 | 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 | 150642 | 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 | 84652 | 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 | 84652 | 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 | 170979 | 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 | 170979 | 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 | 6689 | 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 | 6689 | 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 | 6692 | 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 | 6692 | 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 | 6709 | 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 | 6709 | 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 | 6715 | 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 | 6715 | 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 | 92768 | 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 | 92768 | 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 | 102123 | 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 | 102123 | 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 | 168698 | 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 | 168698 | 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 | 201842 | 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 | 201842 | 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 | 201862 | 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 | 201862 | 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 | 59623 | 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 | 59623 | 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 | 130866 | 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 | 130866 | 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 | 1817 | 17 | 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 | 1817 | 17 | 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 | 1817 | 17 | 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 | 198130 | 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 | 198130 | 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 | 171687 | 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 | 171687 | 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 | 173827 | 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 | 173827 | 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 | 78485 | 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 | 78485 | 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 | 10415 | 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 | 10415 | 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 | 84647 | 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 | 84647 | 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 | 143328 | 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 | 143328 | 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 | 6615 | 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 | 6615 | 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 | 6698 | 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 | 6698 | 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 | 6714 | 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 | 6714 | 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 | 6720 | 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 | 6720 | 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 | 6721 | 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 | 6721 | 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 | 6790 | 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 | 6790 | 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 | 171687 | 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 | 171687 | 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 | 10415 | 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 | 10415 | 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 | 58180 | 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 | 58180 | 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 | 117421 | 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 | 117421 | 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 | 150651 | 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 | 150651 | 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 | 149304 | 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 | 149304 | 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 | 84601 | 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 | 84601 | 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 | 84780 | 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 | 84780 | 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 | 168456 | 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 | 168456 | 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 | 6691 | 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 | 6691 | 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 | 6723 | 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 | 6723 | 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 | 6788 | 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 | 6788 | 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 | 155318 | 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 | 155318 | 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 | 3490 | 3 | 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 | 3490 | 3 | 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 | 3490 | 3 | 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 | 203084 | 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 | 203084 | 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 | 174859 | 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 | 174859 | 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 | 199788 | 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 | 199788 | 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 | 201823 | 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 | 201823 | 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 | 142349 | 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 | 142349 | 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 | 3419 | 27 | 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 | 3419 | 27 | 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 | 3419 | 27 | 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 | 3419 | 27 | 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 | 3419 | 27 | 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 | 96151 | 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 | 96151 | 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 | 203318 | 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 | 203318 | 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 | 203739 | 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 | 203739 | 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 | 120235 | 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 | 120235 | 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 | 120235 | 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 | 120235 | 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 | 3419 | 27 | 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 | 3419 | 27 | 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 | 3419 | 27 | 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 | 3419 | 27 | 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 | 3419 | 27 | 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 | 3419 | 27 | 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 | 3419 | 27 | 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 | 3419 | 27 | 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 | 3419 | 27 | 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 | 3419 | 27 | 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 | 199109 | 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 | 199109 | 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 | 171885 | 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 | 171885 | 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 | 141476 | 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 | 141476 | 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 | 143326 | 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 | 143326 | 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 | 6614 | 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 | 6614 | 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 | 6697 | 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 | 6697 | 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 | 6704 | 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 | 6704 | 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 | 6708 | 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 | 6708 | 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 | 6789 | 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 | 6789 | 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 | 6792 | 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 | 6792 | 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 | 2922 | 33 | 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 | 2922 | 33 | 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 | 2922 | 33 | 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 | 2922 | 33 | 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 | 2922 | 33 | 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 | 92145 | 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 | 92145 | 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 | 4073 | 3 | 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 | 4073 | 3 | 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 | 4073 | 3 | 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 | 181044 | 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 | 181044 | 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 | 195566 | 21 | 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 | 195566 | 21 | 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 | 202090 | 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 | 202090 | 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 | 209653 | 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 | 91802 | 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 | 91802 | 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 | 78486 | 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 | 78486 | 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 | 84602 | 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 | 84602 | 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 | 6613 | 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 | 6613 | 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 | 6690 | 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 | 6690 | 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 | 6694 | 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 | 6694 | 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 | 6707 | 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 | 6707 | 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 | 6710 | 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 | 6710 | 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 | 6791 | 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 | 6791 | 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 | 6793 | 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 | 6793 | 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 | 6932 | 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 | 6932 | 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 | 4073 | 3 | 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 | 4073 | 3 | 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 | 4073 | 3 | 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 | 91802 | 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 | 91802 | 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 | 203145 | 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 | 203145 | 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 | 203273 | 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 | 203273 | 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 | 203442 | 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 | 203442 | 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 | 57415 | 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 | 57415 | 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 | 181172 | 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 | 181172 | 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 | 101890 | 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 | 101890 | 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 | 2725 | 21 | None | 102 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | ||||
3795 | 2725 | 21 | None | 102 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | ||||
5311311 | 2725 | 21 | None | 102 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | ||||
CHEMBL217406 | 2725 | 21 | None | 102 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | ||||
10303894 | 85576 | 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 | 85576 | 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 | 148621 | 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 | 148621 | 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 | 166128 | 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 | 166128 | 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 | 169450 | 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 | 169450 | 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 | 169478 | 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 | 169478 | 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 | 141505 | 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 | 141505 | 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 | 141505 | 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 | 6703 | 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 | 6703 | 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 | 6711 | 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 | 6711 | 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 | 6794 | 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 | 6794 | 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 | 141505 | 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 | 141505 | 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 | 141505 | 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 | 103904 | 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 | 103904 | 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 | 155080 | 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 | 155080 | 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 | 155080 | 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 | 203245 | 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 | 203245 | 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 | 57467 | 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 | 57467 | 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 | 119774 | 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 | 119774 | 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 | 172209 | 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 | 172209 | 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 | 101644 | 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 | 101644 | 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 | 202075 | 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 | 202075 | 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 | 78718 | 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 | 78718 | 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 | 79233 | 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 | 79233 | 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 | 142816 | 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 | 142816 | 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 | 91798 | 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 | 91798 | 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 | 102615 | 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 | 102615 | 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 | 172204 | 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 | 172204 | 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 | 5384 | 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 | 5384 | 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 | 196998 | 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 | 196998 | 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 | 59762 | 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 | 59762 | 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 | 116866 | 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 | 116866 | 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 | 202601 | 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 | 202601 | 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 | 112171 | 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 | 112171 | 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 | 112171 | 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 | 203123 | 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 | 203123 | 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 | 17773 | 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 | 17773 | 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 | 108533 | 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 | 108533 | 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 | 112411 | 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 | 112411 | 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 | 3468 | 3 | 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 | 3468 | 3 | 