Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2D6' and Ligand = 'BDBM50334941'   

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
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50334941 (1-(4-(methylsulfonyl)phenyl)-3-(trifluoromethyl)-4...) Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nc(c2CCCCc12)C(F)(F)F Show InChI InChI=1S/C15H15F3N2O2S/c1-23(21,22)11-8-6-10(7-9-11)20-13-5-3-2-4-12(13)14(19-20)15(16,17)18/h6-9H,2-5H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Sussex Curated by ChEMBL					Assay Description Inhibition of human CYP2D6 by fluorescence assay				J Med Chem 54: 78-94 (2011) Article DOI: 10.1021/jm100679e BindingDB Entry DOI: 10.7270/Q21C1XVG
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