Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2D6' and Ligand = 'BDBM50337913'   

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))	BDBM50337913 ((+/-)-N,N-dimethyl-1-(1-(naphthalen-2-yl)cyclohexy...) Show SMILES CC(N(C)C)C1(CCCCC1)c1ccc2ccccc2c1 Show InChI InChI=1S/C20H27N/c1-16(21(2)3)20(13-7-4-8-14-20)19-12-11-17-9-5-6-10-18(17)15-19/h5-6,9-12,15-16H,4,7-8,13-14H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sunovion Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 21: 1434-7 (2011) Article DOI: 10.1016/j.bmcl.2011.01.019 BindingDB Entry DOI: 10.7270/Q2CV4J2P
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