Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glutathione S-transferase A2' and Ligand = 'BDBM50088968'   

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))	BDBM50088968 (2-Amino-4-[1-(carboxymethyl-carbamoyl)-2-(1-methyl...) Show SMILES CCC(=O)CC(C)SCC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O Show InChI InChI=1S/C16H27N3O7S/c1-3-10(20)6-9(2)27-8-12(15(24)18-7-14(22)23)19-13(21)5-4-11(17)16(25)26/h9,11-12H,3-8,17H2,1-2H3,(H,18,24)(H,19,21)(H,22,23)(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Wales Curated by ChEMBL					Assay Description The compound was tested for it's inhibitory activity against Onchocerca volvulus Glutathione S-transferase 2				Bioorg Med Chem Lett 10: 979-81 (2000) BindingDB Entry DOI: 10.7270/Q2BZ6589
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