Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Lactoylglutathione lyase' and Ligand = 'BDBM50336260'   

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))	BDBM50336260 (4-(hydroxymethylene)-1,7-bis(4-methoxyphenyl)hepta...) Show SMILES COc1ccc(C=CC(=O)C(C=O)C(=O)C=Cc2ccc(OC)cc2)cc1 |w:7.7,16.16| Show InChI InChI=1S/C22H20O5/c1-26-18-9-3-16(4-10-18)7-13-21(24)20(15-23)22(25)14-8-17-5-11-19(27-2)12-6-17/h3-15,20H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.09E+5	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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