Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melanocyte-stimulating hormone receptor' and Ligand = 'BDBM50217711'   

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)	BDBM50217711 (CHEMBL237291 | N-{4-[(4-aminocyclohexyl)methyl]cyc...) Show SMILES Cc1cccc(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c[nH]c3ccccc23)c1 |(-10.54,-4.79,;-9.23,-4,;-9.25,-2.45,;-7.93,-1.66,;-6.58,-2.42,;-6.56,-3.96,;-5.22,-4.71,;-3.9,-3.92,;-3.92,-2.36,;-2.58,-1.57,;-2.6,-.02,;-3.96,.74,;-3.97,2.28,;-2.65,3.07,;-1.31,2.3,;.02,3.08,;0,4.62,;1.33,5.41,;-1.34,5.38,;-2.67,4.6,;-5.29,-.05,;-5.29,-1.61,;-2.54,-4.68,;-2.52,-6.23,;-1.21,-3.88,;.12,-4.61,;1.46,-3.84,;2.81,-4.57,;4.21,-3.93,;5.25,-5.06,;4.5,-6.41,;4.99,-7.85,;3.99,-9.01,;2.47,-8.71,;1.98,-7.26,;2.99,-6.1,;-7.88,-4.74,)| Show InChI InChI=1S/C33H45N3O/c1-24-6-4-7-27(20-24)23-36(30-18-14-26(15-19-30)21-25-12-16-29(34)17-13-25)33(37)11-5-8-28-22-35-32-10-3-2-9-31(28)32/h2-4,6-7,9-10,20,22,25-26,29-30,35H,5,8,11-19,21,23,34H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+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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