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 | 3468 | 3 | 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 | 149291 | 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 | 149291 | 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 | 170510 | 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 | 170510 | 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 | 170736 | 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 | 170736 | 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 | 172233 | 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 | 172233 | 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 | 188298 | 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 | 188298 | 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 | 84708 | 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 | 84708 | 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 | 6695 | 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 | 6695 | 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 | 6719 | 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 | 6719 | 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 | 170777 | 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 | 170777 | 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 | 201881 | 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 | 201881 | 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 | 202075 | 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 | 202075 | 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 | 60876 | 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 | 60876 | 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 | 202601 | 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 | 202601 | 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 | 91800 | 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 | 91800 | 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 | 102637 | 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 | 102637 | 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 | 5168 | 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 | 5168 | 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 | 7748 | 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 | 7748 | 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 | 148932 | 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 | 148932 | 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 | 103932 | 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 | 103932 | 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 | 203131 | 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 | 203131 | 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 | 203159 | 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 | 203159 | 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 | 203302 | 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 | 203302 | 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 | 175841 | 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 | 175841 | 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 | 3419 | 27 | 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 | 3419 | 27 | 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 | 3419 | 27 | 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 | 3419 | 27 | 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 | 3419 | 27 | 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 | 2725 | 21 | None | 102 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm401823z | ||||
3795 | 2725 | 21 | None | 102 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm401823z | ||||
5311311 | 2725 | 21 | None | 102 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm401823z | ||||
CHEMBL217406 | 2725 | 21 | None | 102 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm401823z | ||||
9887650 | 16472 | 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 | 16472 | 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 | 116501 | 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 | 116501 | 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 | 117975 | 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 | 117975 | 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 | 89009 | 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 | 89009 | 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 | 148692 | 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 | 148692 | 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 | 148695 | 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 | 148695 | 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 | 172888 | 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 | 172888 | 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 | 187746 | 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 | 187746 | 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 | 168142 | 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 | 168142 | 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 | 6699 | 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 | 6699 | 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 | 5274 | 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 | 5274 | 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 | 7801 | 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 | 7801 | 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 | 168930 | 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 | 168930 | 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 | 161179 | 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 | 161179 | 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 | 115905 | 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 | 115905 | 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 | 96492 | 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 | 96492 | 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 | 58020 | 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 | 58020 | 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 | 59577 | 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 | 59577 | 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 | 82038 | 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 | 82038 | 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 | 115906 | 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 | 115906 | 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 | 96802 | 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 | 96802 | 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 | 115907 | 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 | 115907 | 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 | 102545 | 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 | 102545 | 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 | 120209 | 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 | 120209 | 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 | 100872 | 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 | 100872 | 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 | 61038 | 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 | 61038 | 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 | 92739 | 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 | 92739 | 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 | 16753 | 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 | 16753 | 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 | 17091 | 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 | 17091 | 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 | 109830 | 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 | 109830 | 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 | 88166 | 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 | 88166 | 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 | 151638 | 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 | 151638 | 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 | 171085 | 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 | 171085 | 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 | 52451 | 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 | 52451 | 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 | 54508 | 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 | 54508 | 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 | 84474 | 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 | 84474 | 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 | 84648 | 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 | 84648 | 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 | 136746 | 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 | 136746 | 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 | 141506 | 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 | 141506 | 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 | 85549 | 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 | 85549 | 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 | 115908 | 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 | 115908 | 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 | 109830 | 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 | 109830 | 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 | 163468 | 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 | 163468 | 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 | 201793 | 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 | 201793 | 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 | 116464 | 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 | 116464 | 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 | 203333 | 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 | 203333 | 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 | 120251 | 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 | 120251 | 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 | 195566 | 21 | 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 | 195566 | 21 | 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 | 203534 | 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 | 203534 | 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 | 83117 | 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 | 83117 | 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 | 92143 | 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 | 92143 | 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 | 167935 | 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 | 167935 | 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 | 106773 | 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 | 106773 | 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 | 167935 | 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 | 167935 | 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 | 88129 | 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 | 88129 | 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 | 148694 | 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 | 148694 | 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 | 153034 | 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 | 153034 | 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 | 172390 | 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 | 172390 | 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 | 188116 | 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 | 188116 | 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 | 167935 | 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 | 167935 | 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 | 84657 | 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 | 84657 | 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 | 137345 | 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 | 137345 | 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 | 167935 | 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 | 167935 | 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 | 6696 | 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 | 6696 | 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 | 6700 | 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 | 6700 | 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 | 6702 | 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 | 6702 | 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 | 6812 | 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 | 6812 | 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 | 167935 | 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 | 167935 | 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 | 112337 | 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 | 112337 | 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 | 117832 | 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 | 117832 | 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 | 170743 | 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 | 170743 | 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 | 99356 | 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 | 99356 | 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 | 96145 | 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 | 96145 | 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 | 115935 | 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 | 115935 | 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 | 4154 | 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 | 4154 | 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 | 171849 | 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 | 171849 | 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 | 187672 | 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 | 187672 | 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 | 78487 | 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 | 78487 | 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 | 15157 | 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 | 15157 | 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 | 10397 | 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 | 10397 | 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 | 143338 | 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 | 143338 | 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 | 85836 | 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 | 85836 | 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 | 117549 | 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 | 117549 | 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 | 117608 | 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 | 117608 | 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 | 167988 | 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 | 167988 | 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 | 65297 | 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 | 65297 | 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 | 99518 | 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 | 99518 | 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 | 88747 | 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 | 88747 | 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 | 88880 | 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 | 88880 | 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 | 89004 | 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 | 89004 | 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 | 89005 | 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 | 89005 | 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 | 89175 | 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 | 89175 | 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 | 148694 | 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 | 148694 | 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 | 166500 | 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 | 166500 | 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 | 101337 | 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 | 101337 | 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 | 64526 | 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 | 64526 | 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 | 91931 | 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 | 91931 | 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 | 63549 | 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 | 63549 | 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 | 60284 | 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 | 60284 | 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 | 118360 | 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 | 118360 | 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 | 145264 | 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 | 145264 | 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 | 64678 | 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 | 64678 | 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 | 68025 | 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 | 68025 | 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 | 3638 | 31 | None | -457 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | ||||
36511 | 3638 | 31 | None | -457 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | ||||
3805 | 3638 | 31 | None | -457 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | ||||
3835 | 3638 | 31 | None | -457 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | ||||
CHEMBL235363 | 3638 | 31 | None | -457 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | ||||
