Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2D6' and Ligand = 'BDBM50143950'   

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))	BDBM50143950 (CHEMBL305591 | N-Benzyl-2-{4-[3-(2,6-dimethyl-phen...) Show SMILES Cc1cccc(C)c1OCC(O)CN1CCN(CC1)C(C(=O)NCc1ccccc1)c1ccc(F)cc1 Show InChI InChI=1S/C30H36FN3O3/c1-22-7-6-8-23(2)29(22)37-21-27(35)20-33-15-17-34(18-16-33)28(25-11-13-26(31)14-12-25)30(36)32-19-24-9-4-3-5-10-24/h3-14,27-28,35H,15-21H2,1-2H3,(H,32,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+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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