Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glutathione S-transferase kappa 1' and Ligand = 'BDBM50064878'   

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 kappa 1 (Homo sapiens (Human))	BDBM50064878 (5-Mercaptomethyl-undecanedioic acid | CHEMBL75497) Show SMILES OC(=O)CCCCCC(CS)CCCC(O)=O Show InChI InChI=1S/C12H22O4S/c13-11(14)7-3-1-2-5-10(9-17)6-4-8-12(15)16/h10,17H,1-9H2,(H,13,14)(H,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université Sidi Mohamed Ben Abdellah Curated by ChEMBL					Assay Description Affinity towards recombinant Glutathione S-transferase (GST) Enzyme.				J Med Chem 41: 2278-88 (1998) Article DOI: 10.1021/jm970518m BindingDB Entry DOI: 10.7270/Q2154G56
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