10232846 | 113617 | 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 | 113617 | 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 | 211215 | 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 | 119528 | 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 | 119528 | 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 | 17803 | 41 | 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 | 17803 | 41 | 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 | 17803 | 41 | 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 | 195176 | 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 | 195176 | 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 | 99428 | 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 | 99428 | 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 | 118457 | 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 | 118457 | 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 | 120498 | 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 | 120498 | 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 | 57312 | 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 | 57312 | 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 | 4454 | 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 | 4454 | 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 | 99496 | 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 | 99496 | 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 | 110903 | 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 | 110903 | 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 | 118749 | 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 | 118749 | 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 | 16701 | 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 | 16701 | 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 | 88325 | 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 | 88325 | 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 | 106227 | 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 | 106227 | 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 | 188091 | 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 | 188091 | 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 | 92148 | 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 | 92148 | 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 | 10461 | 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 | 10461 | 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 | 109819 | 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 | 109819 | 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 | 211878 | 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 | 63708 | 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 | 63708 | 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 | 63945 | 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 | 63945 | 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 | 213585 | 3 | 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 | 60279 | 6 | 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 | 60279 | 6 | 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 | 100378 | 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 | 100378 | 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 | 206112 | 6 | 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 | 206112 | 6 | 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 | 3441 | 35 | 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 | 3441 | 35 | 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 | 3441 | 35 | 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 | 3690 | 75 | 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 | 3690 | 75 | 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 | 3690 | 75 | 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 | 3690 | 75 | 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 | 3690 | 75 | 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 | 3690 | 75 | 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 | 166222 | 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 | 166222 | 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 | 106748 | 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 | 106748 | 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 | 167985 | 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 | 167985 | 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 | 206650 | 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 | 206650 | 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 | 88615 | 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 | 88615 | 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 | 88883 | 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 | 88883 | 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 | 20646 | 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 | 20646 | 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 | 78091 | 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 | 78091 | 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 | 78373 | 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 | 78373 | 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 | 109996 | 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 | 109996 | 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 | 109996 | 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 | 109996 | 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 | 118355 | 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 | 118355 | 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 | 118363 | 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 | 118363 | 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 | 103102 | 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 | 103102 | 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 | 202856 | 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 | 202856 | 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 | 2554 | 56 | 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 | 2554 | 56 | 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 | 2554 | 56 | 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 | 2554 | 56 | 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 | 2554 | 56 | 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 | 203439 | 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 | 203439 | 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 | 110080 | 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 | 110080 | 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 | 203125 | 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 | 203125 | 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 | 195390 | 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 | 195390 | 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 | 63944 | 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 | 63944 | 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 | 110875 | 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 | 110875 | 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 | 121247 | 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 | 121247 | 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 | 60285 | 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 | 60285 | 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 | 3234 | 60 | 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 | 3234 | 60 | 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 | 3234 | 60 | 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 | 3234 | 60 | 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 | 3234 | 60 | 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 | 2207 | 51 | 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 | 2207 | 51 | 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 | 2207 | 51 | 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 | 2460 | 48 | 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 | 2460 | 48 | 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 | 2460 | 48 | 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 | 2460 | 48 | 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 | 2460 | 48 | 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 | 162418 | 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 | 162418 | 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 | 39664 | 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 | 39664 | 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 | 187238 | 73 | 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 | 187238 | 73 | 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 | 1263 | 69 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | None | nan | ||||
162639143 | 1263 | 69 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | None | nan | ||||
5284373 | 1263 | 69 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | None | nan | ||||
760 | 1263 | 69 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | None | nan | ||||
CHEMBL160 | 1263 | 69 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | None | nan | ||||
DB00091 | 1263 | 69 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | None | nan | ||||
44380732 | 58683 | 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 | 58683 | 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 | 5219 | 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 | 5219 | 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 | 7963 | 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 | 7963 | 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 | 109991 | 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 | 109991 | 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 | 36943 | 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 | 36943 | 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 | 92131 | 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 | 92131 | 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 | 174992 | 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 | 174992 | 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 | 118355 | 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 | 118355 | 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 | 196148 | 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 | 196148 | 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 | 206712 | 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 | 3687 | 48 | 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 | 3687 | 48 | 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 | 3687 | 48 | 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 | 39597 | 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 | 39597 | 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 | 167052 | 3 | 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 | 167052 | 3 | 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 | 3687 | 48 | 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 | 3687 | 48 | 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 | 3687 | 48 | 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 | 38913 | 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 | 38913 | 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 | 109824 | 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 | 109824 | 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 | 37707 | 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 | 37707 | 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 | 206536 | 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 | 206536 | 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 | 161394 | 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 | 161394 | 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 | 187628 | 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 | 187628 | 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 | 2726 | 20 | None | -38 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm5017413 | ||||
5311312 | 2726 | 20 | None | -38 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm5017413 | ||||
CHEMBL437797 | 2726 | 20 | None | -38 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm5017413 | ||||
11421866 | 136690 | 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 | 136690 | 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 | 6705 | 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 | 6705 | 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 | 45504 | 56 | None | -1 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 220 | 8 | 1 | 1 | 4.7 | CCCCCCCCCc1ccc(O)cc1 | nan | ||
CHEMBL153062 | 45504 | 56 | None | -1 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 220 | 8 | 1 | 1 | 4.7 | CCCCCCCCCc1ccc(O)cc1 | nan | ||
1548953 | 205945 | 24 | 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 | 205945 | 24 | 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 | 14341 | 0 | None | 1 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | None | nan | ||||
2406 | 99938 | 84 | 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 | 99938 | 84 | 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 | 206718 | 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 | 99178 | 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 | 99178 | 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 | 117574 | 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 | 117574 | 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 | 198404 | 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 | 198404 | 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 | 214004 | 5 | 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 | 214004 | 5 | 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 | 63957 | 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 | 63957 | 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 | 5355 | 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 | 5355 | 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 | 17982 | 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 | 17982 | 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 | 38833 | 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 | 38833 | 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 | 39665 | 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 | 39665 | 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 | 57808 | 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 | 57808 | 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 | 15159 | 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 | 15159 | 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 | 64604 | 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 | 64604 | 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 | 65773 | 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 | 65773 | 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 | 88980 | 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 | 88980 | 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 | 174236 | 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 | 174236 | 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 | 205195 | 91 | 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 | 205195 | 91 | 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 | 205195 | 91 | 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 | 15400 | 44 | 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 | 15400 | 44 | 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 | 15400 | 44 | 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 | 99355 | 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 | 99355 | 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 | 99628 | 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 | 99628 | 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 | 108559 | 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 | 108559 | 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 | 100004 | 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 | 100004 | 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 | 203354 | 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 | 203354 | 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 | 9926 | 58 | 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 | 9926 | 58 | 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 | 4376 | 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 | 4376 | 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 | 171506 | 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 | 171506 | 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 | 9125 | 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 | 9125 | 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 | 110961 | 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 | 110961 | 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 | 205934 | 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 | 205934 | 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 | 99202 | 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 | 99202 | 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 | 100900 | 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 | 100900 | 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 | 10024 | 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 | 10024 | 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 | 119959 | 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 | 119959 | 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 | 119959 | 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 | 120343 | 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 | 120343 | 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 | 16367 | 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 | 16367 | 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 | 16624 | 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 | 16624 | 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 | 116341 | 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 | 116341 | 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 | 78378 | 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 | 78378 | 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 | 88896 | 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 | 88896 | 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 | 89082 | 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 | 89082 | 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 | 188034 | 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 | 188034 | 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 | 60345 | 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 | 60345 | 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 | 99027 | 94 | None | -2 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 272 | 1 | 0 | 2 | 4.6 | O=c1cc(-c2ccccc2)oc2c1ccc1ccccc12 | nan | ||
