Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2D6' and Ligand = 'BDBM50208007'   

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))	BDBM50208007 (3-(1-(3-chlorobenzyl)-piperidin-4-yl)-5,5-di-(4-fl...) Show SMILES Fc1ccc(cc1)C1(CN(C2CCN(Cc3cccc(Cl)c3)CC2)C(=O)N1)c1ccc(F)cc1 Show InChI InChI=1S/C27H26ClF2N3O/c28-22-3-1-2-19(16-22)17-32-14-12-25(13-15-32)33-18-27(31-26(33)34,20-4-8-23(29)9-5-20)21-6-10-24(30)11-7-21/h1-11,16,25H,12-15,17-18H2,(H,31,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Via Zambeletti 25 Curated by ChEMBL					Assay Description Inhibition of human CYP2D6 expressed in insect cells				J Med Chem 50: 1571-83 (2007) Article DOI: 10.1021/jm061159a BindingDB Entry DOI: 10.7270/Q2QV3M61
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