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 |
CHEMBL3102930 | 217817 | 0 | None | - | 1 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@]1(C)CCCC/C=C\CCCC[C@](C)(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc2cnc[nH]2)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N1)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O | 10.1021/ml400257h | ||||
168299476 | 199525 | 0 | None | -1 | 3 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 4660 | 165 | 74 | 67 | -19.8 | CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)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](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O)C(C)C)C(C)C)C(C)C)[C@@H](C)O | 10.1021/acs.jmedchem.0c01396 | ||
CHEMBL5220770 | 199525 | 0 | None | -1 | 3 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 4660 | 165 | 74 | 67 | -19.8 | CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)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](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O)C(C)C)C(C)C)C(C)C)[C@@H](C)O | 10.1021/acs.jmedchem.0c01396 | ||
CHEMBL4294827 | 220311 | 0 | None | 2 | 2 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CNC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)NC(CC(N)=O)CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O | nan | ||||
CHEMBL1893324 | 215839 | 24 | None | -1 | 3 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(C)C)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.0c01396 | ||||
2263 | 7045 | 0 | None | -1 | 3 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0609059 | ||||
44566111 | 7045 | 0 | None | -1 | 3 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0609059 | ||||
CHEMBL219499 | 7045 | 0 | None | -1 | 3 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0609059 | ||||
CHEMBL3102924 | 217811 | 0 | None | - | 1 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCCNC(=O)CC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc2cnc[nH]2)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O | 10.1021/ml400257h | ||||
CHEMBL3102925 | 217812 | 0 | None | - | 1 | Human | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)CC)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(C)C | 10.1021/ml400257h | ||||
CHEMBL3102919 | 217806 | 0 | None | - | 1 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/ml400257h | ||||
CHEMBL4277441 | 220150 | 0 | None | 1202 | 2 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCCN)CC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(C)C | nan | ||||
1152 | 10767 | 16 | None | -3 | 8 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/ml400257h | ||||
16129679 | 10767 | 16 | None | -3 | 8 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/ml400257h | ||||
53395115 | 10767 | 16 | None | -3 | 8 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/ml400257h | ||||
91898389 | 10767 | 16 | None | -3 | 8 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/ml400257h | ||||
CHEMBL1981592 | 10767 | 16 | None | -3 | 8 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/ml400257h | ||||
CHEMBL3102922 | 217809 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/ml400257h | ||||
CHEMBL3102929 | 217816 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | C=CCCC[C@](C)(NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@](C)(CCCC=C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(C)C)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)C(C)C)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O | 10.1021/ml400257h | ||||
CHEMBL3102931 | 217818 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@]1(C)CCCC/C=C\CCCC[C@](C)(NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc2cnc[nH]2)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O | 10.1021/ml400257h | ||||
CHEMBL3102921 | 217808 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/ml400257h | ||||
CHEMBL3105020 | 217850 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@]1(C)CCCC/C=C\CCCC[C@@](C)(C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC1=O)C(C)C | 10.1021/ml400257h | ||||
CHEMBL4291119 | 220285 | 0 | None | 22 | 2 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)NC(CCCCN)CC(=O)NCC(=O)NCC(=O)N[C@H](C(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(C)C | nan | ||||
CHEMBL4277799 | 220159 | 0 | None | 977 | 2 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(C)(C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCCN)CC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCCC(=O)N[C@H](C(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(C)C | nan | ||||
CHEMBL4285873 | 220238 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCCN)CC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCCC(=O)N[C@H](C(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(C)C | nan | ||||
CHEMBL440082 | 220639 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(C)C)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)O | 10.1021/jm0609059 | ||||
CHEMBL4282016 | 220207 | 0 | None | 204 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCCN)CC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCCC(=O)N[C@H](C(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O | nan | ||||
CHEMBL4281547 | 220200 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(C)(C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCCN)CC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCCC(=O)N[C@H](C(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(C)C | nan | ||||
CHEMBL4277870 | 220160 | 0 | None | 1659 | 2 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCCN)CC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCCC(=O)N[C@H](C(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(C)C | nan | ||||
CHEMBL4294951 | 220313 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCCN)CC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCCC(=O)N[C@H](C(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(C)C | nan | ||||
CHEMBL4289726 | 220266 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H]1CCC[C@@H]1C(=O)NC(CC(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)NCCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCCN)CC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCCC(=O)N[C@H](C(=O)O)[C@@H](C)O)[C@@H](C)O)Cc1ccc(O)cc1)[C@@H](C)O | nan | ||||
CHEMBL3102923 | 217810 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCCNC(=O)CC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc2cnc[nH]2)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N1)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O | 10.1021/ml400257h | ||||
CHEMBL4291903 | 220290 | 0 | None | 660 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H]1CCC[C@@H]1C(=O)NC(CC(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCCN)CC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCCC(=O)N[C@H](C(=O)O)[C@@H](C)O)CC(C)C)[C@@H](C)O)Cc1ccc(O)cc1)[C@@H](C)O | nan | ||||
CHEMBL4276843 | 220146 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)NC(CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCCN)CC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCCC(=O)N[C@H](C(=O)O)[C@@H](C)O)CC(C)C)[C@@H](C)O)[C@@H](C)O)C(C)C | nan | ||||