CHEMBL283196 | 99027 | 94 | None | -2 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 272 | 1 | 0 | 2 | 4.6 | O=c1cc(-c2ccccc2)oc2c1ccc1ccccc12 | nan | ||
118724123 | 115912 | 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 | 115912 | 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 | 36148 | 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 | 36148 | 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 | 204412 | 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 | 204412 | 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 | 17789 | 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 | 17789 | 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 | 119809 | 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 | 119809 | 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 | 99569 | 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 | 99569 | 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 | 108906 | 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 | 108906 | 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 | 110085 | 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 | 110085 | 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 | 113313 | 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 | 113313 | 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 | 156055 | 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 | 156055 | 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 | 102278 | 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 | 102278 | 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 | 103304 | 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 | 103304 | 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 | 168628 | 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 | 168628 | 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 | 168628 | 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 | 201793 | 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 | 201793 | 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 | 58181 | 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 | 58181 | 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 | 85719 | 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 | 85719 | 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 | 78011 | 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 | 78011 | 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 | 152138 | 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 | 152138 | 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 | 152137 | 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 | 152137 | 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 | 85578 | 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 | 85578 | 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 | 3530 | 19 | 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 | 3530 | 19 | 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 | 3530 | 19 | 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 | 3530 | 19 | 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 | 178928 | 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 | 178928 | 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 | 105026 | 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 | 105026 | 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 | 203203 | 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 | 203203 | 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 | 16630 | 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 | 16630 | 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 | 156815 | 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 | 156815 | 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 | 88972 | 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 | 88972 | 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 | 118986 | 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 | 118986 | 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 | 16472 | 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 | 16472 | 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 | 102508 | 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 | 102508 | 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 | 57307 | 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 | 57307 | 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 | 79232 | 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 | 79232 | 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 | 104920 | 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 | 104920 | 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 | 92738 | 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 | 92738 | 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 | 5188 | 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 | 5188 | 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 | 99234 | 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 | 99234 | 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 | 118086 | 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 | 118086 | 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 | 35671 | 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 | 35671 | 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 | 91876 | 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 | 91876 | 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 | 63853 | 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 | 63853 | 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 | 63966 | 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 | 63966 | 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 | 65258 | 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 | 65258 | 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 | 122302 | 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 | 122302 | 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 | 123189 | 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 | 123189 | 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 | 103872 | 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 | 103872 | 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 | 63745 | 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 | 63745 | 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 | 64113 | 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 | 64113 | 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 | 64505 | 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 | 64505 | 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 | 121916 | 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 | 121916 | 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 | 203802 | 73 | 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 | 203802 | 73 | 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 | 203802 | 73 | 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 | 206242 | 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 | 206242 | 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 | 166358 | 71 | 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 | 166358 | 71 | 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 | 166358 | 71 | 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 | 9743 | 53 | 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 | 9743 | 53 | 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 | 105199 | 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 | 105199 | 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 | 103332 | 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 | 103332 | 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 | 99420 | 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 | 99420 | 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 | 112226 | 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 | 112226 | 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 | 103332 | 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 | 103332 | 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 | 118727 | 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 | 118727 | 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 | 103332 | 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 | 103332 | 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 | 103332 | 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 | 103332 | 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 | 104270 | 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 | 104270 | 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 | 99638 | 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 | 99638 | 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 | 106950 | 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 | 106950 | 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 | 4578 | 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 | 4578 | 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 | 58933 | 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 | 58933 | 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 | 102436 | 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 | 102436 | 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 | 108125 | 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 | 108125 | 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 | 5373 | 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 | 5373 | 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 | 99649 | 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 | 99649 | 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 | 41564 | 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 | 41564 | 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 | 178888 | 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 | 178888 | 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 | 206678 | 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 | 206678 | 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 | 197406 | 29 | 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 | 197406 | 29 | 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 | 119855 | 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 | 119855 | 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 | 35487 | 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 | 35487 | 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 | 120429 | 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 | 120429 | 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 | 41564 | 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 | 41564 | 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 | 129295 | 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 | 129295 | 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 | 159339 | 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 | 159339 | 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 | 106961 | 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 | 106961 | 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 | 57785 | 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 | 57785 | 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 | 206649 | 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 | 206649 | 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 | 4231 | 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 | 4231 | 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 | 120216 | 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 | 120216 | 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 | 203117 | 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 | 203117 | 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 | 161128 | 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 | 161128 | 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 | 91932 | 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 | 91932 | 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 | 14626 | 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 | 14626 | 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 | 14626 | 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 | 88978 | 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 | 88978 | 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 | 119749 | 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 | 119749 | 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 | 112994 | 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 | 112994 | 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 | 168260 | 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 | 168260 | 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 | 170206 | 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 | 170206 | 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 | 170344 | 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 | 170344 | 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 | 136748 | 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 | 136748 | 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 | 85550 | 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 | 85550 | 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 | 65062 | 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 | 65062 | 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 | 102706 | 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 | 102706 | 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 | 160236 | 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 | 160236 | 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 | 88748 | 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 | 88748 | 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 | 108453 | 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 | 108453 | 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 | 203432 | 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 | 203432 | 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 | 16136 | 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 | 16136 | 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 | 118252 | 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 | 118252 | 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 | 15160 | 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 | 15160 | 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 | 203435 | 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 | 203435 | 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 | 58179 | 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 | 58179 | 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 | 203438 | 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 | 203438 | 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 | 107552 | 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 | 107552 | 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 | 120764 | 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 | 120764 | 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 | 106932 | 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 | 106932 | 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 | 207496 | 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 | 178655 | 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 | 178655 | 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 | 3443 | 63 | 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 | 3443 | 63 | 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 | 3443 | 63 | 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 | 4614 | 0 | 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 | 4614 | 0 | 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 | 6633 | 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 | 6633 | 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 | 99179 | 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 | 99179 | 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 | 35701 | 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 | 35701 | 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 | 105213 | 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 | 105213 | 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 | 92430 | 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 | 92430 | 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 | 147775 | 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 | 147775 | 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 | 112109 | 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 | 112109 | 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 | 112975 | 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 | 112975 | 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 | 102415 | 24 | None | -398 | 16 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
CHEMBL305906 | 102415 | 24 | None | -398 | 16 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
CHEMBL334255 | 102415 | 24 | None | -398 | 16 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
