Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2D6' and Ligand = 'BDBM50376014'   

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))	BDBM50376014 (CHEMBL270978) Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3cc(C)no3)c2cc1OC Show InChI InChI=1S/C26H21N3O5/c1-15-11-25(34-29-15)28-26(30)19-6-4-5-16-12-17(7-8-18(16)19)33-22-9-10-27-21-14-24(32-3)23(31-2)13-20(21)22/h4-14H,1-3H3,(H,28,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2D6				J Med Chem 51: 1649-67 (2008) Article DOI: 10.1021/jm701097z BindingDB Entry DOI: 10.7270/Q29C6Z8N
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