BDBM50195360 (2S)-2-amino-3-[({[(1R)-1-[({[(4-bromophenyl)(hydroxy)amino]carbonyl}thio)methyl]-2-(carboxyamino)-2-oxoethyl]amino}carbonyl)amino]propanoic acid::(S)-2-amino-3-(3-((R)-3-((4-bromophenyl)hydroxycarbamoylthio)-1-(carboxymethylamino)-1-oxopropan-2-yl)ureido)propanoic acid::CHEMBL221011

SMILES: N[C@@H](CNC(=O)N[C@@H](CSC(=O)N(O)c1ccc(Br)cc1)C(=O)NCC(O)=O)C(O)=O

InChI Key: InChIKey=QDBJJGZTEVNDAF-QWRGUYRKSA-N

Data: 2 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 2 hits for monomerid = 50195360   

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
Lactoylglutathione lyase (Saccharomyces cerevisiae)	BDBM50195360 ((2S)-2-amino-3-[({[(1R)-1-[({[(4-bromophenyl)(hydr...) Show SMILES N[C@@H](CNC(=O)N[C@@H](CSC(=O)N(O)c1ccc(Br)cc1)C(=O)NCC(O)=O)C(O)=O Show InChI InChI=1S/C16H20BrN5O8S/c17-8-1-3-9(4-2-8)22(30)16(29)31-7-11(13(25)19-6-12(23)24)21-15(28)20-5-10(18)14(26)27/h1-4,10-11,30H,5-7,18H2,(H,19,25)(H,23,24)(H,26,27)(H2,20,21,28)/t10-,11-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.19E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of yeast glyoxalase 1				J Med Chem 52: 4650-6 (2009) Article DOI: 10.1021/jm900382u BindingDB Entry DOI: 10.7270/Q2S46SWK
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Saccharomyces cerevisiae)	BDBM50195360 ((2S)-2-amino-3-[({[(1R)-1-[({[(4-bromophenyl)(hydr...) Show SMILES N[C@@H](CNC(=O)N[C@@H](CSC(=O)N(O)c1ccc(Br)cc1)C(=O)NCC(O)=O)C(O)=O Show InChI InChI=1S/C16H20BrN5O8S/c17-8-1-3-9(4-2-8)22(30)16(29)31-7-11(13(25)19-6-12(23)24)21-15(28)20-5-10(18)14(26)27/h1-4,10-11,30H,5-7,18H2,(H,19,25)(H,23,24)(H,26,27)(H2,20,21,28)/t10-,11-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.19E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of yeast glyoxalase1				Bioorg Med Chem Lett 16: 6039-42 (2006) Article DOI: 10.1016/j.bmcl.2006.08.121 BindingDB Entry DOI: 10.7270/Q2V987QT
					More data for this Ligand-Target Pair