Compile Data Set for Download or QSAR
Found 2 Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 4' and Ligand = 'BDBM50220696'
TargetMelanocortin receptor 4(Homo sapiens (Human))
Merck & Co.

Curated by ChEMBL
LigandPNGBDBM50220696((R)-N-((S)-3-(4-chlorophenyl)-1-(4-((1-methyl-1H-t...)
Show SMILES Cn1nnnc1CC1(CC(C)(C)C)CCN(CC1)C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1
Show InChI InChI=1S/C32H42ClN7O2/c1-31(2,3)21-32(19-28-36-37-38-39(28)4)13-15-40(16-14-32)30(42)27(17-22-9-11-25(33)12-10-22)35-29(41)26-18-23-7-5-6-8-24(23)20-34-26/h5-12,26-27,34H,13-21H2,1-4H3,(H,35,41)/t26-,27+/m1/s1
Affinity DataIC50: 3.60nMAssay Description:Binding affinity to human MC4RMore data for this Ligand-Target Pair
TargetMelanocortin receptor 4(Homo sapiens (Human))
Merck & Co.

Curated by ChEMBL
LigandPNGBDBM50220696((R)-N-((S)-3-(4-chlorophenyl)-1-(4-((1-methyl-1H-t...)
Show SMILES Cn1nnnc1CC1(CC(C)(C)C)CCN(CC1)C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1
Show InChI InChI=1S/C32H42ClN7O2/c1-31(2,3)21-32(19-28-36-37-38-39(28)4)13-15-40(16-14-32)30(42)27(17-22-9-11-25(33)12-10-22)35-29(41)26-18-23-7-5-6-8-24(23)20-34-26/h5-12,26-27,34H,13-21H2,1-4H3,(H,35,41)/t26-,27+/m1/s1
Affinity DataEC50:  21nMAssay Description:Antagonist activity at human MC4R assessed as stimulation of cAMP productionMore data for this Ligand-Target Pair