CHEMBL4286419 | 220242 | 0 | None | 234 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)NC(CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CCCCN)CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCCN)CC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCCC(=O)N[C@H](C(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(C)C | nan | ||||
CHEMBL4282364 | 220210 | 0 | None | 1071 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)NC(CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NC(CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCCN)CC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCCC(=O)N[C@H](C(=O)O)[C@@H](C)O)CC(C)C)[C@@H](C)O)[C@@H](C)O)C(C)C | nan | ||||
CHEMBL3102926 | 217813 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | None | None | None | C=CCCC[C@](C)(NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@](C)(CCCC=C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)CC)C(C)C | 10.1021/ml400257h | ||||
CHEMBL4283432 | 220219 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)NC(CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCNC(=N)N)CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCCN)CC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCCC(=O)N[C@H](C(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(C)C | nan | ||||
CHEMBL3102927 | 217814 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | C=CCCC[C@](C)(NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@](C)(CCCC=C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)CC)C(C)C | 10.1021/ml400257h | ||||
CHEMBL3105019 | 217849 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@]1(C)CCCC/C=C\CCCC[C@@](C)(C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)CC)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(C)C | 10.1021/ml400257h | ||||
CHEMBL4294843 | 220312 | 0 | None | -11 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)NC(CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCCC(=O)N[C@H](C(=O)O)[C@@H](C)O)CC(C)C)[C@@H](C)O)[C@@H](C)O)C(C)C | nan | ||||
CHEMBL4281814 | 220203 | 0 | None | -58 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)CC(CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CC(NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)CC(CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CC(NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CC(NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@@H](N)Cc1cnc[nH]1)C(C)C)[C@@H](C)O)C(C)O)C(C)C)C(=O)NC(CC(=O)N[C@@H](CC(N)=O)C(=O)O)CC(C)C | nan | ||||
CHEMBL4284858 | 220228 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(C)(C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCCN)CC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCCC(=O)N[C@H](C(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(C)C | nan | ||||
CHEMBL4287451 | 220248 | 0 | None | 426 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)NC(CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)NC(CCC(N)=O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCCN)CC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCCC(=O)N[C@H](C(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(C)C | nan | ||||
CHEMBL3102928 | 217815 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | C=CCCC[C@](C)(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(C)C)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@](C)(CCCC=C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)CC | 10.1021/ml400257h | ||||
CHEMBL4280273 | 220184 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)CC(CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CC(NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)CC(CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CC(NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(C)C)[C@@H](C)O)C(C)O)C(C)C)C(=O)NC(CC(=O)N[C@@H](CC(N)=O)C(=O)O)CC(C)C | nan | ||||
CHEMBL4277709 | 220156 | 0 | None | -870 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)CC(CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CC(NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)CC(CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CC(NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@@H](N)Cc1cnc[nH]1)C(C)C)[C@@H](C)O)C(C)O)C(C)C)C(=O)NC(CC(=O)N[C@@H](CC(N)=O)C(=O)O)CC(C)C | nan | ||||
CHEMBL4278228 | 220167 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCCN)CC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCCC(=O)N[C@H](C(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O | nan | ||||
CHEMBL4281905 | 220205 | 0 | None | 1 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)CC(CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CC(NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)CC(CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CC(NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CC(NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(C)C)[C@@H](C)O)C(C)O)C(C)C)C(=O)NC(CC(=O)N[C@@H](CC(N)=O)C(=O)O)CC(C)C | nan | ||||
CHEMBL4285866 | 220237 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)CC(CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CC(NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)CC(CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CC(NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CC(CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CC(NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)CC(CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(C)C)[C@@H](C)O)C(C)O)C(C)C)C(=O)NC(CC(=O)N[C@@H](CC(N)=O)C(=O)O)CC(C)C | nan | ||||
CHEMBL3102920 | 217807 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | None | 10.1021/ml400257h | ||||
CHEMBL4277783 | 220158 | 0 | None | 1 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)CC(CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CC(NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)CC(CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CC(NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CC(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CC(CC(=O)O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(C)C)C(C)O)C(C)O)C(C)C)C(=O)NC(CC(=O)N[C@@H](CC(N)=O)C(=O)O)CC(C)C | nan | ||||
CHEMBL4284839 | 220227 | 0 | None | -11 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)CC(CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CC(NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)CC(CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CC(NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CC(NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)CC(CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(C)C)[C@@H](C)O)C(C)O)C(C)C)C(=O)NC(CC(=O)N[C@@H](CC(N)=O)C(=O)O)CC(C)C | nan | ||||
CHEMBL4280734 | 220188 | 0 | None | -223 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)CC(CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CC(NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)CC(CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CC(NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)C(C)O)C(C)C)C(=O)NC(CC(=O)N[C@@H](CC(N)=O)C(=O)O)CC(C)C | nan | ||||
CHEMBL4284961 | 220230 | 0 | None | 9 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H]1CNC[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)CC(Cc1ccc(O)cc1)NC(=O)CC(CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(=O)NC(CCCCN)CC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCCC(=O)N[C@H](C(=O)O)[C@@H](C)O | nan | ||||
