Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2E1' and Ligand = 'BDBM50501823'   

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))	BDBM50501823 (CHEMBL3261573) Show SMILES COc1ccccc1N1C(SCC1=O)c1cccc(c1)C(=O)NCCc1ccc(Br)cc1 Show InChI InChI=1S/C25H23BrN2O3S/c1-31-22-8-3-2-7-21(22)28-23(29)16-32-25(28)19-6-4-5-18(15-19)24(30)27-14-13-17-9-11-20(26)12-10-17/h2-12,15,25H,13-14,16H2,1H3,(H,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of CYP2E1 in human liver microsomes using chlorzoxazone as substrate preincubated for 5 mins followed by NADPH-generating system addition ...				J Med Chem 62: 4949-4966 (2019) Article DOI: 10.1021/acs.jmedchem.9b00059 BindingDB Entry DOI: 10.7270/Q2XS5ZNX
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