Ligand source activities (1 row/activity)
| Ligands (move mouse cursor over ligand name to see structure) | Receptor | Assay information | Chemical information | ||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sel. page | Common name |
GPCRdb ID |
#Vendors |
Reference ligand |
Fold selectivity |
# Tested GPCRs |
Species |
p-value (-log) |
Activity Type |
Activity Relation |
Activity Value |
AssayType |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
| CHEMBL1802413 | 215732 | 2 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm300507d | ||||
| CHEMBL1802413 | 215732 | 2 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm200418c | ||||
| 53363725 | 70602 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 933 | 27 | 11 | 10 | -0.5 | CCN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN | 10.1021/jm200418c | ||
| CHEMBL1802479 | 70602 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 933 | 27 | 11 | 10 | -0.5 | CCN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN | 10.1021/jm200418c | ||
| 71458840 | 88954 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 844 | 26 | 12 | 11 | -3.2 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CN(CCO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm300507d | ||
| CHEMBL2170392 | 88954 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 844 | 26 | 12 | 11 | -3.2 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CN(CCO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm300507d | ||
| 71462362 | 88956 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 814 | 24 | 11 | 10 | -2.6 | CN(CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN | 10.1021/jm300507d | ||
| CHEMBL2170397 | 88956 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 814 | 24 | 11 | 10 | -2.6 | CN(CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN | 10.1021/jm300507d | ||
| CHEMBL1802371 | 215727 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | None | None | None | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm200418c | ||||
| 56683368 | 70601 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 982 | 26 | 11 | 12 | -0.9 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(N1CCCCC1)N1CCCCC1 | 10.1021/jm200418c | ||
| CHEMBL1802478 | 70601 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 982 | 26 | 11 | 12 | -0.9 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(N1CCCCC1)N1CCCCC1 | 10.1021/jm200418c | ||
| CHEMBL1802412 | 215731 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm200418c | ||||
| CHEMBL1802433 | 215747 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm200418c | ||||
| 71456973 | 88952 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 830 | 25 | 13 | 11 | -3.5 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNNC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm300507d | ||
| CHEMBL2170390 | 88952 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 830 | 25 | 13 | 11 | -3.5 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNNC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm300507d | ||
| 71462363 | 88959 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 897 | 26 | 11 | 10 | -0.6 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CN(CC1CCCCC1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm300507d | ||
| CHEMBL2170400 | 88959 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 897 | 26 | 11 | 10 | -0.6 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CN(CC1CCCCC1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm300507d | ||
| 145991598 | 173770 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 843 | 25 | 12 | 10 | -2.4 | CCNC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01332 | ||
| CHEMBL4287860 | 173770 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 843 | 25 | 12 | 10 | -2.4 | CCNC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01332 | ||
| CHEMBL1802416 | 215735 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm200418c | ||||
| CHEMBL2170249 | 216129 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm300507d | ||||
| 145979256 | 173428 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 857 | 26 | 12 | 10 | -2.0 | CCCNC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01332 | ||
| CHEMBL4281383 | 173428 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 857 | 26 | 12 | 10 | -2.0 | CCCNC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01332 | ||
| CHEMBL1802484 | 215749 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | None | None | None | CC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm200418c | ||||
| CHEMBL1802364 | 215720 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm200418c | ||||
| 145980372 | 173406 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 871 | 26 | 12 | 10 | -1.8 | CC(C)CNC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01332 | ||
| CHEMBL4280889 | 173406 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 871 | 26 | 12 | 10 | -1.8 | CC(C)CNC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01332 | ||
| CHEMBL1802368 | 215724 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm200418c | ||||
| 71456975 | 88961 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 854 | 25 | 10 | 10 | -0.9 | CCCN(CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCNCC1 | 10.1021/jm300507d | ||
| CHEMBL2170402 | 88961 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 854 | 25 | 10 | 10 | -0.9 | CCCN(CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCNCC1 | 10.1021/jm300507d | ||
