Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2D6' and Ligand = 'BDBM50243969'   

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))	BDBM50243969 (CHEMBL452298 | N-(1-Biphenyl-4-yl-2-morpholin-4-yl...) Show SMILES CN(CC(=O)N(C)C(CN1CCOCC1)c1ccc(cc1)-c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C28H31Cl2N3O2/c1-31(24-12-13-25(29)26(30)18-24)20-28(34)32(2)27(19-33-14-16-35-17-15-33)23-10-8-22(9-11-23)21-6-4-3-5-7-21/h3-13,18,27H,14-17,19-20H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 18: 3716-9 (2008) Article DOI: 10.1016/j.bmcl.2008.05.058 BindingDB Entry DOI: 10.7270/Q2RN37NJ
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