Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2B6' and Ligand = 'BDBM50286071'   

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 2B6 (Homo sapiens (Human))	BDBM50286071 (CHEMBL4166742) Show SMILES Cl.OC(=O)CNC(=O)c1c(O)cc(CCc2ccccc2)n2ncnc12 Show InChI InChI=1S/C17H16N4O4/c22-13-8-12(7-6-11-4-2-1-3-5-11)21-16(19-10-20-21)15(13)17(25)18-9-14(23)24/h1-5,8,10,22H,6-7,9H2,(H,18,25)(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2B6 in human liver microsomes by LC-MS/MS analysis				ACS Med Chem Lett 8: 1320-1325 (2017) Article DOI: 10.1021/acsmedchemlett.7b00404 BindingDB Entry DOI: 10.7270/Q21N83N8
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