Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Lactoylglutathione lyase' and Ligand = 'BDBM50517461'   

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))	BDBM50517461 (CHEMBL4575972) Show SMILES COc1cc(OC)cc(c1)-c1ccc(NS(=O)(=O)c2ccccn2)c2ncccc12 Show InChI InChI=1S/C22H19N3O4S/c1-28-16-12-15(13-17(14-16)29-2)18-8-9-20(22-19(18)6-5-11-24-22)25-30(26,27)21-7-3-4-10-23-21/h3-14,25H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.19E+3	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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