Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Lactoylglutathione lyase' and Ligand = 'BDBM50069024'   

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))	BDBM50069024 (2-Amino-4-[1-(carboxymethyl-carbamoyl)-3-(hydroxy-...) Show SMILES CN(O)C(=O)CCC(NC(=O)CCC([NH3+])C([O-])=O)C(=O)NCC(O)=O Show InChI InChI=1S/C13H22N4O8/c1-17(25)10(19)5-3-8(12(22)15-6-11(20)21)16-9(18)4-2-7(14)13(23)24/h7-8,25H,2-6,14H2,1H3,(H,15,22)(H,16,18)(H,20,21)(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.90E+3	n/a	n/a	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 by using enzymatic assay at each of 6 substrate concentrations between 0.1 mM and...				Bioorg Med Chem Lett 8: 705-10 (1999) BindingDB Entry DOI: 10.7270/Q2KH0MGS
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50069024 (2-Amino-4-[1-(carboxymethyl-carbamoyl)-3-(hydroxy-...) Show SMILES CN(O)C(=O)CCC(NC(=O)CCC([NH3+])C([O-])=O)C(=O)NCC(O)=O Show InChI InChI=1S/C13H22N4O8/c1-17(25)10(19)5-3-8(12(22)15-6-11(20)21)16-9(18)4-2-7(14)13(23)24/h7-8,25H,2-6,14H2,1H3,(H,15,22)(H,16,18)(H,20,21)(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.90E+3	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
					More data for this Ligand-Target Pair