Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Lactoylglutathione lyase' and Ligand = 'BDBM50517470'   

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))	BDBM50517470 (CHEMBL4448798) Show SMILES CS(=O)(=O)Nc1ccc(-c2ccc3OCOc3c2)c2cccnc12 Show InChI InChI=1S/C17H14N2O4S/c1-24(20,21)19-14-6-5-12(13-3-2-8-18-17(13)14)11-4-7-15-16(9-11)23-10-22-15/h2-9,19H,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition recombinant human N-terminal 6His-tagged GLO1 (2 to 184 residues) expressed in Escherichia coli using MG as substrate preincubated for 15 ...				J Med Chem 62: 1609-1625 (2019) Article DOI: 10.1021/acs.jmedchem.8b01868 BindingDB Entry DOI: 10.7270/Q2251NJC
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