Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2D6' and Ligand = 'BDBM50262574'   

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))	BDBM50262574 (CHEMBL4085919) Show SMILES Fc1ccc(NC(=O)c2cc(Oc3cncnc3)cn3ncnc23)nc1 Show InChI InChI=1S/C16H10FN7O2/c17-10-1-2-14(20-4-10)23-16(25)13-3-11(7-24-15(13)21-9-22-24)26-12-5-18-8-19-6-12/h1-9H,(H,20,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt Center for Neuroscience Drug Discovery, Vanderbilt University, Nashville, TN 37232, USA; Department of Pharmacology, Vanderbilt University, Nashville, TN 37232, USA. Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate pretreated for 15 mins followed by NADPH addition measured after 8...				Bioorg Med Chem Lett 27: 4858-4866 (2017) Article DOI: 10.1016/j.bmcl.2017.09.042 BindingDB Entry DOI: 10.7270/Q2V1278Z
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