BDBM50076046 2-Amino-3-{3-[2-(4-bromo-benzylsulfanyl)-1-(carboxymethyl-carbamoyl)-ethyl]-ureido}-propionic acid::CHEMBL169254

SMILES: NC(CNC(=O)NC(CSCc1ccc(Br)cc1)C(=O)NCC(O)=O)C(O)=O

InChI Key: InChIKey=SZXMTYLWMWJTJM-UHFFFAOYSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50076046   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Glyoxalase 1 (GLO1) (Homo sapiens (Human))	BDBM50076046 (2-Amino-3-{3-[2-(4-bromo-benzylsulfanyl)-1-(carbox...) Show SMILES NC(CNC(=O)NC(CSCc1ccc(Br)cc1)C(=O)NCC(O)=O)C(O)=O Show InChI InChI=1S/C16H21BrN4O6S/c17-10-3-1-9(2-4-10)7-28-8-12(14(24)19-6-13(22)23)21-16(27)20-5-11(18)15(25)26/h1-4,11-12H,5-8,18H2,(H,19,24)(H,22,23)(H,25,26)(H2,20,21,27)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.55E+4	n/a	n/a	n/a	n/a	n/a	n/a	6.6	n/a
University of Minnesota Curated by ChEMBL					Assay Description Ability to inhibit yeast glyoxalase I enzyme in 0.05 M phosphate buffer, pH 6.6, 30 degree C				Bioorg Med Chem Lett 9: 853-6 (1999) BindingDB Entry DOI: 10.7270/Q2X63M4F
					More data for this Ligand-Target Pair