Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2D6' and Ligand = 'BDBM50295550'   

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))	BDBM50295550 (4-(3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl)-N-(6,7,8...) Show SMILES O=C(NC1CCc2ccccc2CC1)N1CCC(CC1)c1nc(no1)-c1ccccn1 Show InChI InChI=1S/C24H27N5O2/c30-24(26-20-10-8-17-5-1-2-6-18(17)9-11-20)29-15-12-19(13-16-29)23-27-22(28-31-23)21-7-3-4-14-25-21/h1-7,14,19-20H,8-13,15-16H2,(H,26,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2D6				J Med Chem 52: 5009-12 (2010) Article DOI: 10.1021/jm900725r BindingDB Entry DOI: 10.7270/Q2TX3G8W
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