4529080 | 166932 | 6 | 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 | 166932 | 6 | 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 | 166932 | 6 | 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 | 166932 | 6 | 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 | 4151 | 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 | 4151 | 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 | 6611 | 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 | 6611 | 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 | 113298 | 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 | 113298 | 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 | 124986 | 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 | 124986 | 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 | 201996 | 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 | 201996 | 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 | 105248 | 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 | 105248 | 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 | 120208 | 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 | 120208 | 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 | 190792 | 9 | 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 | 190792 | 9 | 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 | 171257 | 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 | 171257 | 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 | 141507 | 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 | 141507 | 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 | 163007 | 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 | 163007 | 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 | 168345 | 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 | 168345 | 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 | 166137 | 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 | 166137 | 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 | 109668 | 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 | 109668 | 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 | 109905 | 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 | 109905 | 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 | 163007 | 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 | 163007 | 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 | 168345 | 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 | 168345 | 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 | 57308 | 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 | 57308 | 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 | 5260 | 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 | 5260 | 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 | 58177 | 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 | 58177 | 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 | 5226 | 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 | 5226 | 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 | 108116 | 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 | 108116 | 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 | 95980 | 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 | 95980 | 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 | 195024 | 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 | 195024 | 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 | 167245 | 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 | 167245 | 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 | 195473 | 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 | 195473 | 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 | 92130 | 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 | 92130 | 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 | 150393 | 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 | 150393 | 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 | 15465 | 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 | 15465 | 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 | 16416 | 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 | 16416 | 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 | 198130 | 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 | 198130 | 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 | 4155 | 0 | 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 | 4155 | 0 | 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 | 88143 | 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 | 88143 | 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 | 89083 | 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 | 89083 | 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 | 169059 | 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 | 169059 | 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 | 169367 | 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 | 169367 | 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 | 173303 | 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 | 173303 | 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 | 78489 | 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 | 78489 | 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 | 58176 | 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 | 58176 | 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 | 84745 | 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 | 84745 | 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 | 9756 | 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 | 9756 | 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 | 10426 | 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 | 10426 | 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 | 203089 | 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 | 203089 | 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 | 148847 | 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 | 148847 | 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 | 64040 | 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 | 64040 | 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 | 109726 | 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 | 109726 | 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 | 121817 | 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 | 121817 | 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 | 121844 | 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 | 121844 | 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 | 144745 | 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 | 144745 | 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 | 206546 | 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 | 206546 | 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 | 203285 | 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 | 203285 | 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 | 100524 | 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 | 100524 | 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 | 199704 | 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 | 199704 | 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 | 107275 | 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 | 107275 | 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 | 88166 | 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 | 88166 | 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 | 154255 | 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 | 154255 | 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 | 123041 | 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 | 123041 | 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 | 165632 | 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 | 165632 | 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 | 123394 | 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 | 123394 | 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 | 207475 | 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 | 97876 | 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 | 97876 | 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 | 9829 | 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 | 9829 | 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 | 145289 | 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 | 145289 | 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 | 146327 | 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 | 146327 | 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 | 166794 | 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 | 166794 | 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 | 9829 | 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 | 9829 | 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 | 10422 | 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 | 10422 | 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 | 109869 | 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 | 109869 | 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 | 159703 | 86 | 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 | 159703 | 86 | 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 | 64133 | 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 | 64133 | 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 | 159546 | 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 | 159546 | 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 | 79053 | 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 | 79053 | 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 | 19835 | 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 | 19835 | 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 | 167481 | 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 | 167481 | 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 | 41564 | 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 | 41564 | 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 | 102443 | 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 | 102443 | 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 | 194721 | 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 | 194721 | 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 | 4012 | 11 | 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 | 4012 | 11 | 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 | 4012 | 11 | 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 | 88976 | 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 | 88976 | 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 | 97811 | 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 | 97811 | 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 | 4711 | 96 | None | -28 | 34 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | ||
CHEMBL104 | 4711 | 96 | None | -28 | 34 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | ||
44314868 | 155157 | 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 | 155157 | 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 | 156785 | 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 | 156785 | 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 | 206545 | 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 | 206545 | 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 | 206229 | 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 | 206229 | 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 | 109903 | 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 | 109903 | 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 | 41564 | 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 | 41564 | 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 | 116536 | 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 | 116536 | 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 | 2922 | 33 | 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 | 2922 | 33 | 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 | 2922 | 33 | 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 | 2922 | 33 | 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 | 2922 | 33 | 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 | 58475 | 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 | 58475 | 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 | 203228 | 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 | 203228 | 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 | 146633 | 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 | 146633 | 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 | 160409 | 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 | 160409 | 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 | 203403 | 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 | 203403 | 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 | 41564 | 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 | 41564 | 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 | 3687 | 48 | 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 | 3687 | 48 | 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 | 3687 | 48 | 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 | 2725 | 21 | None | -3548 | 5 | Guinea pig | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00073a022 | ||||
3795 | 2725 | 21 | None | -3548 | 5 | Guinea pig | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00073a022 | ||||
5311311 | 2725 | 21 | None | -3548 | 5 | Guinea pig | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00073a022 | ||||
CHEMBL217406 | 2725 | 21 | None | -3548 | 5 | Guinea pig | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00073a022 | ||||
86274964 | 159800 | 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 | 159800 | 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 | 114759 | 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 | 114759 | 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 | 203082 | 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 | 203082 | 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 | 88975 | 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 | 88975 | 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 | 203287 | 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 | 203287 | 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 | 35438 | 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 | 35438 | 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 | 36417 | 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 | 36417 | 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 | 166499 | 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 | 166499 | 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 | 120271 | 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 | 120271 | 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 | 104603 | 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 | 104603 | 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 | 88324 | 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 | 88324 | 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 | 106228 | 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 | 106228 | 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 | 206819 | 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 | 3687 | 48 | 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 | 3687 | 48 | 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 | 3687 | 48 | 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 | 163320 | 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 | 163320 | 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 | 102445 | 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 | 102445 | 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 | 99166 | 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 | 99166 | 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 | 108718 | 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 | 108718 | 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 | 109199 | 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 | 109199 | 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 | 162648 | 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 | 162648 | 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 | 35555 | 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 | 35555 | 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 | 203130 | 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 | 203130 | 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 | 203130 | 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 | 203130 | 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 | 92149 | 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 | 92149 | 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 | 57847 | 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 | 57847 | 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 | 173150 | 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 | 173150 | 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 | 57514 | 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 | 57514 | 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 | 15158 | 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 | 15158 | 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 | 58178 | 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 | 58178 | 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 | 180014 | 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 | 180014 | 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 | 91799 | 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 | 91799 | 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 | 194525 | 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 | 194525 | 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 | 203266 | 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 | 203266 | 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 | 57134 | 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 | 57134 | 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 | 92789 | 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 | 92789 | 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 | 142545 | 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 | 142545 | 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 | 103319 | 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 | 103319 | 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 | 9083 | 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 | 9083 | 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 | 109040 | 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 | 109040 | 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 | 196612 | 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 | 196612 | 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 | 2922 | 33 | 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 | 2922 | 33 | 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 | 2922 | 33 | 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 | 2922 | 33 | 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 | 2922 | 33 | 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 | 103881 | 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 | 103881 | 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 | 202933 | 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 | 202933 | 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 | 203077 | 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 | 203077 | 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 | 159333 | 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 | 159333 | 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 | ||
