Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2D6' and Ligand = 'BDBM50454647'   

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))	BDBM50454647 (CHEMBL4209700) Show SMILES CCCCNc1nc(N)nc2cccc(OCc3ccccc3)c12 Show InChI InChI=1S/C19H22N4O/c1-2-3-12-21-18-17-15(22-19(20)23-18)10-7-11-16(17)24-13-14-8-5-4-6-9-14/h4-11H,2-3,12-13H2,1H3,(H3,20,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases Diagnostics BVBA Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 28: 711-719 (2018) Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K
					More data for this Ligand-Target Pair