Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glutathione S-transferase A2' and Ligand = 'BDBM50361797'   

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))	BDBM50361797 (CHEMBL1938638) Show SMILES CO[C@]1(C)O[C@H]2[C@@H](OC\C=C\c3ccccc3)C=C(COC(C)=O)C(=O)[C@@H]2O[C@@]1(C)OC |r,t:18| Show InChI InChI=1S/C24H30O8/c1-16(25)30-15-18-14-19(29-13-9-12-17-10-7-6-8-11-17)21-22(20(18)26)32-24(3,28-5)23(2,27-4)31-21/h6-12,14,19,21-22H,13,15H2,1-5H3/b12-9+/t19-,21-,22-,23+,24+/m0/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	9.42E+4	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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