CHEMBL4278811 | 220171 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)CC(CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CC(NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)CC(CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CC(NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CC(CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CC(NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(C)C)[C@@H](C)O)C(C)O)C(C)C)C(=O)NC(CC(=O)N[C@@H](CC(N)=O)C(=O)O)CC(C)C | nan | ||||
11570626 | 9328 | 46 | None | -794 | 9 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 587 | 9 | 2 | 5 | 7.5 | COc1ccc2c(c1)ccc(c2)c1cc(nn1[C@H](c1ccc(cc1)C(=O)NCCC(=O)O)C)c1cc(Cl)cc(c1)Cl | 10.1021/jm300579z | ||
9135 | 9328 | 46 | None | -794 | 9 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 587 | 9 | 2 | 5 | 7.5 | COc1ccc2c(c1)ccc(c2)c1cc(nn1[C@H](c1ccc(cc1)C(=O)NCCC(=O)O)C)c1cc(Cl)cc(c1)Cl | 10.1021/jm300579z | ||
CHEMBL1933349 | 9328 | 46 | None | -794 | 9 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 587 | 9 | 2 | 5 | 7.5 | COc1ccc2c(c1)ccc(c2)c1cc(nn1[C@H](c1ccc(cc1)C(=O)NCCC(=O)O)C)c1cc(Cl)cc(c1)Cl | 10.1021/jm300579z | ||
DB12044 | 9328 | 46 | None | -794 | 9 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 587 | 9 | 2 | 5 | 7.5 | COc1ccc2c(c1)ccc(c2)c1cc(nn1[C@H](c1ccc(cc1)C(=O)NCCC(=O)O)C)c1cc(Cl)cc(c1)Cl | 10.1021/jm300579z | ||
60170971 | 88176 | 0 | None | -186 | 3 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 587 | 9 | 2 | 5 | 7.5 | COc1ccc2cc(-c3cc(-c4ccc(Cl)c(Cl)c4)nn3[C@@H](C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1021/jm300579z | ||
CHEMBL2159348 | 88176 | 0 | None | -186 | 3 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 587 | 9 | 2 | 5 | 7.5 | COc1ccc2cc(-c3cc(-c4ccc(Cl)c(Cl)c4)nn3[C@@H](C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1021/jm300579z | ||
60170970 | 88175 | 0 | None | -281 | 4 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 587 | 9 | 2 | 5 | 7.5 | COc1ccc2cc(-c3cc(-c4cc(Cl)ccc4Cl)nn3[C@@H](C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1021/jm300579z | ||
CHEMBL2159347 | 88175 | 0 | None | -281 | 4 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 587 | 9 | 2 | 5 | 7.5 | COc1ccc2cc(-c3cc(-c4cc(Cl)ccc4Cl)nn3[C@@H](C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1021/jm300579z | ||
60171059 | 88177 | 0 | None | -794 | 4 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 621 | 9 | 2 | 5 | 7.9 | COc1ccc2cc(-c3cc(-c4cc(Cl)cc(C(F)(F)F)c4)nn3[C@@H](C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1021/jm300579z | ||
CHEMBL2159349 | 88177 | 0 | None | -794 | 4 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 621 | 9 | 2 | 5 | 7.9 | COc1ccc2cc(-c3cc(-c4cc(Cl)cc(C(F)(F)F)c4)nn3[C@@H](C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1021/jm300579z | ||
90154832 | 159898 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 539 | 11 | 4 | 7 | 2.3 | O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 | nan | ||
CHEMBL3976408 | 159898 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 539 | 11 | 4 | 7 | 2.3 | O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 | nan | ||
168298339 | 199488 | 0 | None | -1 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 4137 | 147 | 67 | 59 | -16.2 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](CCS)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)O)C(C)C)C(C)C | 10.1021/acs.jmedchem.0c01396 | ||
CHEMBL5219662 | 199488 | 0 | None | -1 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 4137 | 147 | 67 | 59 | -16.2 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](CCS)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)O)C(C)C)C(C)C | 10.1021/acs.jmedchem.0c01396 | ||
1152 | 10767 | 16 | None | -3 | 8 | Human | 7.3 | pEC50 | = | 7.3 | Functional | Guide to Pharmacology | None | None | None | None | 16930633 | ||||
16129679 | 10767 | 16 | None | -3 | 8 | Human | 7.3 | pEC50 | = | 7.3 | Functional | Guide to Pharmacology | None | None | None | None | 16930633 | ||||
53395115 | 10767 | 16 | None | -3 | 8 | Human | 7.3 | pEC50 | = | 7.3 | Functional | Guide to Pharmacology | None | None | None | None | 16930633 | ||||
91898389 | 10767 | 16 | None | -3 | 8 | Human | 7.3 | pEC50 | = | 7.3 | Functional | Guide to Pharmacology | None | None | None | None | 16930633 | ||||
CHEMBL1981592 | 10767 | 16 | None | -3 | 8 | Human | 7.3 | pEC50 | = | 7.3 | Functional | Guide to Pharmacology | None | None | None | None | 16930633 | ||||
16133238 | 9764 | 0 | None | -85 | 6 | Human | 7.6 | pEC50 | = | 7.6 | Functional | Guide to Pharmacology | None | None | None | None | 16930633 | ||||
2257 | 9764 | 0 | None | -85 | 6 | Human | 7.6 | pEC50 | = | 7.6 | Functional | Guide to Pharmacology | None | None | None | None | 16930633 | ||||
44134520 | 9764 | 0 | None | -85 | 6 | Human | 7.6 | pEC50 | = | 7.6 | Functional | Guide to Pharmacology | None | None | None | None | 16930633 | ||||
2258 | 9765 | 0 | None | -17 | 4 | Human | 7.7 | pEC50 | = | 7.7 | Functional | Guide to Pharmacology | None | None | None | None | 16930633 | ||||
1152 | 10767 | 16 | None | -3 | 8 | Human | 7.8 | pEC50 | = | 7.8 | Functional | Guide to Pharmacology | None | None | None | None | 10570056 | ||||
16129679 | 10767 | 16 | None | -3 | 8 | Human | 7.8 | pEC50 | = | 7.8 | Functional | Guide to Pharmacology | None | None | None | None | 10570056 | ||||
53395115 | 10767 | 16 | None | -3 | 8 | Human | 7.8 | pEC50 | = | 7.8 | Functional | Guide to Pharmacology | None | None | None | None | 10570056 | ||||
91898389 | 10767 | 16 | None | -3 | 8 | Human | 7.8 | pEC50 | = | 7.8 | Functional | Guide to Pharmacology | None | None | None | None | 10570056 | ||||
CHEMBL1981592 | 10767 | 16 | None | -3 | 8 | Human | 7.8 | pEC50 | = | 7.8 | Functional | Guide to Pharmacology | None | None | None | None | 10570056 | ||||
2272 | 9852 | 0 | None | 14 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Guide to Pharmacology | None | None | None | None | 16930633 | ||||
2259 | 10119 | 0 | None | 190 | 4 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Guide to Pharmacology | None | None | None | None | 10570056 | ||||
1152 | 10767 | 16 | None | -3 | 8 | Human | 9.2 | pEC50 | = | 9.2 | Functional | Guide to Pharmacology | None | None | None | None | 16930633 | ||||
16129679 | 10767 | 16 | None | -3 | 8 | Human | 9.2 | pEC50 | = | 9.2 | Functional | Guide to Pharmacology | None | None | None | None | 16930633 | ||||
53395115 | 10767 | 16 | None | -3 | 8 | Human | 9.2 | pEC50 | = | 9.2 | Functional | Guide to Pharmacology | None | None | None | None | 16930633 | ||||
91898389 | 10767 | 16 | None | -3 | 8 | Human | 9.2 | pEC50 | = | 9.2 | Functional | Guide to Pharmacology | None | None | None | None | 16930633 | ||||
CHEMBL1981592 | 10767 | 16 | None | -3 | 8 | Human | 9.2 | pEC50 | = | 9.2 | Functional | Guide to Pharmacology | None | None | None | None | 16930633 | ||||
2258 | 9765 | 0 | None | -17 | 4 | Human | 9.3 | pEC50 | = | 9.3 | Functional | Guide to Pharmacology | None | None | None | None | 16930633 | ||||
