Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2D6' and Ligand = 'BDBM50428595'   

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))	BDBM50428595 (CHEMBL2337980) Show SMILES CC(C)(C)NC(=O)NCCN1CCC(O)(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1 Show InChI InChI=1S/C20H30Cl2N4O3/c1-19(2,3)25-18(28)23-6-9-26-7-4-20(29,5-8-26)13-24-17(27)14-10-15(21)12-16(22)11-14/h10-12,29H,4-9,13H2,1-3H3,(H,24,27)(H2,23,25,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2D6-mediated 7-methoxy-4(aminomethyl)-coumarine degradation				Bioorg Med Chem Lett 23: 119-24 (2012) Article DOI: 10.1016/j.bmcl.2012.10.140 BindingDB Entry DOI: 10.7270/Q26974X0
					More data for this Ligand-Target Pair