Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Lactoylglutathione lyase' and Ligand = 'BDBM50069026'   

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))	BDBM50069026 (2-Amino-4-[1-(ethoxycarbonylmethyl-carbamoyl)-3-(h...) Show SMILES CCOC(=O)CNC(=O)C(CCC(=O)N(C)O)NC(=O)CCC([NH3+])C([O-])=O Show InChI InChI=1S/C15H26N4O8/c1-3-27-13(22)8-17-14(23)10(5-7-12(21)19(2)26)18-11(20)6-4-9(16)15(24)25/h9-10,26H,3-8,16H2,1-2H3,(H,17,23)(H,18,20)(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.41E+5	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 is determined with 0.5 mM substrate				Bioorg Med Chem Lett 8: 705-10 (1999) BindingDB Entry DOI: 10.7270/Q2KH0MGS
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