Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melanocyte-stimulating hormone receptor' and Ligand = 'BDBM50217738'   

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)	BDBM50217738 (CHEMBL237698 | N-(2,6-dichlorobenzyl)-4-(2-(4-hydr...) Show SMILES NC1CCC(CC2CCC(CC2)N(Cc2c(Cl)cccc2Cl)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)CC1 |(16.09,-32.96,;14.76,-33.74,;14.77,-35.28,;13.45,-36.06,;12.1,-35.29,;10.78,-36.08,;10.8,-37.62,;12.15,-38.38,;12.17,-39.93,;10.83,-40.72,;9.47,-39.97,;9.46,-38.41,;10.86,-42.28,;9.5,-43.24,;9.52,-46,;10.86,-46.76,;12.19,-45.96,;10.9,-48.29,;9.58,-49.08,;8.23,-48.33,;8.2,-46.79,;6.86,-46.04,;12.21,-43.04,;12.24,-44.59,;13.54,-42.24,;14.88,-42.98,;16.22,-42.21,;17.54,-42.97,;18.95,-42.3,;19.71,-40.96,;21.25,-40.94,;22.03,-42.27,;23.57,-42.26,;24.33,-40.92,;25.87,-40.91,;23.54,-39.59,;22,-39.61,;20,-43.42,;19.25,-44.77,;19.75,-46.21,;18.74,-47.37,;17.23,-47.07,;16.74,-45.62,;17.75,-44.47,;12.09,-33.76,;13.42,-32.98,)| Show InChI InChI=1S/C39H47Cl2N3O2/c40-35-7-4-8-36(41)34(35)25-44(30-19-13-27(14-20-30)23-26-11-17-29(42)18-12-26)39(46)10-3-6-33-32-5-1-2-9-37(32)43-38(33)24-28-15-21-31(45)22-16-28/h1-2,4-5,7-9,15-16,21-22,26-27,29-30,43,45H,3,6,10-14,17-20,23-25,42H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+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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