2750 | 202363 | 69 | 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 | 202363 | 69 | 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 | 59040 | 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 | 59040 | 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 | 116390 | 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 | 116390 | 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 | 2726 | 20 | None | -38 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | ||||
5311312 | 2726 | 20 | None | -38 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | ||||
CHEMBL437797 | 2726 | 20 | None | -38 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9807151 | ||||
9940831 | 14477 | 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 | 14477 | 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 | 14477 | 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 | 118889 | 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 | 118889 | 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 | 111912 | 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 | 111912 | 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 | 206716 | 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 | 58183 | 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 | 58183 | 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 | 120224 | 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 | 120224 | 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 | 13116 | 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 | 13116 | 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 | 40249 | 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 | 40249 | 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 | 100230 | 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 | 100230 | 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 | 203385 | 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 | 203385 | 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 | 96148 | 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 | 96148 | 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 | 102440 | 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 | 102440 | 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 | 167733 | 49 | 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 | 167733 | 49 | 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 | 160126 | 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 | 160126 | 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 | 18886 | 34 | 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 | 18886 | 34 | 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 | 78499 | 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 | 78499 | 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 | 208666 | 13 | 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 | 17772 | 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 | 17772 | 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 | 171359 | 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 | 171359 | 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 | 188286 | 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 | 188286 | 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 | 52615 | 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 | 52615 | 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 | 142434 | 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 | 142434 | 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 | 9717 | 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 | 9717 | 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 | 102664 | 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 | 102664 | 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 | 14477 | 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 | 14477 | 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 | 14477 | 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 | 57855 | 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 | 57855 | 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 | 152650 | 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 | 152650 | 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 | 14626 | 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 | 14626 | 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 | 14626 | 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 | 181016 | 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 | 181016 | 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 | 115911 | 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 | 115911 | 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 | 57801 | 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 | 57801 | 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 | 58308 | 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 | 58308 | 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 | 63573 | 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 | 63573 | 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 | 130171 | 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 | 130171 | 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 | 89176 | 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 | 89176 | 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 | 89830 | 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 | 89830 | 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 | 153894 | 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 | 153894 | 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 | 63174 | 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 | 63174 | 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 | 63996 | 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 | 63996 | 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 | 64242 | 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 | 64242 | 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 | 64521 | 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 | 64521 | 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 | 121510 | 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 | 121510 | 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 | 167412 | 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 | 167412 | 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 | 156801 | 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 | 156801 | 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 | 100635 | 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 | 100635 | 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 | 195465 | 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 | 195465 | 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 | 96424 | 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 | 96424 | 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 | 206378 | 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 | 206378 | 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 | 205370 | 82 | 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 | 205370 | 82 | 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 | 205370 | 82 | 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 | 120470 | 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 | 120470 | 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 | 193814 | 39 | 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 | 193814 | 39 | 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 | 193814 | 39 | 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 | 15435 | 4 | 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 | 15435 | 4 | 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 | 99524 | 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 | 99524 | 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 | 106961 | 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 | 106961 | 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 | 206536 | 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 | 206536 | 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 | 107070 | 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 | 107070 | 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 | 175575 | 19 | 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 | 175575 | 19 | 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 | 175575 | 19 | 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 | 175575 | 19 | 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 | 105138 | 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 | 105138 | 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 | 49951 | 38 | None | -36 | 11 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
76973198 | 49951 | 38 | None | -36 | 11 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
CHEMBL157101 | 49951 | 38 | None | -36 | 11 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
44380094 | 58436 | 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 | 58436 | 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 | 35440 | 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 | 35440 | 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 | 70774 | 73 | None | -2 | 10 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 206 | 7 | 1 | 1 | 4.3 | CCCCCCCCc1ccc(O)cc1 | nan | ||
CHEMBL195437 | 70774 | 73 | None | -2 | 10 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 206 | 7 | 1 | 1 | 4.3 | CCCCCCCCc1ccc(O)cc1 | nan | ||
44329367 | 206507 | 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 | 206507 | 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 | 206347 | 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 | 206347 | 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 | 118490 | 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 | 118490 | 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 | 12136 | 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 | 12136 | 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 | 12136 | 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 | 118351 | 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 | 118351 | 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 | 99525 | 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 | 99525 | 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 | 109208 | 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 | 109208 | 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 | 113025 | 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 | 113025 | 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 | 178528 | 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 | 178528 | 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 | 15390 | 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 | 15390 | 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 | 112332 | 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 | 112332 | 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 | 148692 | 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 | 148692 | 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 | 152502 | 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 | 152502 | 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 | 119090 | 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 | 119090 | 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 | 119558 | 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 | 119558 | 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 | 168381 | 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 | 168381 | 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 | 167572 | 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 | 167572 | 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 | 197381 | 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 | 197381 | 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 | 97961 | 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 | 97961 | 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 | 119970 | 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 | 119970 | 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 | 64198 | 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 | 64198 | 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 | 168680 | 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 | 168680 | 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 | 166858 | 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 | 166858 | 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 | 64114 | 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 | 64114 | 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 | 64233 | 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 | 64233 | 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 | 65297 | 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 | 65297 | 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 | 116264 | 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 | 116264 | 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 | 110840 | 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 | 110840 | 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 | 64014 | 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 | 64014 | 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 | 122112 | 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 | 122112 | 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 | 11743 | 21 | 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 | 11743 | 21 | 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 | 11743 | 21 | 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 | 11743 | 21 | 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 | 394 | 63 | 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 | 394 | 63 | 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 | 394 | 63 | 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 | 394 | 63 | 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 | 394 | 63 | 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 | 102385 | 93 | 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 | 102385 | 93 | 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 | 197117 | 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 | 197117 | 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 | 110961 | 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 | 110961 | 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 | 39823 | 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 | 39823 | 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 | 120535 | 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 | 120535 | 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 | 206546 | 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 | 206546 | 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 | 19202 | 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 | 19202 | 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 | 206378 | 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 | 206378 | 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 | 108115 | 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 | 108115 | 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 | 53276 | 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 | 53276 | 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 | 108943 | 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 | 108943 | 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 | 39714 | 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 | 39714 | 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 | 202849 | 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 | 202849 | 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 | 188300 | 0 | None | -1122 | 5 | 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 | 188300 | 0 | None | -1122 | 5 | 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 | 101504 | 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 | 101504 | 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 | 116598 | 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 | 116598 | 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 | 199109 | 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 | 199109 | 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 | 10392 | 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 | 10392 | 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 | 148986 | 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 | 148986 | 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 | 129575 | 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 | 129575 | 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 | 54564 | 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 | 54564 | 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 | 84763 | 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 | 84763 | 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 | 10392 | 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 | 10392 | 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 | 109937 | 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 | 109937 | 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 | 16472 | 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 | 16472 | 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 | 89695 | 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 | 89695 | 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 | 92389 | 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 | 92389 | 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 | 88979 | 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 | 88979 | 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 | 203358 | 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 | 203358 | 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 | 1632 | 45 | 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 | 1632 | 45 | 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 | 1632 | 45 | 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 | 1632 | 45 | 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 | 1632 | 45 | 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 | 58014 | 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 | 58014 | 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 | 159542 | 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 | 159542 | 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 | 112388 | 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 | 112388 | 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 | 2922 | 33 | 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 | 2922 | 33 | 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 | 2922 | 33 | 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 | 2922 | 33 | 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 | 2922 | 33 | 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 | 63128 | 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 | 63128 | 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 | 123351 | 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 | 123351 | 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 | 102707 | 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 | 102707 | 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 | 104935 | 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 | 104935 | 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 | 62556 | 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 | 62556 | 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 | 131887 | 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 | 131887 | 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 | 9748 | 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 | 9748 | 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 | 118353 | 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 | 118353 | 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 | 9748 | 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 | 9748 | 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 | 99347 | 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 | 99347 | 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 | 109900 | 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 | 109900 | 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 | 113753 | 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 | 113753 | 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 | 7893 | 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 | 7893 | 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 | 58182 | 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 | 58182 | 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 | 115910 | 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 | 115910 | 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 | 119838 | 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 | 119838 | 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 | 168183 | 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 | 168183 | 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 | 57807 | 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 | 57807 | 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 | 60344 | 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 | 60344 | 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 | 180112 | 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 | 180112 | 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 | 166854 | 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 | 166854 | 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 | 206305 | 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 | 206305 | 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 | 3441 | 35 | 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 | 3441 | 35 | 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 | 3441 | 35 | 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 | 206112 | 6 | 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 | 206112 | 6 | 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 | 2922 | 33 | 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 | 2922 | 33 | 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 | 2922 | 33 | 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 | 2922 | 33 | 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 | 2922 | 33 | 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 | 210644 | 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 | 56019 | 94 | 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 | 56019 | 94 | 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 | 57957 | 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 | 57957 | 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 | 39799 | 48 | 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 | 39799 | 48 | 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 | 3720 | 73 | 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 | 3720 | 73 | 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 | 3720 | 73 | 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 | 3720 | 73 | 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 | 3720 | 73 | 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 | 108733 | 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 | 108733 | 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 | 109274 | 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 | 109274 | 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 | 92388 | 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 | 92388 | 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 | 100772 | 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 | 100772 | 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 | 162603 | 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 | 162603 | 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 | 148830 | 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 | 148830 | 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 | 4941 | 5 | 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 | 4941 | 5 | 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 | 198334 | 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 | 198334 | 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 | 906 | 64 | None | -125 | 72 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
621 | 906 | 64 | None | -125 | 72 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
83 | 906 | 64 | None | -125 | 72 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
CHEMBL71 | 906 | 64 | None | -125 | 72 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
DB00477 | 906 | 64 | None | -125 | 72 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
44363435 | 36957 | 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 | 36957 | 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 | 152653 | 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 | 152653 | 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 | 188040 | 92 | 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 | 188040 | 92 | 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 | 3419 | 27 | 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 | 3419 | 27 | 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 | 3419 | 27 | 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 | 3419 | 27 | 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 | 3419 | 27 | 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 | 105176 | 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 | 105176 | 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 | 91877 | 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 | 91877 | 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 | 122028 | 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 | 122028 | 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 | 195361 | 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 | 195361 | 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 | 102402 | 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 | 102402 | 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 | 197186 | 57 | 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 | 197186 | 57 | 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 | 502 | 77 | None | -44 | 41 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
249 | 502 | 77 | None | -44 | 41 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
2603 | 502 | 77 | None | -44 | 41 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
CHEMBL296419 | 502 | 77 | None | -44 | 41 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
DB00637 | 502 | 77 | None | -44 | 41 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
71549635 | 160327 | 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 | 160327 | 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 | 597 | 0 | None | - | 1 | Human | 6.0 | pKd | = | 6 | Binding | Guide to Pharmacology | None | None | None | None | 7682062 | ||||
2115 | 1817 | 17 | 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 | 1817 | 17 | 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 | 1817 | 17 | 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 | 1817 | 17 | 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 | 1817 | 17 | 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 | 1817 | 17 | 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 | 1817 | 17 | 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 | 1817 | 17 | 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 | 1817 | 17 | 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 | 2725 | 21 | None | 102 | 5 | Human | 9.3 | pKd | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 10455255 | ||||
3795 | 2725 | 21 | None | 102 | 5 | Human | 9.3 | pKd | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 10455255 | ||||
5311311 | 2725 | 21 | None | 102 | 5 | Human | 9.3 | pKd | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 10455255 | ||||
CHEMBL217406 | 2725 | 21 | None | 102 | 5 | Human | 9.3 | pKd | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 10455255 | ||||
104974 | 3419 | 27 | 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 | 3419 | 27 | 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 | 3419 | 27 | 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 | 3419 | 27 | 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 | 3419 | 27 | 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 | 195566 | 21 | 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 | 195566 | 21 | 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 | 195566 | 21 | 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 | 195566 | 21 | 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 | 195566 | 21 | 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 | 195566 | 21 | 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 | 214302 | 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 | 214302 | 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 | 195566 | 21 | 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 | 195566 | 21 | 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 | 214302 | 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 | 214302 | 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 | 214302 | 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 | 214302 | 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 | 214304 | 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 | 1480 | 0 | UNDEFINED | -9 | 31 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
60835 | 1480 | 0 | UNDEFINED | -9 | 31 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
972 | 1480 | 0 | UNDEFINED | -9 | 31 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
CHEMBL1175 | 1480 | 0 | UNDEFINED | -9 | 31 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
DB00476 | 1480 | 0 | UNDEFINED | -9 | 31 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
5656 | 201377 | 82 | 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 | 201377 | 82 | 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 | 201437 | 51 | UNDEFINED | -1 | 28 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 255 | 6 | 1 | 2 | 3.7 | CNCC[C@@H](Oc1ccccc1C)c1ccccc1 | None | ||
CHEMBL641 | 201437 | 51 | UNDEFINED | -1 | 28 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 255 | 6 | 1 | 2 | 3.7 | CNCC[C@@H](Oc1ccccc1C)c1ccccc1 | None | ||
3075702 | 215594 | 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 | 1811 | 41 | 3H-NEUROKININ A | -54954 | 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 | 1811 | 41 | 3H-NEUROKININ A | -54954 | 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 | 1811 | 41 | 3H-NEUROKININ A | -54954 | 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 | 1975 | 106 | 125I-NKA | -14454 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
71360 | 1975 | 106 | 125I-NKA | -14454 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
87 | 1975 | 106 | 125I-NKA | -14454 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
CHEMBL14376 | 1975 | 106 | 125I-NKA | -14454 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
DB04946 | 1975 | 106 | 125I-NKA | -14454 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
243 | 3153 | 85 | 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 | 3153 | 85 | 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 | 3153 | 85 | 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 | 3153 | 85 | 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 | 3153 | 85 | 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 | 91403 | 5 | 3H-8-OH-DPAT | -66069 | 46 | Bovine | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 373 | 7 | 0 | 8 | 0.6 | COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 | None | ||
CHEMBL2413154 | 91403 | 5 | 3H-8-OH-DPAT | -66069 | 46 | Bovine | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 373 | 7 | 0 | 8 | 0.6 | COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 | None | ||
44208932 | 140176 | 6 | UNDEFINED | -120226 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 475 | 5 | 1 | 3 | 6.8 | Cc1ccc(Cn2nc(C(=O)NC3C4(C)CCC(C4)C3(C)C)cc2-c2ccc(Cl)c(C)c2)cc1 | None | ||
CHEMBL381689 | 140176 | 6 | UNDEFINED | -120226 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 475 | 5 | 1 | 3 | 6.8 | Cc1ccc(Cn2nc(C(=O)NC3C4(C)CCC(C4)C3(C)C)cc2-c2ccc(Cl)c(C)c2)cc1 | None | ||
5079497 | 214303 | 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 | 214358 | 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 | 214359 | 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 | 214752 | 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 | 3638 | 31 | 125I-[MePhe7]-NKB | -457 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
36511 | 3638 | 31 | 125I-[MePhe7]-NKB | -457 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
3805 | 3638 | 31 | 125I-[MePhe7]-NKB | -457 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
3835 | 3638 | 31 | 125I-[MePhe7]-NKB | -457 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
CHEMBL235363 | 3638 | 31 | 125I-[MePhe7]-NKB | -457 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
