Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2E1' and Ligand = 'BDBM50234734'   

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 (Homo sapiens (Human))	BDBM50234734 (CHEMBL4094462) Show SMILES CCCCCc1ccc(NC(=O)COc2cc(C)nc3ccc(OC)cc23)cc1 Show InChI InChI=1S/C24H28N2O3/c1-4-5-6-7-18-8-10-19(11-9-18)26-24(27)16-29-23-14-17(2)25-22-13-12-20(28-3)15-21(22)23/h8-15H,4-7,16H2,1-3H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Pontif£cia Universidade Cat£lica do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of CYP2E1 in human liver microsomes using chlorzoxazone as substrate by HPLC-MS/MS method				Eur J Med Chem 126: 491-501 (2017) Article DOI: 10.1016/j.ejmech.2016.11.048 BindingDB Entry DOI: 10.7270/Q2988972
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