Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2D6' and Ligand = 'BDBM50143967'   

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))	BDBM50143967 (CHEMBL60568 | N-Benzyl-2-{4-[3-(2,6-dimethyl-pheno...) Show SMILES Cc1ccc(cc1)C(N1CCN(CC(O)COc2c(C)cccc2C)CC1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C31H39N3O3/c1-23-12-14-27(15-13-23)29(31(36)32-20-26-10-5-4-6-11-26)34-18-16-33(17-19-34)21-28(35)22-37-30-24(2)8-7-9-25(30)3/h4-15,28-29,35H,16-22H2,1-3H3,(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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