| CHEMBL1802425 | 215744 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | None | None | None | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01332 | ||||
| 53363629 | 70593 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 3011 | 98 | 42 | 40 | -11.2 | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(Cc1ccccc1)Cc1ccccc1 | 10.1021/jm200418c | ||
| 91932313 | 70593 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 3011 | 98 | 42 | 40 | -11.2 | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(Cc1ccccc1)Cc1ccccc1 | 10.1021/jm200418c | ||
| CHEMBL1802373 | 70593 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 3011 | 98 | 42 | 40 | -11.2 | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(Cc1ccccc1)Cc1ccccc1 | 10.1021/jm200418c | ||
| CHEMBL1802424 | 215743 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | None | None | None | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm200418c | ||||
| CHEMBL1802367 | 215723 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | None | None | None | CC(C)(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm200418c | ||||
| CHEMBL1802417 | 215736 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm200418c | ||||
| 145981604 | 173236 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 829 | 25 | 12 | 10 | -2.7 | N=C(N)NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01332 | ||
| CHEMBL4277962 | 173236 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 829 | 25 | 12 | 10 | -2.7 | N=C(N)NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01332 | ||
| CHEMBL1802369 | 215725 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | CCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm200418c | ||||
| CHEMBL1802423 | 215742 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm200418c | ||||
| 71451641 | 88953 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 830 | 25 | 12 | 11 | -3.2 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CN(Cc1ccccc1)NC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm300507d | ||
| CHEMBL2170391 | 88953 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 830 | 25 | 12 | 11 | -3.2 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CN(Cc1ccccc1)NC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm300507d | ||
| CHEMBL1802421 | 215740 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | N=C(N)NCCC[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm200418c | ||||
| 56662955 | 70594 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 899 | 25 | 12 | 10 | -1.8 | CC(C)(C)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm200418c | ||
| CHEMBL1802374 | 70594 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 899 | 25 | 12 | 10 | -1.8 | CC(C)(C)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm200418c | ||
| 145990522 | 173814 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 885 | 27 | 12 | 10 | -1.4 | CC(C)CNC(=N)NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01332 | ||
| CHEMBL4288785 | 173814 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 885 | 27 | 12 | 10 | -1.4 | CC(C)CNC(=N)NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01332 | ||
| 56683367 | 70600 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 2997 | 96 | 42 | 42 | -12.8 | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(N1CCCCC1)N1CCCCC1 | 10.1021/jm200418c | ||
| 91932314 | 70600 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 2997 | 96 | 42 | 42 | -12.8 | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(N1CCCCC1)N1CCCCC1 | 10.1021/jm200418c | ||
| CHEMBL1802476 | 70600 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 2997 | 96 | 42 | 42 | -12.8 | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(N1CCCCC1)N1CCCCC1 | 10.1021/jm200418c | ||
| CHEMBL1802422 | 215741 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | N=C(N)NCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm200418c | ||||
| CHEMBL1802415 | 215734 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)CCC(=O)O)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm200418c | ||||
| 71451642 | 88957 | 0 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 856 | 27 | 11 | 10 | -1.4 | CCCCN(CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN | 10.1021/jm300507d | ||
| CHEMBL2170399 | 88957 | 0 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 856 | 27 | 11 | 10 | -1.4 | CCCCN(CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN | 10.1021/jm300507d | ||
| CHEMBL1802432 | 215746 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm200418c | ||||
| CHEMBL1802418 | 215737 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200418c | ||||
| CHEMBL1802431 | 215745 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm200418c | ||||
| 71449832 | 88955 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 874 | 27 | 13 | 12 | -3.8 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CN(CC(O)CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm300507d | ||
| CHEMBL2170396 | 88955 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 874 | 27 | 13 | 12 | -3.8 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CN(CC(O)CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm300507d | ||
| CHEMBL1802370 | 215726 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm200418c | ||||
| CHEMBL1802419 | 215738 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm200418c | ||||
| CHEMBL1802372 | 215728 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm200418c | ||||
