Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Melanocyte-stimulating hormone receptor' and Ligand = 'BDBM50179142'   

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))	BDBM50179142 ((R)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic a...) Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(CN3CCCS3(=O)=O)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C34H45ClN4O4S/c35-29-13-11-25(12-14-29)21-31(37-32(40)30-22-26-7-4-5-8-27(26)23-36-30)33(41)38-18-15-34(16-19-38,28-9-2-1-3-10-28)24-39-17-6-20-44(39,42)43/h4-5,7-8,11-14,28,30-31,36H,1-3,6,9-10,15-24H2,(H,37,40)/t30-,31-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]NDP-alpha-MSH from human MC1BR expressed in CHO cells				Bioorg Med Chem Lett 16: 1130-3 (2006) Article DOI: 10.1016/j.bmcl.2005.11.095 BindingDB Entry DOI: 10.7270/Q2NG4Q5S
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Homo sapiens (Human))	BDBM50179142 ((R)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic a...) Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(CN3CCCS3(=O)=O)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C34H45ClN4O4S/c35-29-13-11-25(12-14-29)21-31(37-32(40)30-22-26-7-4-5-8-27(26)23-36-30)33(41)38-18-15-34(16-19-38,28-9-2-1-3-10-28)24-39-17-6-20-44(39,42)43/h4-5,7-8,11-14,28,30-31,36H,1-3,6,9-10,15-24H2,(H,37,40)/t30-,31-/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	680	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Activity against human MC1BR by cAMP accumulation				Bioorg Med Chem Lett 16: 1130-3 (2006) Article DOI: 10.1016/j.bmcl.2005.11.095 BindingDB Entry DOI: 10.7270/Q2NG4Q5S
					More data for this Ligand-Target Pair