129887154 | 7370 | 0 | None | 177 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | Guide to Pharmacology | None | None | None | None | 11978642 | ||||
155817438 | 7370 | 0 | None | 177 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | Guide to Pharmacology | None | None | None | None | 11978642 | ||||
16214732 | 7370 | 0 | None | 177 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | Guide to Pharmacology | None | None | None | None | 11978642 | ||||
2269 | 7370 | 0 | None | 177 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | Guide to Pharmacology | None | None | None | None | 11978642 | ||||
2281 | 7370 | 0 | None | 177 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | Guide to Pharmacology | None | None | None | None | 11978642 | ||||
16133238 | 9764 | 0 | None | -85 | 6 | Human | 9.4 | pEC50 | = | 9.4 | Functional | Guide to Pharmacology | None | None | None | None | 16930633 | ||||
2257 | 9764 | 0 | None | -85 | 6 | Human | 9.4 | pEC50 | = | 9.4 | Functional | Guide to Pharmacology | None | None | None | None | 16930633 | ||||
44134520 | 9764 | 0 | None | -85 | 6 | Human | 9.4 | pEC50 | = | 9.4 | Functional | Guide to Pharmacology | None | None | None | None | 16930633 | ||||
2272 | 9852 | 0 | None | 14 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | Guide to Pharmacology | None | None | None | None | 16930633 | ||||
2278 | 7116 | 0 | None | -4168 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | Guide to Pharmacology | None | None | None | None | 10801840 | ||||
1152 | 10767 | 16 | None | -3 | 8 | Human | 7.9 | pEC50 | = | 7.9 | Functional | Guide to Pharmacology | None | None | None | None | 9152366 | ||||
16129679 | 10767 | 16 | None | -3 | 8 | Human | 7.9 | pEC50 | = | 7.9 | Functional | Guide to Pharmacology | None | None | None | None | 9152366 | ||||
53395115 | 10767 | 16 | None | -3 | 8 | Human | 7.9 | pEC50 | = | 7.9 | Functional | Guide to Pharmacology | None | None | None | None | 9152366 | ||||
91898389 | 10767 | 16 | None | -3 | 8 | Human | 7.9 | pEC50 | = | 7.9 | Functional | Guide to Pharmacology | None | None | None | None | 9152366 | ||||
CHEMBL1981592 | 10767 | 16 | None | -3 | 8 | Human | 7.9 | pEC50 | = | 7.9 | Functional | Guide to Pharmacology | None | None | None | None | 9152366 | ||||
16133238 | 9764 | 0 | None | -85 | 6 | Human | 8.4 | pEC50 | = | 8.4 | Functional | Guide to Pharmacology | None | None | None | None | 11931347 | ||||
2257 | 9764 | 0 | None | -85 | 6 | Human | 8.4 | pEC50 | = | 8.4 | Functional | Guide to Pharmacology | None | None | None | None | 11931347 | ||||
44134520 | 9764 | 0 | None | -85 | 6 | Human | 8.4 | pEC50 | = | 8.4 | Functional | Guide to Pharmacology | None | None | None | None | 11931347 | ||||
2276 | 10118 | 0 | None | 316 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | Guide to Pharmacology | None | None | None | None | 9152366 | ||||
1152 | 10767 | 16 | None | -3 | 8 | Human | 8.5 | pEC50 | = | 8.5 | Functional | Guide to Pharmacology | None | None | None | None | 11931347 | ||||
16129679 | 10767 | 16 | None | -3 | 8 | Human | 8.5 | pEC50 | = | 8.5 | Functional | Guide to Pharmacology | None | None | None | None | 11931347 | ||||
53395115 | 10767 | 16 | None | -3 | 8 | Human | 8.5 | pEC50 | = | 8.5 | Functional | Guide to Pharmacology | None | None | None | None | 11931347 | ||||
91898389 | 10767 | 16 | None | -3 | 8 | Human | 8.5 | pEC50 | = | 8.5 | Functional | Guide to Pharmacology | None | None | None | None | 11931347 | ||||
CHEMBL1981592 | 10767 | 16 | None | -3 | 8 | Human | 8.5 | pEC50 | = | 8.5 | Functional | Guide to Pharmacology | None | None | None | None | 11931347 | ||||
2259 | 10119 | 0 | None | 190 | 4 | Human | 8.7 | pEC50 | = | 8.7 | Functional | Guide to Pharmacology | None | None | None | None | 11931347 | ||||
1152 | 10767 | 16 | None | -3 | 8 | Human | 9.3 | pEC50 | = | 9.3 | Functional | Guide to Pharmacology | None | None | None | None | 10801840 | ||||
16129679 | 10767 | 16 | None | -3 | 8 | Human | 9.3 | pEC50 | = | 9.3 | Functional | Guide to Pharmacology | None | None | None | None | 10801840 | ||||
53395115 | 10767 | 16 | None | -3 | 8 | Human | 9.3 | pEC50 | = | 9.3 | Functional | Guide to Pharmacology | None | None | None | None | 10801840 | ||||
91898389 | 10767 | 16 | None | -3 | 8 | Human | 9.3 | pEC50 | = | 9.3 | Functional | Guide to Pharmacology | None | None | None | None | 10801840 | ||||
CHEMBL1981592 | 10767 | 16 | None | -3 | 8 | Human | 9.3 | pEC50 | = | 9.3 | Functional | Guide to Pharmacology | None | None | None | None | 10801840 | ||||
2278 | 7116 | 0 | None | -4168 | 3 | Human | 5.0 | pEC50 | > | 5 | Functional | Guide to Pharmacology | None | None | None | None | 16930633 | ||||
2278 | 7116 | 0 | None | -4168 | 3 | Human | 5.0 | pEC50 | > | 5 | Functional | Guide to Pharmacology | None | None | None | None | 16930633 | ||||
3842 | 9214 | 0 | None | -1584 | 5 | Human | 6.0 | pEC50 | > | 6 | Functional | Guide to Pharmacology | None | None | None | None | 11931347 | ||||
2272 | 9852 | 0 | None | 14 | 3 | Human | 7.6 | pIC50 | = | 7.6 | Functional | Guide to Pharmacology | None | None | None | None | 16930633 |
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 |
CHEMBL524852 | 222400 | 6 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)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](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(N)=O)C(C)C)C(C)C)[C@@H](C)O | 10.1016/j.ejmech.2015.09.017 | |||||
118334911 | 151094 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 534 | 10 | 4 | 5 | 2.8 | O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CNS(=O)(=O)c1ccc2c(c1)CCC2 | nan | |||
CHEMBL3905363 | 151094 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 534 | 10 | 4 | 5 | 2.8 | O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CNS(=O)(=O)c1ccc2c(c1)CCC2 | nan | |||
73890927 | 155674 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 524 | 11 | 4 | 6 | 2.4 | COc1ccc(S(=O)(=O)NC[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1 | nan | |||
CHEMBL3941654 | 155674 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 524 | 11 | 4 | 6 | 2.4 | COc1ccc(S(=O)(=O)NC[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1 | nan | |||
118334840 | 155309 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 522 | 11 | 4 | 5 | 2.9 | CCc1ccc(S(=O)(=O)NC[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1 | nan | |||
CHEMBL3938565 | 155309 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 522 | 11 | 4 | 5 | 2.9 | CCc1ccc(S(=O)(=O)NC[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1 | nan | |||
118334843 | 156031 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 508 | 10 | 4 | 5 | 2.7 | Cc1ccc(S(=O)(=O)NC[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1 | nan | |||
CHEMBL3944350 | 156031 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 508 | 10 | 4 | 5 | 2.7 | Cc1ccc(S(=O)(=O)NC[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1 | nan | |||
2263 | 7045 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0609059 | |||||
44566111 | 7045 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0609059 | |||||
CHEMBL219499 | 7045 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0609059 | |||||
