Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2D6' and Ligand = 'BDBM50302543'   

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))	BDBM50302543 ((R)-1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-(1H-pyr...) Show SMILES C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2ccncc12)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C21H20N4O3/c1-14-13-24(20(27)15-5-3-2-4-6-15)9-10-25(14)21(28)19(26)17-12-23-18-7-8-22-11-16(17)18/h2-8,11-12,14,23H,9-10,13H2,1H3/t14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of recombinant CYP2D6				J Med Chem 52: 7778-87 (2009) Article DOI: 10.1021/jm900843g BindingDB Entry DOI: 10.7270/Q2Q81D5G
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