| 71453474 | 88960 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 872 | 26 | 12 | 12 | -2.7 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CN(CC(O)CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCCN1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm300507d | ||
| CHEMBL2170401 | 88960 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 872 | 26 | 12 | 12 | -2.7 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CN(CC(O)CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCCN1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm300507d | ||
| 53363631 | 70603 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 2920 | 96 | 43 | 40 | -13.1 | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 | 10.1021/jm200418c | ||
| 91932315 | 70603 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 2920 | 96 | 43 | 40 | -13.1 | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 | 10.1021/jm200418c | ||
| CHEMBL1802480 | 70603 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 2920 | 96 | 43 | 40 | -13.1 | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 | 10.1021/jm200418c | ||
| CHEMBL1802414 | 215733 | 12 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm200418c | ||||
| CHEMBL2170389 | 216130 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm300507d | ||||
| CHEMBL1800099 | 215719 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200418c | ||||
| CHEMBL1802379 | 215730 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | CN(C)C(=NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C | 10.1021/jm200418c | ||||
| CHEMBL4277648 | 220153 | 12 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01332 | ||||
| CHEMBL1802438 | 215748 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | None | None | None | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm200418c | ||||
| 53363817 | 70596 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 978 | 26 | 12 | 10 | -0.7 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm200418c | ||
| CHEMBL1802377 | 70596 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 978 | 26 | 12 | 10 | -0.7 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm200418c | ||
| CHEMBL4284294 | 220224 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | CNC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01332 | ||||
| 145981050 | 173432 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 829 | 24 | 12 | 10 | -2.8 | CNC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01332 | ||
| CHEMBL4281420 | 173432 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 829 | 24 | 12 | 10 | -2.8 | CNC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01332 | ||
| 53363632 | 70604 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 2773 | 92 | 42 | 39 | -13.9 | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCc1ccccc1 | 10.1021/jm200418c | ||
| 91932316 | 70604 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 2773 | 92 | 42 | 39 | -13.9 | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCc1ccccc1 | 10.1021/jm200418c | ||
| CHEMBL1802482 | 70604 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 2773 | 92 | 42 | 39 | -13.9 | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCc1ccccc1 | 10.1021/jm200418c | ||
| 53363897 | 70597 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 909 | 26 | 12 | 11 | -2.0 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)c1ccco1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm200418c | ||
| CHEMBL1802378 | 70597 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 909 | 26 | 12 | 11 | -2.0 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)c1ccco1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm200418c | ||
| 56683331 | 70595 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 919 | 26 | 12 | 10 | -1.6 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm200418c | ||
| CHEMBL1802375 | 70595 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 919 | 26 | 12 | 10 | -1.6 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm200418c | ||
| CHEMBL1802425 | 215744 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm200418c | ||||
| CHEMBL1802425 | 215744 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm300507d | ||||
| CHEMBL1802365 | 215721 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm200418c | ||||
| CHEMBL1802366 | 215722 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm200418c | ||||
| CHEMBL1802376 | 215729 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm200418c | ||||
| 53363899 | 70598 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 951 | 27 | 12 | 10 | -1.5 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)Cc1ccc(F)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm200418c | ||
| CHEMBL1802380 | 70598 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 951 | 27 | 12 | 10 | -1.5 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)Cc1ccc(F)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm200418c | ||
| 71458843 | 88962 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 886 | 26 | 12 | 12 | -3.0 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CN(CC(O)CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm300507d | ||
| CHEMBL2170403 | 88962 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 886 | 26 | 12 | 12 | -3.0 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CN(CC(O)CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm300507d | ||
| CHEMBL1802420 | 215739 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | None | None | None | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm200418c | ||||