90154832 | 159898 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 539 | 11 | 4 | 7 | 2.3 | O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 | nan | |||
CHEMBL3976408 | 159898 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 539 | 11 | 4 | 7 | 2.3 | O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 | nan | |||
118334841 | 160300 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 519 | 10 | 4 | 6 | 2.2 | N#Cc1ccc(S(=O)(=O)NC[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1 | nan | |||
CHEMBL3979900 | 160300 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 519 | 10 | 4 | 6 | 2.2 | N#Cc1ccc(S(=O)(=O)NC[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1 | nan | |||
118334918 | 155631 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 522 | 10 | 4 | 5 | 3.0 | Cc1ccc(S(=O)(=O)NC[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1C | nan | |||
CHEMBL3941270 | 155631 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 522 | 10 | 4 | 5 | 3.0 | Cc1ccc(S(=O)(=O)NC[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1C | nan | |||
118334912 | 161101 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 572 | 11 | 4 | 7 | 1.8 | CS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1 | nan | |||
CHEMBL3986723 | 161101 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 572 | 11 | 4 | 7 | 1.8 | CS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1 | nan | |||
118334831 | 153894 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 552 | 10 | 4 | 7 | 2.1 | O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CNS(=O)(=O)c1ccc2c(c1)OCCO2 | nan | |||
CHEMBL3927475 | 153894 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 552 | 10 | 4 | 7 | 2.1 | O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CNS(=O)(=O)c1ccc2c(c1)OCCO2 | nan | |||
CHEMBL507480 | 221114 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)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](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(N)=O)C(C)C)C(C)C)[C@@H](C)O | 10.1016/j.ejmech.2015.09.017 | |||||
90154832 | 159898 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 539 | 11 | 4 | 7 | 2.3 | O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 | nan | |||
CHEMBL3976408 | 159898 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 539 | 11 | 4 | 7 | 2.3 | O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 | nan | |||
118334842 | 160631 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 562 | 10 | 4 | 5 | 3.4 | O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1 | nan | |||
CHEMBL3982797 | 160631 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 562 | 10 | 4 | 5 | 3.4 | O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1 | nan | |||
CHEMBL440082 | 220639 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(C)C)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)O | 10.1021/jm0609059 | |||||
118334830 | 161024 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 528 | 10 | 4 | 5 | 3.0 | O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CNS(=O)(=O)c1ccc(Cl)cc1 | nan | |||
CHEMBL3986225 | 161024 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 528 | 10 | 4 | 5 | 3.0 | O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CNS(=O)(=O)c1ccc(Cl)cc1 | nan | |||
118334834 | 159090 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 536 | 11 | 4 | 5 | 3.5 | CC(C)c1ccc(S(=O)(=O)NC[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1 | nan | |||
CHEMBL3969613 | 159090 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 536 | 11 | 4 | 5 | 3.5 | CC(C)c1ccc(S(=O)(=O)NC[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1 | nan | |||
127035881 | 143263 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 3264 | 105 | 48 | 45 | -10.6 | CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(C#Cc2ccc(F)cc2)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)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](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(N)=O)C(C)C)C(C)C)[C@@H](C)O | 10.1016/j.ejmech.2015.09.017 | |||
CHEMBL3736134 | 143263 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 3264 | 105 | 48 | 45 | -10.6 | CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(C#Cc2ccc(F)cc2)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)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](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(N)=O)C(C)C)C(C)C)[C@@H](C)O | 10.1016/j.ejmech.2015.09.017 | |||
127035881 | 143263 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 3264 | 105 | 48 | 45 | -10.6 | CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(C#Cc2ccc(F)cc2)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)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](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(N)=O)C(C)C)C(C)C)[C@@H](C)O | 10.1016/j.ejmech.2015.09.017 | |||
CHEMBL3736134 | 143263 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 3264 | 105 | 48 | 45 | -10.6 | CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(C#Cc2ccc(F)cc2)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)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](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(N)=O)C(C)C)C(C)C)[C@@H](C)O | 10.1016/j.ejmech.2015.09.017 | |||
90154607 | 160583 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 538 | 10 | 4 | 7 | 2.1 | O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CNS(=O)(=O)c1ccc2c(c1)OCO2 | nan | |||
CHEMBL3982346 | 160583 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 538 | 10 | 4 | 7 | 2.1 | O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CNS(=O)(=O)c1ccc2c(c1)OCO2 | nan | |||
118334924 | 153915 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 542 | 11 | 3 | 5 | 3.7 | CO[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@H](Cc1ccccc1)C[C@H](O)CNS(=O)(=O)c1ccc(Cl)cc1 | nan | |||
CHEMBL3927669 | 153915 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 542 | 11 | 3 | 5 | 3.7 | CO[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@H](Cc1ccccc1)C[C@H](O)CNS(=O)(=O)c1ccc(Cl)cc1 | nan | |||
118334910 | 151426 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 538 | 11 | 5 | 6 | 2.4 | CC(O)c1ccc(S(=O)(=O)NC[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1 | nan | |||
CHEMBL3908152 | 151426 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 538 | 11 | 5 | 6 | 2.4 | CC(O)c1ccc(S(=O)(=O)NC[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1 | nan | |||
118334914 | 158138 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 536 | 12 | 4 | 5 | 3.3 | CCCc1ccc(S(=O)(=O)NC[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1 | nan | |||
CHEMBL3961248 | 158138 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 536 | 12 | 4 | 5 | 3.3 | CCCc1ccc(S(=O)(=O)NC[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1 | nan | |||
118334919 | 160314 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 552 | 13 | 4 | 6 | 3.1 | CCCOc1ccc(S(=O)(=O)NC[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1 | nan | |||
CHEMBL3980013 | 160314 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 552 | 13 | 4 | 6 | 3.1 | CCCOc1ccc(S(=O)(=O)NC[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1 | nan | |||
