Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2E1' and Ligand = 'BDBM31682'   

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 2E1 (Rattus norvegicus (rat))	BDBM31682 (imidazole-dioxolane, 32) Show SMILES FC[C@@H]1CO[C@@](CCc2ccc(Cl)cc2)(Cn2ccnc2)O1 |r| Show InChI InChI=1S/C16H18ClFN2O2/c17-14-3-1-13(2-4-14)5-6-16(11-20-8-7-19-12-20)21-10-15(9-18)22-16/h1-4,7-8,12,15H,5-6,9-11H2/t15-,16-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	7.4	n/a
Queen's University					Assay Description CYP2E1 hydroxylation of p-nitrophenol was determined by the spectrophotometric measurement of 4-nitrocatechol. Briefly, reaction mixture consisting o...				Bioorg Med Chem 17: 2461-75 (2009) Article DOI: 10.1016/j.bmc.2009.01.078 BindingDB Entry DOI: 10.7270/Q2WQ0250
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