Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Melanocyte-stimulating hormone receptor' and Ligand = 'BDBM50253743'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Melanocyte-stimulating hormone receptor (Homo sapiens (Human))	BDBM50253743 (1-Amino-N-((R)-3-(4-fluorophenyl)-1-((S)-4-((S)-1-...) Show SMILES CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1(N)CCC1 |r| Show InChI InChI=1S/C35H42FN5O4/c1-3-7-29-33(44)41(30(31(42)38-2)22-24-10-13-25-8-4-5-9-26(25)20-24)19-18-40(29)32(43)28(21-23-11-14-27(36)15-12-23)39-34(45)35(37)16-6-17-35/h4-5,8-15,20,28-30H,3,6-7,16-19,21-22,37H2,1-2H3,(H,38,42)(H,39,45)/t28-,29+,30+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	144	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of europium-labeled NDP-alpha-MSH from human MC1R expressed in HEK293 cells				J Med Chem 51: 6055-66 (2008) Article DOI: 10.1021/jm800525p BindingDB Entry DOI: 10.7270/Q2DV1JQC
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Homo sapiens (Human))	BDBM50253743 (1-Amino-N-((R)-3-(4-fluorophenyl)-1-((S)-4-((S)-1-...) Show SMILES CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1(N)CCC1 |r| Show InChI InChI=1S/C35H42FN5O4/c1-3-7-29-33(44)41(30(31(42)38-2)22-24-10-13-25-8-4-5-9-26(25)20-24)19-18-40(29)32(43)28(21-23-11-14-27(36)15-12-23)39-34(45)35(37)16-6-17-35/h4-5,8-15,20,28-30H,3,6-7,16-19,21-22,37H2,1-2H3,(H,38,42)(H,39,45)/t28-,29+,30+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	48	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human MC1R expressed in HEK293 cells assessed as effect on CRE-driven luminescence by luciferase reporter gene assay				J Med Chem 51: 6055-66 (2008) Article DOI: 10.1021/jm800525p BindingDB Entry DOI: 10.7270/Q2DV1JQC
					More data for this Ligand-Target Pair