Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2D6' and Ligand = 'BDBM50143947'   

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))	BDBM50143947 (4-Fluoro-N-{2-[4-(2-hydroxy-3-phenoxy-propyl)-pipe...) Show SMILES OC(COc1ccccc1)CN1CCN(CC1)C(CNC(=O)c1ccc(F)cc1)c1ccccc1 Show InChI InChI=1S/C28H32FN3O3/c29-24-13-11-23(12-14-24)28(34)30-19-27(22-7-3-1-4-8-22)32-17-15-31(16-18-32)20-25(33)21-35-26-9-5-2-6-10-26/h1-14,25,27,33H,15-21H2,(H,30,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.00E+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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