Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2D6' and Ligand = 'BDBM50143959'   

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))	BDBM50143959 (CHEMBL61283 | N-(2-{4-[3-(4-Chloro-phenoxy)-2-hydr...) Show SMILES COc1ccc(cc1)C(=O)NCC(N1CCN(CC(O)COc2ccc(Cl)cc2)CC1)c1ccccc1 Show InChI InChI=1S/C29H34ClN3O4/c1-36-26-11-7-23(8-12-26)29(35)31-19-28(22-5-3-2-4-6-22)33-17-15-32(16-18-33)20-25(34)21-37-27-13-9-24(30)10-14-27/h2-14,25,28,34H,15-21H2,1H3,(H,31,35)	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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