73890939 | 159610 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 536 | 11 | 4 | 6 | 2.6 | CC(=O)c1ccc(S(=O)(=O)NC[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1 | nan | |||
CHEMBL3973956 | 159610 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 536 | 11 | 4 | 6 | 2.6 | CC(=O)c1ccc(S(=O)(=O)NC[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1 | nan | |||
118334917 | 157982 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 566 | 13 | 4 | 6 | 3.5 | CCC(C)Oc1ccc(S(=O)(=O)NC[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1 | nan | |||
CHEMBL3959870 | 157982 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 566 | 13 | 4 | 6 | 3.5 | CCC(C)Oc1ccc(S(=O)(=O)NC[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1 | nan | |||
118334925 | 149167 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 550 | 12 | 3 | 6 | 3.2 | CO[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@H](Cc1ccccc1)C[C@H](O)CNS(=O)(=O)c1ccc(C(C)=O)cc1 | nan | |||
CHEMBL3889643 | 149167 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 550 | 12 | 3 | 6 | 3.2 | CO[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@H](Cc1ccccc1)C[C@H](O)CNS(=O)(=O)c1ccc(C(C)=O)cc1 | nan | |||
127034614 | 143281 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 3246 | 105 | 48 | 45 | -10.8 | CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(C#Cc2ccccc2)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)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](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(N)=O)C(C)C)C(C)C)[C@@H](C)O | 10.1016/j.ejmech.2015.09.017 | |||
CHEMBL3736230 | 143281 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 3246 | 105 | 48 | 45 | -10.8 | CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(C#Cc2ccccc2)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)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](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(N)=O)C(C)C)C(C)C)[C@@H](C)O | 10.1016/j.ejmech.2015.09.017 | |||
127034614 | 143281 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 3246 | 105 | 48 | 45 | -10.8 | CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(C#Cc2ccccc2)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)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](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(N)=O)C(C)C)C(C)C)[C@@H](C)O | 10.1016/j.ejmech.2015.09.017 | |||
CHEMBL3736230 | 143281 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 3246 | 105 | 48 | 45 | -10.8 | CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(C#Cc2ccccc2)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)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](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(N)=O)C(C)C)C(C)C)[C@@H](C)O | 10.1016/j.ejmech.2015.09.017 | |||
118334931 | 149220 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 566 | 11 | 3 | 7 | 2.8 | CO[C@H]1Cc2ccccc2[C@@H]1NC(=O)[C@H](Cc1ccccc1)C[C@H](O)CNS(=O)(=O)c1ccc2c(c1)OCCO2 | nan | |||
CHEMBL3890096 | 149220 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 566 | 11 | 3 | 7 | 2.8 | CO[C@H]1Cc2ccccc2[C@@H]1NC(=O)[C@H](Cc1ccccc1)C[C@H](O)CNS(=O)(=O)c1ccc2c(c1)OCCO2 | nan | |||
118334909 | 156191 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 512 | 10 | 4 | 5 | 2.5 | O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CNS(=O)(=O)c1ccc(F)cc1 | nan | |||
CHEMBL3945729 | 156191 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 512 | 10 | 4 | 5 | 2.5 | O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CNS(=O)(=O)c1ccc(F)cc1 | nan | |||
3842 | 9214 | 0 | None | - | 0 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | Guide to Pharmacology | None | None | None | None | 9437714 | |||||
1155 | 10345 | 0 | None | - | 2 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | Guide to Pharmacology | None | None | None | None | 9437714 | |||||
16129665 | 10345 | 0 | None | - | 2 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | Guide to Pharmacology | None | None | None | None | 9437714 | |||||
3643 | 10345 | 0 | None | - | 2 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | Guide to Pharmacology | None | None | None | None | 9437714 | |||||
CHEMBL1201488 | 10345 | 0 | None | - | 2 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | Guide to Pharmacology | None | None | None | None | 9437714 | |||||
DB00021 | 10345 | 0 | None | - | 2 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | Guide to Pharmacology | None | None | None | None | 9437714 | |||||
3293 | 7256 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5 | Binding | Guide to Pharmacology | None | None | None | None | 9437714 | |||||
3293 | 7256 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | Guide to Pharmacology | None | None | None | None | 9437714 | |||||
1155 | 10345 | 0 | None | - | 2 | Human | 5.3 | pIC50 | = | 5.3 | Binding | Guide to Pharmacology | None | None | None | None | 9437714 | |||||
16129665 | 10345 | 0 | None | - | 2 | Human | 5.3 | pIC50 | = | 5.3 | Binding | Guide to Pharmacology | None | None | None | None | 9437714 | |||||
3643 | 10345 | 0 | None | - | 2 | Human | 5.3 | pIC50 | = | 5.3 | Binding | Guide to Pharmacology | None | None | None | None | 9437714 | |||||
CHEMBL1201488 | 10345 | 0 | None | - | 2 | Human | 5.3 | pIC50 | = | 5.3 | Binding | Guide to Pharmacology | None | None | None | None | 9437714 | |||||
DB00021 | 10345 | 0 | None | - | 2 | Human | 5.3 | pIC50 | = | 5.3 | Binding | Guide to Pharmacology | None | None | None | None | 9437714 | |||||
1152 | 10767 | 16 | None | -5 | 4 | Human | 8.3 | pIC50 | = | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 9437714 | |||||
16129679 | 10767 | 16 | None | -5 | 4 | Human | 8.3 | pIC50 | = | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 9437714 | |||||
53395115 | 10767 | 16 | None | -5 | 4 | Human | 8.3 | pIC50 | = | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 9437714 | |||||
91898389 | 10767 | 16 | None | -5 | 4 | Human | 8.3 | pIC50 | = | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 9437714 | |||||
CHEMBL1981592 | 10767 | 16 | None | -5 | 4 | Human | 8.3 | pIC50 | = | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 9437714 | |||||
1152 | 10767 | 16 | None | - | 4 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 9437714 | |||||
16129679 | 10767 | 16 | None | - | 4 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 9437714 | |||||
53395115 | 10767 | 16 | None | - | 4 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 9437714 | |||||
91898389 | 10767 | 16 | None | - | 4 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 9437714 | |||||
CHEMBL1981592 | 10767 | 16 | None | - | 4 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 9437714 | |||||
129887154 | 7370 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Binding | Guide to Pharmacology | None | None | None | None | 11978642 | |||||
155817438 | 7370 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Binding | Guide to Pharmacology | None | None | None | None | 11978642 | |||||
16214732 | 7370 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Binding | Guide to Pharmacology | None | None | None | None | 11978642 | |||||
2269 | 7370 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Binding | Guide to Pharmacology | None | None | None | None | 11978642 | |||||