| 90644574 | 118586 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 346 | 6 | 2 | 4 | 5.4 | COc1ccc(NC(=N)c2ccsc2)cc1CSC1CCCC1 | 10.1021/ml400519h | ||
| CHEMBL3287586 | 118586 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 346 | 6 | 2 | 4 | 5.4 | COc1ccc(NC(=N)c2ccsc2)cc1CSC1CCCC1 | 10.1021/ml400519h | ||
| 90644564 | 118690 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 340 | 6 | 2 | 3 | 5.3 | COc1ccc(C(=N)Nc2ccccc2)cc1CSC1CCCC1 | 10.1021/ml400519h | ||
| CHEMBL3287824 | 118690 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 340 | 6 | 2 | 3 | 5.3 | COc1ccc(C(=N)Nc2ccccc2)cc1CSC1CCCC1 | 10.1021/ml400519h | ||
| 90644568 | 118694 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 350 | 5 | 2 | 3 | 6.0 | N=C(Nc1ccc(Cl)c(CSC2CCCC2)c1)c1cccs1 | 10.1021/ml400519h | ||
| CHEMBL3287828 | 118694 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 350 | 5 | 2 | 3 | 6.0 | N=C(Nc1ccc(Cl)c(CSC2CCCC2)c1)c1cccs1 | 10.1021/ml400519h | ||
| 90644578 | 118682 | 1 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 374 | 6 | 2 | 3 | 6.0 | COc1ccc(NC(=N)c2ccc(Cl)cc2)cc1CSC1CCCC1 | 10.1021/ml400519h | ||
| CHEMBL3287814 | 118682 | 1 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 374 | 6 | 2 | 3 | 6.0 | COc1ccc(NC(=N)c2ccc(Cl)cc2)cc1CSC1CCCC1 | 10.1021/ml400519h | ||
| 90644563 | 118689 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 314 | 6 | 1 | 4 | 5.0 | COc1ccc(Nc2ccccn2)cc1CSC1CCCC1 | 10.1021/ml400519h | ||
| CHEMBL3287823 | 118689 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 314 | 6 | 1 | 4 | 5.0 | COc1ccc(Nc2ccccn2)cc1CSC1CCCC1 | 10.1021/ml400519h | ||
| 90644576 | 118680 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 424 | 6 | 2 | 4 | 6.1 | COc1ccc(NC(=N)c2cc(Br)cs2)cc1CSC1CCCC1 | 10.1021/ml400519h | ||
| CHEMBL3287812 | 118680 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 424 | 6 | 2 | 4 | 6.1 | COc1ccc(NC(=N)c2cc(Br)cs2)cc1CSC1CCCC1 | 10.1021/ml400519h | ||
| 90644582 | 118685 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 341 | 6 | 2 | 4 | 4.7 | COc1ccc(NC(=N)c2ccncc2)cc1CSC1CCCC1 | 10.1021/ml400519h | ||
| CHEMBL3287818 | 118685 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 341 | 6 | 2 | 4 | 4.7 | COc1ccc(NC(=N)c2ccncc2)cc1CSC1CCCC1 | 10.1021/ml400519h | ||
| 90644566 | 118692 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 330 | 5 | 2 | 3 | 5.7 | Cc1ccc(NC(=N)c2cccs2)cc1CSC1CCCC1 | 10.1021/ml400519h | ||
| CHEMBL3287826 | 118692 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 330 | 5 | 2 | 3 | 5.7 | Cc1ccc(NC(=N)c2cccs2)cc1CSC1CCCC1 | 10.1021/ml400519h | ||
| 90644571 | 118699 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 348 | 6 | 2 | 3 | 5.4 | COc1ccc(NC(=N)c2ccccc2)cc1CSc1ccccc1 | 10.1021/ml400519h | ||
| CHEMBL3287834 | 118699 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 348 | 6 | 2 | 3 | 5.4 | COc1ccc(NC(=N)c2ccccc2)cc1CSc1ccccc1 | 10.1021/ml400519h | ||
| 86302643 | 118678 | 1 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 340 | 6 | 2 | 3 | 5.3 | COc1ccc(NC(=N)c2ccccc2)cc1CSC1CCCC1 | 10.1021/ml400519h | ||
| CHEMBL3287810 | 118678 | 1 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 340 | 6 | 2 | 3 | 5.3 | COc1ccc(NC(=N)c2ccccc2)cc1CSC1CCCC1 | 10.1021/ml400519h | ||
| 90644577 | 118681 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 424 | 6 | 2 | 4 | 6.1 | COc1ccc(NC(=N)c2ccc(Br)s2)cc1CSC1CCCC1 | 10.1021/ml400519h | ||
| CHEMBL3287813 | 118681 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 424 | 6 | 2 | 4 | 6.1 | COc1ccc(NC(=N)c2ccc(Br)s2)cc1CSC1CCCC1 | 10.1021/ml400519h | ||
| 90644587 | 118695 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 400 | 6 | 2 | 4 | 6.3 | N=C(Nc1ccc(OC(F)(F)F)c(CSC2CCCC2)c1)c1cccs1 | 10.1021/ml400519h | ||
| CHEMBL3287829 | 118695 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 400 | 6 | 2 | 4 | 6.3 | N=C(Nc1ccc(OC(F)(F)F)c(CSC2CCCC2)c1)c1cccs1 | 10.1021/ml400519h | ||
| 90644583 | 118686 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 341 | 6 | 2 | 4 | 4.7 | COc1ccc(NC(=N)c2cccnc2)cc1CSC1CCCC1 | 10.1021/ml400519h | ||
| CHEMBL3287819 | 118686 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 341 | 6 | 2 | 4 | 4.7 | COc1ccc(NC(=N)c2cccnc2)cc1CSC1CCCC1 | 10.1021/ml400519h | ||
| 90644585 | 118688 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 360 | 6 | 1 | 4 | 5.4 | C/N=C(/Nc1ccc(OC)c(CSC2CCCC2)c1)c1cccs1 | 10.1021/ml400519h | ||
| CHEMBL3287821 | 118688 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 360 | 6 | 1 | 4 | 5.4 | C/N=C(/Nc1ccc(OC)c(CSC2CCCC2)c1)c1cccs1 | 10.1021/ml400519h | ||
| 90644581 | 118684 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 347 | 6 | 2 | 5 | 4.8 | COc1ccc(NC(=N)c2nccs2)cc1CSC1CCCC1 | 10.1021/ml400519h | ||
| CHEMBL3287817 | 118684 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 347 | 6 | 2 | 5 | 4.8 | COc1ccc(NC(=N)c2nccs2)cc1CSC1CCCC1 | 10.1021/ml400519h | ||
| 90644569 | 118697 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 330 | 6 | 2 | 4 | 4.7 | COc1ccc(NC(=N)c2cccs2)cc1COC1CCCC1 | 10.1021/ml400519h | ||
| CHEMBL3287832 | 118697 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 330 | 6 | 2 | 4 | 4.7 | COc1ccc(NC(=N)c2cccs2)cc1COC1CCCC1 | 10.1021/ml400519h | ||
| 90644572 | 118700 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 351 | 6 | 3 | 3 | 3.9 | COc1ccc(NC(=N)c2ccccc2)cc1CNC(=O)C1CCCC1 | 10.1021/ml400519h | ||
| CHEMBL3287835 | 118700 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 351 | 6 | 3 | 3 | 3.9 | COc1ccc(NC(=N)c2ccccc2)cc1CNC(=O)C1CCCC1 | 10.1021/ml400519h | ||
