Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Lactoylglutathione lyase' and Ligand = 'BDBM50336271'   

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))	BDBM50336271 (4-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-hexa-3,5-d...) Show SMILES COc1cc(C=CC(=O)CC(C)=O)ccc1O |w:5.4| Show InChI InChI=1S/C13H14O4/c1-9(14)7-11(15)5-3-10-4-6-12(16)13(8-10)17-2/h3-6,8,16H,7H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged glyoxalase 1 expressed in Escherichia coli BL21 (DE3) preincubated for 20 mins by Dixon plot analysis				Bioorg Med Chem 19: 1189-96 (2011) Article DOI: 10.1016/j.bmc.2010.12.039 BindingDB Entry DOI: 10.7270/Q2222V2X
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