2281 | 7370 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Binding | Guide to Pharmacology | None | None | None | None | 11978642 | |||||
16133238 | 9764 | 0 | None | - | 3 | Human | 7.7 | pIC50 | = | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 11978642 | |||||
2257 | 9764 | 0 | None | - | 3 | Human | 7.7 | pIC50 | = | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 11978642 | |||||
44134520 | 9764 | 0 | None | - | 3 | Human | 7.7 | pIC50 | = | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 11978642 | |||||
131850923 | 9851 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | Guide to Pharmacology | None | None | None | None | 9437716 | |||||
155817437 | 9851 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | Guide to Pharmacology | None | None | None | None | 9437716 | |||||
16154651 | 9851 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | Guide to Pharmacology | None | None | None | None | 9437716 | |||||
2268 | 9851 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | Guide to Pharmacology | None | None | None | None | 9437716 | |||||
131850923 | 9851 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | Guide to Pharmacology | None | None | None | None | 9437716 | |||||
155817437 | 9851 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | Guide to Pharmacology | None | None | None | None | 9437716 | |||||
16154651 | 9851 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | Guide to Pharmacology | None | None | None | None | 9437716 | |||||
2268 | 9851 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | Guide to Pharmacology | None | None | None | None | 9437716 | |||||
2266 | 9669 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | Guide to Pharmacology | None | None | None | None | 11931347 | |||||
16133238 | 9764 | 0 | None | - | 3 | Human | 7.6 | pIC50 | = | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 11931347 | |||||
2257 | 9764 | 0 | None | - | 3 | Human | 7.6 | pIC50 | = | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 11931347 | |||||
44134520 | 9764 | 0 | None | - | 3 | Human | 7.6 | pIC50 | = | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 11931347 | |||||
1152 | 10767 | 16 | None | -5 | 4 | Human | 7.7 | pIC50 | = | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 11931347 | |||||
16129679 | 10767 | 16 | None | -5 | 4 | Human | 7.7 | pIC50 | = | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 11931347 | |||||
53395115 | 10767 | 16 | None | -5 | 4 | Human | 7.7 | pIC50 | = | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 11931347 | |||||
91898389 | 10767 | 16 | None | -5 | 4 | Human | 7.7 | pIC50 | = | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 11931347 | |||||
CHEMBL1981592 | 10767 | 16 | None | -5 | 4 | Human | 7.7 | pIC50 | = | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 11931347 | |||||
2259 | 10119 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 10570056 | |||||
2259 | 10119 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 11931347 | |||||
2259 | 10119 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 9145428 | |||||
1155 | 10345 | 0 | None | - | 2 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | Guide to Pharmacology | None | None | None | None | 9928018 | |||||
16129665 | 10345 | 0 | None | - | 2 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | Guide to Pharmacology | None | None | None | None | 9928018 | |||||
3643 | 10345 | 0 | None | - | 2 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | Guide to Pharmacology | None | None | None | None | 9928018 | |||||
CHEMBL1201488 | 10345 | 0 | None | - | 2 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | Guide to Pharmacology | None | None | None | None | 9928018 | |||||
DB00021 | 10345 | 0 | None | - | 2 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | Guide to Pharmacology | None | None | None | None | 9928018 | |||||
1155 | 10345 | 0 | None | - | 2 | Human | 5.3 | pIC50 | = | 5.3 | Binding | Guide to Pharmacology | None | None | None | None | 9928018 | |||||
16129665 | 10345 | 0 | None | - | 2 | Human | 5.3 | pIC50 | = | 5.3 | Binding | Guide to Pharmacology | None | None | None | None | 9928018 | |||||
3643 | 10345 | 0 | None | - | 2 | Human | 5.3 | pIC50 | = | 5.3 | Binding | Guide to Pharmacology | None | None | None | None | 9928018 | |||||
CHEMBL1201488 | 10345 | 0 | None | - | 2 | Human | 5.3 | pIC50 | = | 5.3 | Binding | Guide to Pharmacology | None | None | None | None | 9928018 | |||||
DB00021 | 10345 | 0 | None | - | 2 | Human | 5.3 | pIC50 | = | 5.3 | Binding | Guide to Pharmacology | None | None | None | None | 9928018 | |||||
131850923 | 9851 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | Guide to Pharmacology | None | None | None | None | 10570056 | |||||
155817437 | 9851 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | Guide to Pharmacology | None | None | None | None | 10570056 | |||||
16154651 | 9851 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | Guide to Pharmacology | None | None | None | None | 10570056 | |||||
2268 | 9851 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | Guide to Pharmacology | None | None | None | None | 10570056 | |||||
2273 | 9883 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | Guide to Pharmacology | None | None | None | None | 9928018 | |||||
2273 | 9883 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | Guide to Pharmacology | None | None | None | None | 9928018 | |||||
16133238 | 9764 | 0 | None | - | 3 | Human | 8.0 | pIC50 | = | 8 | Binding | Guide to Pharmacology | None | None | None | None | 9928018 | |||||
16133238 | 9764 | 0 | None | - | 3 | Rat | 8.0 | pIC50 | = | 8 | Binding | Guide to Pharmacology | None | None | None | None | 9928018 | |||||
2257 | 9764 | 0 | None | - | 3 | Human | 8.0 | pIC50 | = | 8 | Binding | Guide to Pharmacology | None | None | None | None | 9928018 | |||||
2257 | 9764 | 0 | None | - | 3 | Rat | 8.0 | pIC50 | = | 8 | Binding | Guide to Pharmacology | None | None | None | None | 9928018 | |||||
44134520 | 9764 | 0 | None | - | 3 | Human | 8.0 | pIC50 | = | 8 | Binding | Guide to Pharmacology | None | None | None | None | 9928018 | |||||
44134520 | 9764 | 0 | None | - | 3 | Rat | 8.0 | pIC50 | = | 8 | Binding | Guide to Pharmacology | None | None | None | None | 9928018 | |||||
2275 | 9888 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | Guide to Pharmacology | None | None | None | None | 9928018 | |||||
1152 | 10767 | 16 | None | -5 | 4 | Human | 8.0 | pIC50 | = | 8 | Binding | Guide to Pharmacology | None | None | None | None | 9726637 | |||||
1152 | 10767 | 16 | None | - | 4 | Rat | 8.0 | pIC50 | = | 8 | Binding | Guide to Pharmacology | None | None | None | None | 9726637 | |||||
16129679 | 10767 | 16 | None | -5 | 4 | Human | 8.0 | pIC50 | = | 8 | Binding | Guide to Pharmacology | None | None | None | None | 9726637 | |||||
16129679 | 10767 | 16 | None | - | 4 | Rat | 8.0 | pIC50 | = | 8 | Binding | Guide to Pharmacology | None | None | None | None | 9726637 | |||||
53395115 | 10767 | 16 | None | -5 | 4 | Human | 8.0 | pIC50 | = | 8 | Binding | Guide to Pharmacology | None | None | None | None | 9726637 | |||||
