Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melanocyte-stimulating hormone receptor' and Ligand = 'BDBM50217637'   

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 (Mus musculus)	BDBM50217637 ((E)-N-(4-aminobutyl)-2-(1-(4-chlorobenzoyl)-5-meth...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N(CCCCN)C\C(C)=C\c3ccccc3)c2c1 Show InChI InChI=1S/C33H36ClN3O3/c1-23(19-25-9-5-4-6-10-25)22-36(18-8-7-17-35)32(38)21-29-24(2)37(31-16-15-28(40-3)20-30(29)31)33(39)26-11-13-27(34)14-12-26/h4-6,9-16,19-20H,7-8,17-18,21-22,35H2,1-3H3/b23-19+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Displacement of [125I]NDP-MSH from MC1 receptor in mouse B16 cells				Bioorg Med Chem 15: 5787-810 (2007) Article DOI: 10.1016/j.bmc.2007.06.003 BindingDB Entry DOI: 10.7270/Q2X066Q5
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