Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2D6' and Ligand = 'BDBM50143946'   

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))	BDBM50143946 (CHEMBL64177 | N-(2-{4-[2-Hydroxy-3-(4-methoxy-phen...) Show SMILES COc1ccc(OCC(O)CN2CCN(CC2)C(CNC(=O)c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C29H35N3O4/c1-35-26-12-14-27(15-13-26)36-22-25(33)21-31-16-18-32(19-17-31)28(23-8-4-2-5-9-23)20-30-29(34)24-10-6-3-7-11-24/h2-15,25,28,33H,16-22H2,1H3,(H,30,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc Curated by ChEMBL					Assay Description Predictive competitive inhibition of cytochrome P450 2D6 was determined in silico				Bioorg Med Chem Lett 14: 2025-30 (2004) Article DOI: 10.1016/j.bmcl.2004.02.078 BindingDB Entry DOI: 10.7270/Q22J6B8R
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