133090 | 97971 | 18 | 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 | 97971 | 18 | 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 | 97971 | 18 | 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 | 97971 | 18 | 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 | 214433 | 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 | 214301 | 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 | 214302 | 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 | 214304 | 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 | 214304 | 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 | 214304 | 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 | 214434 | 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 | 214304 | 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 | 214434 | 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 | 214304 | 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 | 214304 | 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 | 214434 | 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 | 197186 | 57 | 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 | 197186 | 57 | 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 | 188040 | 92 | 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 | 188040 | 92 | 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 | 906 | 64 | 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 | 906 | 64 | 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 | 906 | 64 | 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 | 906 | 64 | 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 | 906 | 64 | 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 | 39799 | 48 | 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 | 39799 | 48 | 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 | 1632 | 45 | 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 | 1632 | 45 | 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 | 1632 | 45 | 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 | 1632 | 45 | 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 | 1632 | 45 | 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 | 394 | 63 | 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 | 394 | 63 | 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 | 394 | 63 | 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 | 394 | 63 | 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 | 394 | 63 | 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 | 49951 | 38 | None | -36 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | None | ||
76973198 | 49951 | 38 | None | -36 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | None | ||
CHEMBL157101 | 49951 | 38 | None | -36 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | None | ||
2812 | 4711 | 96 | None | -28 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | None | ||
CHEMBL104 | 4711 | 96 | None | -28 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | None | ||
448537 | 159703 | 86 | 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 | 159703 | 86 | 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 | 197406 | 29 | 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 | 197406 | 29 | 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 | 9743 | 53 | 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 | 9743 | 53 | 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 | 166358 | 71 | 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 | 166358 | 71 | 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 | 166358 | 71 | 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 | 203802 | 73 | 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 | 203802 | 73 | 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 | 203802 | 73 | 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 | 9926 | 58 | 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 | 9926 | 58 | 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 | 15400 | 44 | 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 | 15400 | 44 | 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 | 15400 | 44 | 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 | 205195 | 91 | 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 | 205195 | 91 | 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 | 205195 | 91 | 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 | 99938 | 84 | 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 | 99938 | 84 | 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 | 88153 | 17 | 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 | 88153 | 17 | 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 | 88153 | 17 | 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 | 1263 | 69 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | None | None | None | None | None | ||||
162639143 | 1263 | 69 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | None | None | None | None | None | ||||
5284373 | 1263 | 69 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | None | None | None | None | None | ||||
760 | 1263 | 69 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | None | None | None | None | None | ||||
CHEMBL160 | 1263 | 69 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | None | None | None | None | None | ||||
DB00091 | 1263 | 69 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | None | None | None | None | None | ||||
3598 | 187238 | 73 | 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 | 187238 | 73 | 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 | 2460 | 48 | 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 | 2460 | 48 | 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 | 2460 | 48 | 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 | 2460 | 48 | 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 | 2460 | 48 | 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 | 3234 | 60 | 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 | 3234 | 60 | 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 | 3234 | 60 | 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 | 3234 | 60 | 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 | 3234 | 60 | 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 | 2554 | 56 | 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 | 2554 | 56 | 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 | 2554 | 56 | 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 | 2554 | 56 | 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 | 2554 | 56 | 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 | 3690 | 75 | 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 | 3690 | 75 | 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 | 3690 | 75 | 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 | 3690 | 75 | 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 | 3690 | 75 | 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 | 3690 | 75 | 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 | 17803 | 41 | 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 | 17803 | 41 | 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 | 17803 | 41 | 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 | 502 | 77 | None | -44 | 41 | 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 | 502 | 77 | None | -44 | 41 | 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 | 502 | 77 | None | -44 | 41 | 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 | 502 | 77 | None | -44 | 41 | 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 | 502 | 77 | None | -44 | 41 | 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 | 3720 | 73 | 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 | 3720 | 73 | 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 | 3720 | 73 | 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 | 3720 | 73 | 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 | 3720 | 73 | 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 | 56019 | 94 | 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 | 56019 | 94 | 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 | 11743 | 21 | 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 | 11743 | 21 | 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 | 11743 | 21 | 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 | 11743 | 21 | 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 | 102385 | 93 | 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 | 102385 | 93 | 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 | 175575 | 19 | 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 | 175575 | 19 | 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 | 175575 | 19 | 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 | 175575 | 19 | 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 | 193814 | 39 | 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 | 193814 | 39 | 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 | 193814 | 39 | 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 | 205370 | 82 | 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 | 205370 | 82 | 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 | 205370 | 82 | 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 | 18886 | 34 | 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 | 18886 | 34 | 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 | 195566 | 21 | 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 | 195566 | 21 | 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 | 214304 | 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 | 201790 | 12 | 125I-NKA | -3 | 35 | 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 | 201790 | 12 | 125I-NKA | -3 | 35 | 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 | 201790 | 12 | 125I-NKA | -3 | 35 | 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 | 4085 | 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 | 4085 | 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 | 4085 | 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 | 4085 | 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 | 1616 | 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 | 1616 | 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 | 1616 | 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 | 1889 | 0 | None | -28183 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | None | None | None | None | 11786503 | ||||
164286 | 3220 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | None | None | None | None | 7682062 | ||||
2118 | 3220 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | None | None | None | None | 7682062 | ||||
10327625 | 4061 | 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 | 4061 | 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 | 3687 | 48 | 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 | 3687 | 48 | 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 | 3687 | 48 | 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 | 2922 | 33 | 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 | 2922 | 33 | 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 | 2922 | 33 | 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 | 2922 | 33 | 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 | 2922 | 33 | 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 | 2922 | 33 | 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 | 2922 | 33 | 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 | 2922 | 33 | 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 | 2922 | 33 | 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 | 2922 | 33 | 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 | 2451 | 17 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | None | None | None | None | 7682062 | ||||
2116 | 2451 | 17 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | None | None | None | None | 7682062 | ||||
CHEMBL507824 | 2451 | 17 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | None | None | None | None | 7682062 | ||||
2089 | 2725 | 21 | None | 102 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 11137709 | ||||
2089 | 2725 | 21 | None | 102 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 11786503 | ||||
2089 | 2725 | 21 | None | 102 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 7682062 | ||||
2089 | 2725 | 21 | None | 102 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 9190866 | ||||
3795 | 2725 | 21 | None | 102 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 11137709 | ||||
3795 | 2725 | 21 | None | 102 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 11786503 | ||||
3795 | 2725 | 21 | None | 102 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 7682062 | ||||
3795 | 2725 | 21 | None | 102 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 9190866 | ||||
5311311 | 2725 | 21 | None | 102 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 11137709 | ||||
5311311 | 2725 | 21 | None | 102 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 11786503 | ||||
5311311 | 2725 | 21 | None | 102 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 7682062 | ||||
5311311 | 2725 | 21 | None | 102 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 9190866 | ||||
CHEMBL217406 | 2725 | 21 | None | 102 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 11137709 | ||||
CHEMBL217406 | 2725 | 21 | None | 102 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 11786503 | ||||
CHEMBL217406 | 2725 | 21 | None | 102 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 7682062 | ||||
CHEMBL217406 | 2725 | 21 | None | 102 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 9190866 | ||||
2123 | 2723 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 16979621 | ||||
2123 | 2723 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 9484857 | ||||
3086682 | 2723 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 16979621 | ||||
3086682 | 2723 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 9484857 | ||||
2120 | 4058 | 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 | 4058 | 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 | 4086 | 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 | 4086 | 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 | 3468 | 3 | 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 | 3468 | 3 | 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 | 3468 | 3 | 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 | 2452 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 11063600 | ||||
5311274 | 2452 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 11063600 | ||||
104974 | 3419 | 27 | 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 | 3419 | 27 | 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 | 3419 | 27 | 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 | 3419 | 27 | 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 | 3419 | 27 | 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 | 3419 | 27 | 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 | 3419 | 27 | 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 | 3419 | 27 | 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 | 3419 | 27 | 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 | 3419 | 27 | 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 | 3419 | 27 | 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 | 3419 | 27 | 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 | 3419 | 27 | 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 | 3419 | 27 | 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 | 3419 | 27 | 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 | 3419 | 27 | 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 | 3419 | 27 | 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 | 3419 | 27 | 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 | 3419 | 27 | 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 | 3419 | 27 | 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 | 1827 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | Guide to Pharmacology | None | None | None | None | 8027981 | ||||
6324620 | 1827 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | Guide to Pharmacology | None | None | None | None | 8027981 | ||||
10483085 | 4059 | 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 | 4059 | 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 | 1937 | 15 | 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 | 1937 | 15 | 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 | 1937 | 15 | 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 | 1937 | 15 | 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 | 2726 | 20 | None | -38 | 4 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 7682062 | ||||
2090 | 2726 | 20 | None | -38 | 4 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9190866 | ||||
5311312 | 2726 | 20 | None | -38 | 4 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 7682062 | ||||
5311312 | 2726 | 20 | None | -38 | 4 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9190866 | ||||
CHEMBL437797 | 2726 | 20 | None | -38 | 4 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 7682062 | ||||
CHEMBL437797 | 2726 | 20 | None | -38 | 4 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9190866 | ||||
2098 | 3638 | 31 | None | -457 | 6 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 11786503 | ||||
2098 | 3638 | 31 | None | -457 | 6 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 7682062 | ||||
2098 | 3638 | 31 | None | -457 | 6 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9190866 | ||||
36511 | 3638 | 31 | None | -457 | 6 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 11786503 | ||||
36511 | 3638 | 31 | None | -457 | 6 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 7682062 | ||||
36511 | 3638 | 31 | None | -457 | 6 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9190866 | ||||
3805 | 3638 | 31 | None | -457 | 6 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 11786503 | ||||
3805 | 3638 | 31 | None | -457 | 6 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 7682062 | ||||
3805 | 3638 | 31 | None | -457 | 6 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9190866 | ||||
3835 | 3638 | 31 | None | -457 | 6 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 11786503 | ||||
3835 | 3638 | 31 | None | -457 | 6 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 7682062 | ||||
3835 | 3638 | 31 | None | -457 | 6 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9190866 | ||||
CHEMBL235363 | 3638 | 31 | None | -457 | 6 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 11786503 | ||||
CHEMBL235363 | 3638 | 31 | None | -457 | 6 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 7682062 | ||||
CHEMBL235363 | 3638 | 31 | None | -457 | 6 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9190866 | ||||
2113 | 3045 | 0 | None | -199 | 3 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | None | None | None | None | 9190866 | ||||
2106 | 3490 | 3 | 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 | 3490 | 3 | 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 | 3490 | 3 | 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 |