53395115 | 10767 | 16 | None | - | 4 | Rat | 8.0 | pIC50 | = | 8 | Binding | Guide to Pharmacology | None | None | None | None | 9726637 | |||||
91898389 | 10767 | 16 | None | -5 | 4 | Human | 8.0 | pIC50 | = | 8 | Binding | Guide to Pharmacology | None | None | None | None | 9726637 | |||||
91898389 | 10767 | 16 | None | - | 4 | Rat | 8.0 | pIC50 | = | 8 | Binding | Guide to Pharmacology | None | None | None | None | 9726637 | |||||
CHEMBL1981592 | 10767 | 16 | None | -5 | 4 | Human | 8.0 | pIC50 | = | 8 | Binding | Guide to Pharmacology | None | None | None | None | 9726637 | |||||
CHEMBL1981592 | 10767 | 16 | None | - | 4 | Rat | 8.0 | pIC50 | = | 8 | Binding | Guide to Pharmacology | None | None | None | None | 9726637 | |||||
2275 | 9888 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | Guide to Pharmacology | None | None | None | None | 9928018 | |||||
1152 | 10767 | 16 | None | - | 4 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 9928018 | |||||
16129679 | 10767 | 16 | None | - | 4 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 9928018 | |||||
53395115 | 10767 | 16 | None | - | 4 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 9928018 | |||||
91898389 | 10767 | 16 | None | - | 4 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 9928018 | |||||
CHEMBL1981592 | 10767 | 16 | None | - | 4 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 9928018 | |||||
16132369 | 8699 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 9928018 | |||||
16132369 | 8699 | 0 | None | - | 1 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 9928018 | |||||
2280 | 8699 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 9928018 | |||||
2280 | 8699 | 0 | None | - | 1 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 9928018 | |||||
53230038 | 8699 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 9928018 | |||||
53230038 | 8699 | 0 | None | - | 1 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 9928018 | |||||
2271 | 9670 | 0 | None | - | 0 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 9726637 | |||||
1152 | 10767 | 16 | None | -5 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 10570056 | |||||
1152 | 10767 | 16 | None | -5 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 9928018 | |||||
16129679 | 10767 | 16 | None | -5 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 10570056 | |||||
16129679 | 10767 | 16 | None | -5 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 9928018 | |||||
53395115 | 10767 | 16 | None | -5 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 10570056 | |||||
53395115 | 10767 | 16 | None | -5 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 9928018 | |||||
91898389 | 10767 | 16 | None | -5 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 10570056 | |||||
91898389 | 10767 | 16 | None | -5 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 9928018 | |||||
CHEMBL1981592 | 10767 | 16 | None | -5 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 10570056 | |||||
CHEMBL1981592 | 10767 | 16 | None | -5 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 9928018 | |||||
2272 | 9852 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 11068102 | |||||
2271 | 9670 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | Guide to Pharmacology | None | None | None | None | 9726637 | |||||
3842 | 9214 | 0 | None | - | 0 | Human | 4.5 | pIC50 | > | 4.5 | Binding | Guide to Pharmacology | None | None | None | None | 9437714 | |||||
3842 | 9214 | 0 | None | - | 0 | Human | 6.0 | pIC50 | > | 6 | Binding | Guide to Pharmacology | None | None | None | None | 11931347 | |||||
129887154 | 7370 | 0 | None | - | 1 | Human | 9.2 | pKd | = | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 11978642 | |||||
155817438 | 7370 | 0 | None | - | 1 | Human | 9.2 | pKd | = | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 11978642 | |||||
16214732 | 7370 | 0 | None | - | 1 | Human | 9.2 | pKd | = | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 11978642 | |||||
2269 | 7370 | 0 | None | - | 1 | Human | 9.2 | pKd | = | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 11978642 | |||||
2281 | 7370 | 0 | None | - | 1 | Human | 9.2 | pKd | = | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 11978642 | |||||
53314964 | 223100 | 0 | 125I-VIP | -1 | 3 | Rat | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 3325 | 113 | 51 | 48 | -14.6 | CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC4=CNC=N4)N | None | |||
53314964 | 223100 | 0 | 125I-VIP | -5 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 3325 | 113 | 51 | 48 | -14.6 | CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC4=CNC=N4)N | None | |||
53314964 | 223100 | 0 | 125I-VIP | -1 | 3 | Rat | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 3325 | 113 | 51 | 48 | -14.6 | CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC4=CNC=N4)N | None | |||
53314964 | 223100 | 0 | 125I-VIP | -5 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 3325 | 113 | 51 | 48 | -14.6 | CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC4=CNC=N4)N | None | |||
53314964 | 223100 | 0 | 125I-VIP | -5 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 3325 | 113 | 51 | 48 | -14.6 | CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC4=CNC=N4)N | None | |||
1152 | 10767 | 16 | None | -5 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | None | None | None | None | 9152366 | |||||
16129679 | 10767 | 16 | None | -5 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | None | None | None | None | 9152366 | |||||
53395115 | 10767 | 16 | None | -5 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | None | None | None | None | 9152366 | |||||
91898389 | 10767 | 16 | None | -5 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | None | None | None | None | 9152366 | |||||
CHEMBL1981592 | 10767 | 16 | None | -5 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | None | None | None | None | 9152366 | |||||
2276 | 10118 | 0 | None | 316 | 2 | Human | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | None | None | None | None | 9152366 | |||||
2278 | 7116 | 0 | None | -316 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | None | None | None | None | 10801840 | |||||
1152 | 10767 | 16 | None | -5 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 10801840 | |||||
16129679 | 10767 | 16 | None | -5 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 10801840 | |||||
53395115 | 10767 | 16 | None | -5 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 10801840 | |||||
91898389 | 10767 | 16 | None | -5 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 10801840 | |||||
CHEMBL1981592 | 10767 | 16 | None | -5 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 10801840 | |||||
1152 | 10767 | 16 | None | -5 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 9454823 | |||||
16129679 | 10767 | 16 | None | -5 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 9454823 | |||||
53395115 | 10767 | 16 | None | -5 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 9454823 | |||||
91898389 | 10767 | 16 | None | -5 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 9454823 | |||||
CHEMBL1981592 | 10767 | 16 | None | -5 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 9454823 |