Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2D6' and Ligand = 'BDBM50311420'   

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))	BDBM50311420 (7-((6-(piperidin-1-yl)pyridin-3-ylsulfonyl)methyl)...) Show SMILES O=S(=O)(Cc1ccc2CCNCCc2c1)c1ccc(nc1)N1CCCCC1 Show InChI InChI=1S/C21H27N3O2S/c25-27(26,16-17-4-5-18-8-10-22-11-9-19(18)14-17)20-6-7-21(23-15-20)24-12-2-1-3-13-24/h4-7,14-15,22H,1-3,8-13,16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2D6				Bioorg Med Chem Lett 19: 6452-8 (2009) Article DOI: 10.1016/j.bmcl.2009.09.027 BindingDB Entry DOI: 10.7270/Q2DV1K0C
					More data for this Ligand-Target Pair