Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2D6' and Ligand = 'BDBM50249411'   

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))	BDBM50249411 (5-amino-4-morpholino-6-(neopentylamino)pyrimidine-...) Show SMILES CC(C)(C)CNc1nc(nc(N2CCOCC2)c1N)C#N Show InChI InChI=1S/C14H22N6O/c1-14(2,3)9-17-12-11(16)13(19-10(8-15)18-12)20-4-6-21-7-5-20/h4-7,9,16H2,1-3H3,(H,17,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 19: 1658-61 (2009) Article DOI: 10.1016/j.bmcl.2009.01.110 BindingDB Entry DOI: 10.7270/Q2571BWR
					More data for this Ligand-Target Pair