Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melanocyte-stimulating hormone receptor' and Ligand = 'BDBM50217717'   

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)	BDBM50217717 (CHEMBL393994 | methyl 4-((N-(4-((4-aminocyclohexyl...) Show SMILES COC(=O)c1ccc(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c[nH]c3ccccc23)cc1 |(25.03,-34.28,;26.37,-35.05,;27.7,-34.28,;27.7,-32.74,;29.04,-35.05,;30.37,-34.28,;31.7,-35.05,;31.7,-36.59,;33.03,-37.36,;34.36,-36.59,;34.36,-35.03,;35.71,-34.26,;35.72,-32.71,;34.37,-31.93,;34.38,-30.39,;35.71,-29.62,;37.04,-30.41,;38.38,-29.65,;38.39,-28.11,;39.73,-27.35,;37.06,-27.33,;35.72,-28.09,;33.02,-32.7,;33.01,-34.26,;35.71,-37.37,;35.71,-38.92,;37.05,-36.59,;38.38,-37.36,;39.72,-36.58,;41.05,-37.35,;41.63,-35.93,;43.17,-36.03,;43.54,-37.53,;44.89,-38.25,;44.94,-39.78,;43.63,-40.6,;42.28,-39.87,;42.23,-38.33,;30.37,-37.36,;29.04,-36.59,)| Show InChI InChI=1S/C34H45N3O3/c1-40-34(39)27-15-9-26(10-16-27)23-37(30-19-13-25(14-20-30)21-24-11-17-29(35)18-12-24)33(38)8-4-5-28-22-36-32-7-3-2-6-31(28)32/h2-3,6-7,9-10,15-16,22,24-25,29-30,36H,4-5,8,11-14,17-21,23,35H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10E+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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