Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Lactoylglutathione lyase' and Ligand = 'BDBM50069027'   

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
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50069027 (2-Amino-4-[1-(ethoxycarbonylmethyl-carbamoyl)-3-hy...) Show SMILES CCOC(=O)CNC(=O)C(CCC(=O)NO)NC(=O)CCC([NH3+])C([O-])=O Show InChI InChI=1S/C14H24N4O8/c1-2-26-12(21)7-16-13(22)9(4-6-11(20)18-25)17-10(19)5-3-8(15)14(23)24/h8-9,25H,2-7,15H2,1H3,(H,16,22)(H,17,19)(H,18,20)(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.62E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of S. cerevisiae glyoxalase-I, activity i determined with 0.5 mM substrate				Bioorg Med Chem Lett 8: 705-10 (1999) BindingDB Entry DOI: 10.7270/Q2KH0MGS
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