Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2D6' and Ligand = 'BDBM50306605'   

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))	BDBM50306605 ((S)-1,1,1-trifluoro-3-((S)-3-(3-(1,1,2,2-tetrafluo...) Show SMILES O[C@@H](CN1[C@H](COc2c1cccc2-c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F |r| Show InChI InChI=1S/C26H19F10NO4/c27-23(28)25(32,33)40-16-6-2-5-15(11-16)20-13-39-22-18(14-4-1-7-17(10-14)41-26(34,35)36)8-3-9-19(22)37(20)12-21(38)24(29,30)31/h1-11,20-21,23,38H,12-13H2/t20-,21+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes				Bioorg Med Chem Lett 20: 1432-5 (2010) Article DOI: 10.1016/j.bmcl.2009.12.096 BindingDB Entry DOI: 10.7270/Q2WW7HRC
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