Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glutathione S-transferase A2' and Ligand = 'BDBM50361807'   

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
Glutathione S-transferase A2 (Homo sapiens (Human))	BDBM50361807 (CHEMBL1938625) Show SMILES CC(=O)OCC1C[C@@H](OCc2ccccc2)C(=O)C(=O)C1O |r| Show InChI InChI=1S/C16H18O6/c1-10(17)21-9-12-7-13(15(19)16(20)14(12)18)22-8-11-5-3-2-4-6-11/h2-6,12-14,18H,7-9H2,1H3/t12?,13-,14?/m1/s1	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemistry, Academia Sinica Curated by ChEMBL					Assay Description Inhibition of human GSTA2 using GSH as substrate after 3 mins by spectrophotometry				J Med Chem 54: 8574-81 (2011) Article DOI: 10.1021/jm201131n BindingDB Entry DOI: 10.7270/Q26D5TDT
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