| 2853458 | 201157 | 56 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 229 | 1 | 3 | 3 | 1.9 | Cc1cc2nc(NC(=N)N)nc(C)c2cc1C | 10.1021/ml400519h | ||
| CHEMBL528724 | 201157 | 56 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 229 | 1 | 3 | 3 | 1.9 | Cc1cc2nc(NC(=N)N)nc(C)c2cc1C | 10.1021/ml400519h | ||
| 90644570 | 118698 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 322 | 6 | 2 | 2 | 5.3 | COc1ccc(NC(=N)c2ccccc2)cc1CCC1CCCC1 | 10.1021/ml400519h | ||
| CHEMBL3287833 | 118698 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 322 | 6 | 2 | 2 | 5.3 | COc1ccc(NC(=N)c2ccccc2)cc1CCC1CCCC1 | 10.1021/ml400519h | ||
| 90644589 | 118696 | 0 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 372 | 6 | 2 | 4 | 4.0 | COc1ccc(NC(=N)c2ccccc2)cc1CS(=O)(=O)C1CCCC1 | 10.1021/ml400519h | ||
| CHEMBL3287831 | 118696 | 0 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 372 | 6 | 2 | 4 | 4.0 | COc1ccc(NC(=N)c2ccccc2)cc1CS(=O)(=O)C1CCCC1 | 10.1021/ml400519h | ||
| 90644573 | 118584 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 346 | 6 | 2 | 4 | 5.4 | COc1ccc(NC(=N)c2cccs2)cc1CSC1CCCC1 | 10.1021/ml400519h | ||
| CHEMBL3287584 | 118584 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 346 | 6 | 2 | 4 | 5.4 | COc1ccc(NC(=N)c2cccs2)cc1CSC1CCCC1 | 10.1021/ml400519h | ||
| 90644567 | 118693 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 334 | 5 | 2 | 3 | 5.5 | N=C(Nc1ccc(F)c(CSC2CCCC2)c1)c1cccs1 | 10.1021/ml400519h | ||
| CHEMBL3287827 | 118693 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 334 | 5 | 2 | 3 | 5.5 | N=C(Nc1ccc(F)c(CSC2CCCC2)c1)c1cccs1 | 10.1021/ml400519h | ||
| 145985182 | 173186 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 439 | 3 | 0 | 4 | 4.0 | C[C+]1CN(C(=O)c2cc3cc(Br)ncc3n2C)Cc2ccc(CN(C)C)cc21 | 10.1021/acs.jmedchem.8b01332 | ||
| CHEMBL4277047 | 173186 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 439 | 3 | 0 | 4 | 4.0 | C[C+]1CN(C(=O)c2cc3cc(Br)ncc3n2C)Cc2ccc(CN(C)C)cc21 | 10.1021/acs.jmedchem.8b01332 | ||
| 145979951 | 173453 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 843 | 24 | 11 | 10 | -2.4 | CN(C)C(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01332 | ||
| CHEMBL4281854 | 173453 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 843 | 24 | 11 | 10 | -2.4 | CN(C)C(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01332 | ||
| 90644575 | 118679 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 360 | 6 | 2 | 4 | 5.7 | COc1ccc(NC(=N)c2cc(C)cs2)cc1CSC1CCCC1 | 10.1021/ml400519h | ||
| CHEMBL3287811 | 118679 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 360 | 6 | 2 | 4 | 5.7 | COc1ccc(NC(=N)c2cc(C)cs2)cc1CSC1CCCC1 | 10.1021/ml400519h | ||
| 90644579 | 118683 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 354 | 7 | 2 | 3 | 5.5 | COc1ccc(NC(=N)Cc2ccccc2)cc1CSC1CCCC1 | 10.1021/ml400519h | ||
| CHEMBL3287815 | 118683 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 354 | 7 | 2 | 3 | 5.5 | COc1ccc(NC(=N)Cc2ccccc2)cc1CSC1CCCC1 | 10.1021/ml400519h | ||
| 11999842 | 118585 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 424 | 6 | 1 | 5 | 3.6 | COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(OC)c2c1CC[C@@H](N(C)C)C2 | 10.1021/ml400519h | ||
| CHEMBL3287585 | 118585 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 424 | 6 | 1 | 5 | 3.6 | COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(OC)c2c1CC[C@@H](N(C)C)C2 | 10.1021/ml400519h | ||
| 90644565 | 118691 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 316 | 5 | 2 | 3 | 5.4 | N=C(Nc1cccc(CSC2CCCC2)c1)c1cccs1 | 10.1021/ml400519h | ||
| CHEMBL3287825 | 118691 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 316 | 5 | 2 | 3 | 5.4 | N=C(Nc1cccc(CSC2CCCC2)c1)c1cccs1 | 10.1021/ml400519h | ||
| 90644584 | 118687 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 347 | 6 | 1 | 4 | 5.2 | COc1ccc(NC(=O)c2cccs2)cc1CSC1CCCC1 | 10.1021/ml400519h | ||
| CHEMBL3287820 | 118687 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 347 | 6 | 1 | 4 | 5.2 | COc1ccc(NC(=O)c2cccs2)cc1CSC1CCCC1 | 10.1021/ml400519h | ||
| 145981658 | 173304 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 857 | 24 | 10 | 10 | -2.4 | C/N=C(\NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C | 10.1021/acs.jmedchem.8b01332 | ||
| CHEMBL4279100 | 173304 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 857 | 24 | 10 | 10 | -2.4 | C/N=C(\NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C | 10.1021/acs.jmedchem.8b01332 | ||
| 10252 | 9168 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | Guide to Pharmacology | None | None | None | None | 30358997 | ||||
| 12420 | 9169 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | Guide to Pharmacology | None | None | None | None | 34299587 | ||||
| 9442 | 9167 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | Guide to Pharmacology | None | None | None | None | 22800498 | ||||
| 3712 | 10027 | 0 | None | - | 1 | Mouse | 6.9 | pEC50 | = | 6.9 | Functional | Guide to Pharmacology | None | None | None | None | 16648250 | ||||
| 3713 | 10026 | 0 | None | -3 | 2 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | None | None | None | None | 16648250 | ||||
| 3665 | 10028 | 0 | None | -19 | 3 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | Guide to Pharmacology | None | None | None | None | 16648250 | ||||
| 3713 | 10026 | 0 | None | 3 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | Guide to Pharmacology | None | None | None | None | 16648250 | ||||
| 3665 | 10028 | 0 | None | -6 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | Guide to Pharmacology | None | None | None | None | 16500002 | ||||
