Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melanocyte-stimulating hormone receptor' and Ligand = 'BDBM50217708'   

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)	BDBM50217708 (CHEMBL235358 | N-(2-chloro-6-fluorophenethyl)-N-(4...) Show SMILES NC1CCC(CC2CCC(CC2)N(CCc2c(F)cccc2Cl)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(40.94,4.39,;39.61,3.61,;39.63,2.07,;38.3,1.29,;36.96,2.06,;35.64,1.27,;35.66,-.27,;37.01,-1.03,;37.03,-2.58,;35.69,-3.37,;34.33,-2.62,;34.32,-1.06,;35.71,-4.93,;34.39,-5.72,;34.42,-7.26,;33.1,-8.05,;31.76,-7.3,;31.74,-5.76,;30.44,-8.09,;30.46,-9.63,;31.82,-10.38,;33.13,-9.58,;34.48,-10.32,;37.07,-5.69,;37.09,-7.24,;38.4,-4.89,;39.74,-5.63,;41.07,-4.86,;42.39,-5.62,;43.81,-4.95,;44.86,-6.07,;44.11,-7.42,;44.6,-8.86,;43.6,-10.02,;42.08,-9.72,;41.59,-8.27,;42.61,-7.11,;36.95,3.59,;38.27,4.37,)| Show InChI InChI=1S/C33H43ClFN3O/c34-30-7-4-8-31(35)29(30)19-20-38(27-17-13-24(14-18-27)21-23-11-15-26(36)16-12-23)33(39)10-3-5-25-22-37-32-9-2-1-6-28(25)32/h1-2,4,6-9,22-24,26-27,37H,3,5,10-21,36H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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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