Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Lactoylglutathione lyase' and Ligand = 'BDBM50526948'   

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))	BDBM50526948 (CHEMBL4559486) Show SMILES N[C@@H](CCC(=O)N[C@@H](CSC(=O)N(O)c1cccc(c1)C#C)C(=O)NCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C19H22N4O8S/c1-2-11-4-3-5-12(8-11)23(31)19(30)32-10-14(17(27)21-9-16(25)26)22-15(24)7-6-13(20)18(28)29/h1,3-5,8,13-14,31H,6-7,9-10,20H2,(H,21,27)(H,22,24)(H,25,26)(H,28,29)/t13-,14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chengdu University Curated by ChEMBL					Assay Description Competitive inhibition of human Glyoxalase-1 using GSH and MGO as substrate				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115243 BindingDB Entry DOI: 10.7270/Q2Z60SG5
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