Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2D6' and Ligand = 'BDBM50331168'   

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))	BDBM50331168 (1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)-4...) Show SMILES FC(F)(F)c1ccc(cc1)-c1ccn(-c2ccc3n(CCN4CCCC4)ncc3c2)c(=O)c1 Show InChI InChI=1S/C25H23F3N4O/c26-25(27,28)21-5-3-18(4-6-21)19-9-12-31(24(33)16-19)22-7-8-23-20(15-22)17-29-32(23)14-13-30-10-1-2-11-30/h3-9,12,15-17H,1-2,10-11,13-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 20: 7020-3 (2010) Article DOI: 10.1016/j.bmcl.2010.09.037 BindingDB Entry DOI: 10.7270/Q2639PZR
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