Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2D6' and Ligand = 'BDBM50131697'   

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))	BDBM50131697 (CHEMBL3633320) Show SMILES [O-][N+](=O)c1ncn(CC(=O)N2CCN(Cc3ccc(cc3)C(F)(F)F)CC2)n1 Show InChI InChI=1S/C16H17F3N6O3/c17-16(18,19)13-3-1-12(2-4-13)9-22-5-7-23(8-6-22)14(26)10-24-11-20-15(21-24)25(27)28/h1-4,11H,5-10H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
NorthShore University HealthSystem Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human Liver microsomes after 5 mins by LC-MS/MS method				Eur J Med Chem 103: 325-34 (2015) Article DOI: 10.1016/j.ejmech.2015.08.042 BindingDB Entry DOI: 10.7270/Q2639RKN
					More data for this Ligand-Target Pair