| 3665 | 10028 | 0 | None | -6 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | Guide to Pharmacology | None | None | None | None | 23396314 | ||||
| 5895 | 10025 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Guide to Pharmacology | None | None | None | None | 12714592 | ||||
| 5895 | 10025 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Guide to Pharmacology | None | None | None | None | 14657341 | ||||
| 5896 | 10024 | 0 | None | - | 1 | Mouse | 8.2 | pEC50 | = | 8.2 | Functional | Guide to Pharmacology | None | None | None | None | 12714592 | ||||
| 78210300 | 7833 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | Guide to Pharmacology | 440 | 3 | 0 | 4 | 4.2 | CN(Cc1ccc2c(c1)C(C)CN(C2)C(=O)c1cc2c(n1C)cnc(c2)Br)C | 24937104 | ||
| 78210300 | 7833 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | Guide to Pharmacology | 440 | 3 | 0 | 4 | 4.2 | CN(Cc1ccc2c(c1)C(C)CN(C2)C(=O)c1cc2c(n1C)cnc(c2)Br)C | 25875054 | ||
| 9443 | 7833 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | Guide to Pharmacology | 440 | 3 | 0 | 4 | 4.2 | CN(Cc1ccc2c(c1)C(C)CN(C2)C(=O)c1cc2c(n1C)cnc(c2)Br)C | 24937104 | ||
| 9443 | 7833 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | Guide to Pharmacology | 440 | 3 | 0 | 4 | 4.2 | CN(Cc1ccc2c(c1)C(C)CN(C2)C(=O)c1cc2c(n1C)cnc(c2)Br)C | 25875054 | ||
| CHEMBL3314358 | 7833 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | Guide to Pharmacology | 440 | 3 | 0 | 4 | 4.2 | CN(Cc1ccc2c(c1)C(C)CN(C2)C(=O)c1cc2c(n1C)cnc(c2)Br)C | 24937104 | ||
| CHEMBL3314358 | 7833 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | Guide to Pharmacology | 440 | 3 | 0 | 4 | 4.2 | CN(Cc1ccc2c(c1)C(C)CN(C2)C(=O)c1cc2c(n1C)cnc(c2)Br)C | 25875054 | ||
| 3665 | 10028 | 0 | None | 6 | 3 | Rat | 8.5 | pIC50 | = | 8.5 | Functional | Guide to Pharmacology | None | None | None | None | 12960173 | ||||
| 3665 | 10028 | 0 | None | 6 | 3 | Rat | 8.5 | pIC50 | = | 8.5 | Functional | Guide to Pharmacology | None | None | None | None | 14657341 | ||||
| 3665 | 10028 | 0 | None | 6 | 3 | Rat | 8.5 | pIC50 | = | 8.5 | Functional | Guide to Pharmacology | None | None | None | None | 16648250 | ||||
| Ligands (move mouse cursor over ligand name to see structure) | Receptor | Assay information | Chemical information | |||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sel. page | Similar- ity |
Common name |
GPCRdb ID |
#Vendors |
Reference ligand |
Fold selectivity |
# Tested GPCRs |
Species |
p-value (-log) |
Activity Type |
Activity Relation |
Activity Value |
Assay Type |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
| CHEMBL1802413 | 215732 | 2 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm300507d | |||||
| 90644575 | 118679 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 360 | 6 | 2 | 4 | 5.7 | COc1ccc(NC(=N)c2cc(C)cs2)cc1CSC1CCCC1 | 10.1021/ml400519h | |||
| CHEMBL3287811 | 118679 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 360 | 6 | 2 | 4 | 5.7 | COc1ccc(NC(=N)c2cc(C)cs2)cc1CSC1CCCC1 | 10.1021/ml400519h | |||
| 90644566 | 118692 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 330 | 5 | 2 | 3 | 5.7 | Cc1ccc(NC(=N)c2cccs2)cc1CSC1CCCC1 | 10.1021/ml400519h | |||
| CHEMBL3287826 | 118692 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 330 | 5 | 2 | 3 | 5.7 | Cc1ccc(NC(=N)c2cccs2)cc1CSC1CCCC1 | 10.1021/ml400519h | |||
| 90644569 | 118697 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 330 | 6 | 2 | 4 | 4.7 | COc1ccc(NC(=N)c2cccs2)cc1COC1CCCC1 | 10.1021/ml400519h | |||
| CHEMBL3287832 | 118697 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 330 | 6 | 2 | 4 | 4.7 | COc1ccc(NC(=N)c2cccs2)cc1COC1CCCC1 | 10.1021/ml400519h | |||
| 78210300 | 7833 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 440 | 3 | 0 | 4 | 4.2 | CN(Cc1ccc2c(c1)C(C)CN(C2)C(=O)c1cc2c(n1C)cnc(c2)Br)C | 10.1021/jm401951t | |||
| 9443 | 7833 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 440 | 3 | 0 | 4 | 4.2 | CN(Cc1ccc2c(c1)C(C)CN(C2)C(=O)c1cc2c(n1C)cnc(c2)Br)C | 10.1021/jm401951t | |||
| CHEMBL3314358 | 7833 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 440 | 3 | 0 | 4 | 4.2 | CN(Cc1ccc2c(c1)C(C)CN(C2)C(=O)c1cc2c(n1C)cnc(c2)Br)C | 10.1021/jm401951t | |||
| 90644574 | 118586 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 346 | 6 | 2 | 4 | 5.4 | COc1ccc(NC(=N)c2ccsc2)cc1CSC1CCCC1 | 10.1021/ml400519h | |||
| CHEMBL3287586 | 118586 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 346 | 6 | 2 | 4 | 5.4 | COc1ccc(NC(=N)c2ccsc2)cc1CSC1CCCC1 | 10.1021/ml400519h | |||
| 90644577 | 118681 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 424 | 6 | 2 | 4 | 6.1 | COc1ccc(NC(=N)c2ccc(Br)s2)cc1CSC1CCCC1 | 10.1021/ml400519h | |||
| CHEMBL3287813 | 118681 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 424 | 6 | 2 | 4 | 6.1 | COc1ccc(NC(=N)c2ccc(Br)s2)cc1CSC1CCCC1 | 10.1021/ml400519h | |||
| 90644567 | 118693 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 334 | 5 | 2 | 3 | 5.5 | N=C(Nc1ccc(F)c(CSC2CCCC2)c1)c1cccs1 | 10.1021/ml400519h | |||
| CHEMBL3287827 | 118693 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 334 | 5 | 2 | 3 | 5.5 | N=C(Nc1ccc(F)c(CSC2CCCC2)c1)c1cccs1 | 10.1021/ml400519h | |||
| 118707555 | 119948 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 474 | 3 | 0 | 4 | 3.4 | CN(C)Cc1ccc2c(c1)CCN(C(=O)c1cc3cc(I)ncc3n1C)C2 | 10.1021/jm401951t | |||
| CHEMBL3314354 | 119948 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 474 | 3 | 0 | 4 | 3.4 | CN(C)Cc1ccc2c(c1)CCN(C(=O)c1cc3cc(I)ncc3n1C)C2 | 10.1021/jm401951t | |||
