Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2D6' and Ligand = 'BDBM50376028'   

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))	BDBM50376028 (CHEMBL406388) Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3cccnc3)c2cc1OC Show InChI InChI=1S/C27H21N3O4/c1-32-25-14-22-23(15-26(25)33-2)29-12-10-24(22)34-19-8-9-20-17(13-19)5-3-7-21(20)27(31)30-18-6-4-11-28-16-18/h3-16H,1-2H3,(H,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+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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