Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glutathione hydrolase 1 proenzyme' and Ligand = 'BDBM50248702'   

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 hydrolase 1 proenzyme (Homo sapiens (Human))	BDBM50248702 (2-(1,3-Benzodioxol-5-yl)-N,N',4-trimethyl-2,10-dih...) Show SMILES CNC(=O)C1C(C(C(=O)NC)=C(C)C2Sc3ccccc3N=C12)c1ccc2OCOc2c1 |t:10,22| Show InChI InChI=1S/C24H23N3O4S/c1-12-18(23(28)25-2)19(13-8-9-15-16(10-13)31-11-30-15)20(24(29)26-3)21-22(12)32-17-7-5-4-6-14(17)27-21/h4-10,19-20,22H,11H2,1-3H3,(H,25,28)(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of gamma-glutamyltranspeptidase (unknown origin) by colorimetric assay				Eur J Med Chem 44: 197-202 (2008) Article DOI: 10.1016/j.ejmech.2008.02.028 BindingDB Entry DOI: 10.7270/Q20K28B1
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