| 90644573 | 118584 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 346 | 6 | 2 | 4 | 5.4 | COc1ccc(NC(=N)c2cccs2)cc1CSC1CCCC1 | 10.1021/ml400519h | |||
| CHEMBL3287584 | 118584 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 346 | 6 | 2 | 4 | 5.4 | COc1ccc(NC(=N)c2cccs2)cc1CSC1CCCC1 | 10.1021/ml400519h | |||
| 118707554 | 119947 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 362 | 3 | 0 | 4 | 3.1 | Cc1cc2cc(C(=O)N3CCc4cc(CN(C)C)ccc4C3)n(C)c2cn1 | 10.1021/jm401951t | |||
| CHEMBL3314353 | 119947 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 362 | 3 | 0 | 4 | 3.1 | Cc1cc2cc(C(=O)N3CCc4cc(CN(C)C)ccc4C3)n(C)c2cn1 | 10.1021/jm401951t | |||
| 90644570 | 118698 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 322 | 6 | 2 | 2 | 5.3 | COc1ccc(NC(=N)c2ccccc2)cc1CCC1CCCC1 | 10.1021/ml400519h | |||
| CHEMBL3287833 | 118698 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 322 | 6 | 2 | 2 | 5.3 | COc1ccc(NC(=N)c2ccccc2)cc1CCC1CCCC1 | 10.1021/ml400519h | |||
| 71458843 | 88962 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 886 | 26 | 12 | 12 | -3.0 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CN(CC(O)CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm300507d | |||
| CHEMBL2170403 | 88962 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 886 | 26 | 12 | 12 | -3.0 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CN(CC(O)CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm300507d | |||
| 118707553 | 119946 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 426 | 3 | 0 | 4 | 3.6 | CN(C)Cc1ccc2c(c1)CCN(C(=O)c1cc3cc(Br)ncc3n1C)C2 | 10.1021/jm401951t | |||
| CHEMBL3314352 | 119946 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 426 | 3 | 0 | 4 | 3.6 | CN(C)Cc1ccc2c(c1)CCN(C(=O)c1cc3cc(Br)ncc3n1C)C2 | 10.1021/jm401951t | |||
| 86302643 | 118678 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 340 | 6 | 2 | 3 | 5.3 | COc1ccc(NC(=N)c2ccccc2)cc1CSC1CCCC1 | 10.1021/ml400519h | |||
| CHEMBL3287810 | 118678 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 340 | 6 | 2 | 3 | 5.3 | COc1ccc(NC(=N)c2ccccc2)cc1CSC1CCCC1 | 10.1021/ml400519h | |||
| 90644565 | 118691 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 316 | 5 | 2 | 3 | 5.4 | N=C(Nc1cccc(CSC2CCCC2)c1)c1cccs1 | 10.1021/ml400519h | |||
| CHEMBL3287825 | 118691 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 316 | 5 | 2 | 3 | 5.4 | N=C(Nc1cccc(CSC2CCCC2)c1)c1cccs1 | 10.1021/ml400519h | |||
| 90644581 | 118684 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 347 | 6 | 2 | 5 | 4.8 | COc1ccc(NC(=N)c2nccs2)cc1CSC1CCCC1 | 10.1021/ml400519h | |||
| CHEMBL3287817 | 118684 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 347 | 6 | 2 | 5 | 4.8 | COc1ccc(NC(=N)c2nccs2)cc1CSC1CCCC1 | 10.1021/ml400519h | |||
| 118707553 | 119946 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 426 | 3 | 0 | 4 | 3.6 | CN(C)Cc1ccc2c(c1)CCN(C(=O)c1cc3cc(Br)ncc3n1C)C2 | 10.1021/jm401951t | |||
| CHEMBL3314352 | 119946 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 426 | 3 | 0 | 4 | 3.6 | CN(C)Cc1ccc2c(c1)CCN(C(=O)c1cc3cc(Br)ncc3n1C)C2 | 10.1021/jm401951t | |||
| 118707552 | 119945 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 348 | 3 | 0 | 4 | 2.8 | CN(C)Cc1ccc2c(c1)CCN(C(=O)c1cc3ccncc3n1C)C2 | 10.1021/jm401951t | |||
| CHEMBL3314351 | 119945 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 348 | 3 | 0 | 4 | 2.8 | CN(C)Cc1ccc2c(c1)CCN(C(=O)c1cc3ccncc3n1C)C2 | 10.1021/jm401951t | |||
| 71456973 | 88952 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 830 | 25 | 13 | 11 | -3.5 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNNC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm300507d | |||
| CHEMBL2170390 | 88952 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 830 | 25 | 13 | 11 | -3.5 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNNC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm300507d | |||
| 118707557 | 119950 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 416 | 3 | 0 | 4 | 3.9 | CN(C)Cc1ccc2c(c1)CCN(C(=O)c1cc3cc(C(F)(F)F)ncc3n1C)C2 | 10.1021/jm401951t | |||
| CHEMBL3314356 | 119950 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 416 | 3 | 0 | 4 | 3.9 | CN(C)Cc1ccc2c(c1)CCN(C(=O)c1cc3cc(C(F)(F)F)ncc3n1C)C2 | 10.1021/jm401951t | |||
| 90644578 | 118682 | 1 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 374 | 6 | 2 | 3 | 6.0 | COc1ccc(NC(=N)c2ccc(Cl)cc2)cc1CSC1CCCC1 | 10.1021/ml400519h | |||
| CHEMBL3287814 | 118682 | 1 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 374 | 6 | 2 | 3 | 6.0 | COc1ccc(NC(=N)c2ccc(Cl)cc2)cc1CSC1CCCC1 | 10.1021/ml400519h | |||
| 90644564 | 118690 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 340 | 6 | 2 | 3 | 5.3 | COc1ccc(C(=N)Nc2ccccc2)cc1CSC1CCCC1 | 10.1021/ml400519h | |||
| CHEMBL3287824 | 118690 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 340 | 6 | 2 | 3 | 5.3 | COc1ccc(C(=N)Nc2ccccc2)cc1CSC1CCCC1 | 10.1021/ml400519h | |||
| 90644568 | 118694 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 350 | 5 | 2 | 3 | 6.0 | N=C(Nc1ccc(Cl)c(CSC2CCCC2)c1)c1cccs1 | 10.1021/ml400519h | |||
| CHEMBL3287828 | 118694 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 350 | 5 | 2 | 3 | 6.0 | N=C(Nc1ccc(Cl)c(CSC2CCCC2)c1)c1cccs1 | 10.1021/ml400519h | |||
| 118707562 | 119954 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 395 | 3 | 0 | 3 | 4.4 | Cc1cc2c(cc1CN(C)C)CCN(C(=O)c1cc3cc(Cl)ccc3n1C)C2 | 10.1021/jm401951t | |||
| CHEMBL3314362 | 119954 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 395 | 3 | 0 | 3 | 4.4 | Cc1cc2c(cc1CN(C)C)CCN(C(=O)c1cc3cc(Cl)ccc3n1C)C2 | 10.1021/jm401951t | |||
