Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2D6' and Ligand = 'BDBM50499448'   

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))	BDBM50499448 (CHEMBL3740908) Show SMILES CC(C)c1nc(C(=O)NC2CCN(CCF)CC2)c2ccccn12 Show InChI InChI=1S/C18H25FN4O/c1-13(2)17-21-16(15-5-3-4-9-23(15)17)18(24)20-14-6-10-22(11-7-14)12-8-19/h3-5,9,13-14H,6-8,10-12H2,1-2H3,(H,20,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
Suven Life Sciences Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 12 mins by LC-MS/MS analysis in presence of NADPH regenerati...				Eur J Med Chem 103: 289-301 (2015) Article DOI: 10.1016/j.ejmech.2015.08.051 BindingDB Entry DOI: 10.7270/Q20C4ZST
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