| 118707562 | 119954 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 395 | 3 | 0 | 3 | 4.4 | Cc1cc2c(cc1CN(C)C)CCN(C(=O)c1cc3cc(Cl)ccc3n1C)C2 | 10.1021/jm401951t | |||
| CHEMBL3314362 | 119954 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 395 | 3 | 0 | 3 | 4.4 | Cc1cc2c(cc1CN(C)C)CCN(C(=O)c1cc3cc(Cl)ccc3n1C)C2 | 10.1021/jm401951t | |||
| 118707561 | 119953 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 396 | 3 | 0 | 4 | 4.0 | CC(c1ccc2c(c1)CCN(C(=O)c1cc3cc(Cl)ncc3n1C)C2)N(C)C | 10.1021/jm401951t | |||
| CHEMBL3314361 | 119953 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 396 | 3 | 0 | 4 | 4.0 | CC(c1ccc2c(c1)CCN(C(=O)c1cc3cc(Cl)ncc3n1C)C2)N(C)C | 10.1021/jm401951t | |||
| 118707559 | 119951 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 396 | 3 | 0 | 4 | 4.0 | CC1c2ccc(CN(C)C)cc2CCN1C(=O)c1cc2cc(Cl)ncc2n1C | 10.1021/jm401951t | |||
| CHEMBL3314359 | 119951 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 396 | 3 | 0 | 4 | 4.0 | CC1c2ccc(CN(C)C)cc2CCN1C(=O)c1cc2cc(Cl)ncc2n1C | 10.1021/jm401951t | |||
| 90644583 | 118686 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 341 | 6 | 2 | 4 | 4.7 | COc1ccc(NC(=N)c2cccnc2)cc1CSC1CCCC1 | 10.1021/ml400519h | |||
| CHEMBL3287819 | 118686 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 341 | 6 | 2 | 4 | 4.7 | COc1ccc(NC(=N)c2cccnc2)cc1CSC1CCCC1 | 10.1021/ml400519h | |||
| 2853458 | 201157 | 56 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 229 | 1 | 3 | 3 | 1.9 | Cc1cc2nc(NC(=N)N)nc(C)c2cc1C | 10.1021/ml400519h | |||
| CHEMBL528724 | 201157 | 56 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 229 | 1 | 3 | 3 | 1.9 | Cc1cc2nc(NC(=N)N)nc(C)c2cc1C | 10.1021/ml400519h | |||
| 118707551 | 119944 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 382 | 3 | 0 | 4 | 3.5 | CN(C)Cc1ccc2c(c1)CCN(C(=O)c1cc3cc(Cl)ncc3n1C)C2 | 10.1021/jm401951t | |||
| CHEMBL3314350 | 119944 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 382 | 3 | 0 | 4 | 3.5 | CN(C)Cc1ccc2c(c1)CCN(C(=O)c1cc3cc(Cl)ncc3n1C)C2 | 10.1021/jm401951t | |||
| 118707556 | 119949 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 372 | 3 | 0 | 4 | 2.8 | C#Cc1cc2cc(C(=O)N3CCc4cc(CN(C)C)ccc4C3)n(C)c2cn1 | 10.1021/jm401951t | |||
| CHEMBL3314355 | 119949 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 372 | 3 | 0 | 4 | 2.8 | C#Cc1cc2cc(C(=O)N3CCc4cc(CN(C)C)ccc4C3)n(C)c2cn1 | 10.1021/jm401951t | |||
| 90644585 | 118688 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 360 | 6 | 1 | 4 | 5.4 | C/N=C(/Nc1ccc(OC)c(CSC2CCCC2)c1)c1cccs1 | 10.1021/ml400519h | |||
| CHEMBL3287821 | 118688 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 360 | 6 | 1 | 4 | 5.4 | C/N=C(/Nc1ccc(OC)c(CSC2CCCC2)c1)c1cccs1 | 10.1021/ml400519h | |||
| 58080768 | 119943 | 1 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 381 | 3 | 0 | 3 | 4.1 | CN(C)Cc1ccc2c(c1)CCN(C(=O)c1cc3cc(Cl)ccc3n1C)C2 | 10.1021/jm401951t | |||
| CHEMBL3314349 | 119943 | 1 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 381 | 3 | 0 | 3 | 4.1 | CN(C)Cc1ccc2c(c1)CCN(C(=O)c1cc3cc(Cl)ccc3n1C)C2 | 10.1021/jm401951t | |||
| 58080768 | 119943 | 1 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 381 | 3 | 0 | 3 | 4.1 | CN(C)Cc1ccc2c(c1)CCN(C(=O)c1cc3cc(Cl)ccc3n1C)C2 | 10.1021/jm401951t | |||
| CHEMBL3314349 | 119943 | 1 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 381 | 3 | 0 | 3 | 4.1 | CN(C)Cc1ccc2c(c1)CCN(C(=O)c1cc3cc(Cl)ccc3n1C)C2 | 10.1021/jm401951t | |||
| 118707560 | 119952 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 396 | 3 | 0 | 4 | 3.9 | CC1Cc2cc(CN(C)C)ccc2CN1C(=O)c1cc2cc(Cl)ncc2n1C | 10.1021/jm401951t | |||
| CHEMBL3314360 | 119952 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 396 | 3 | 0 | 4 | 3.9 | CC1Cc2cc(CN(C)C)ccc2CN1C(=O)c1cc2cc(Cl)ncc2n1C | 10.1021/jm401951t | |||
| 11999842 | 118585 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 424 | 6 | 1 | 5 | 3.6 | COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(OC)c2c1CC[C@@H](N(C)C)C2 | 10.1021/ml400519h | |||
| CHEMBL3287585 | 118585 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 424 | 6 | 1 | 5 | 3.6 | COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(OC)c2c1CC[C@@H](N(C)C)C2 | 10.1021/ml400519h | |||
| 90644571 | 118699 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 348 | 6 | 2 | 3 | 5.4 | COc1ccc(NC(=N)c2ccccc2)cc1CSc1ccccc1 | 10.1021/ml400519h | |||
| CHEMBL3287834 | 118699 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 348 | 6 | 2 | 3 | 5.4 | COc1ccc(NC(=N)c2ccccc2)cc1CSc1ccccc1 | 10.1021/ml400519h | |||
| 90644572 | 118700 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 351 | 6 | 3 | 3 | 3.9 | COc1ccc(NC(=N)c2ccccc2)cc1CNC(=O)C1CCCC1 | 10.1021/ml400519h | |||
| CHEMBL3287835 | 118700 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 351 | 6 | 3 | 3 | 3.9 | COc1ccc(NC(=N)c2ccccc2)cc1CNC(=O)C1CCCC1 | 10.1021/ml400519h | |||
| CHEMBL1802425 | 215744 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | None | None | None | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm300507d | |||||
| 118707562 | 119954 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 395 | 3 | 0 | 3 | 4.4 | Cc1cc2c(cc1CN(C)C)CCN(C(=O)c1cc3cc(Cl)ccc3n1C)C2 | 10.1021/jm401951t | |||
| CHEMBL3314362 | 119954 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 395 | 3 | 0 | 3 | 4.4 | Cc1cc2c(cc1CN(C)C)CCN(C(=O)c1cc3cc(Cl)ccc3n1C)C2 | 10.1021/jm401951t | |||
| CHEMBL1802414 | 215733 | 12 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.1c00256 | |||||