BDBM50241121 (S)-5-((R)-3-(4-bromobenzylthio)-1-(carboxymethylamino)-1-oxopropan-2-ylamino)-2-amino-5-oxopentanoic acid::CHEMBL218644::S-p-bromobenzyl glutatione::S-p-bromobenzylglutathione

SMILES N[C@@H](CCC(=O)N[C@@H](CSCc1ccc(Br)cc1)C(=O)NCC(O)=O)C(O)=O

InChI Key InChIKey=HMNYAPVDRLKBJH-STQMWFEESA-N

Data  6 KI  5 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50241121   

TargetLactoylglutathione lyase(Human)
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50241121((S)-5-((R)-3-(4-bromobenzylthio)-1-(carboxymethyla...)
Affinity DataKi:  80nMAssay Description:Inhibition of GLO1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetLactoylglutathione lyase(Human)
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50241121((S)-5-((R)-3-(4-bromobenzylthio)-1-(carboxymethyla...)
Affinity DataKi:  170nMAssay Description:Inhibition of Glyoxalase-1 (unknown origin) using GSH and MGO as substrates preincubated with substrates for 6 mins followed by enzyme addition by sp...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetLactoylglutathione lyase(Human)
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50241121((S)-5-((R)-3-(4-bromobenzylthio)-1-(carboxymethyla...)
Affinity DataKi:  4.30E+3nMAssay Description:Compound was evaluated for inhibition of S. cerevisiae glyoxalase-I by using enzymatic assay at each of 6 substrate concentrations between 0.1 mM and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetLactoylglutathione lyase(Human)
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50241121((S)-5-((R)-3-(4-bromobenzylthio)-1-(carboxymethyla...)
Affinity DataKi:  4.47E+3nMAssay Description:Inhibition constant of compound against binding of Yeast Glyoxalase IMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetGlyoxalase I(Baker's yeast)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50241121((S)-5-((R)-3-(4-bromobenzylthio)-1-(carboxymethyla...)
Affinity DataKi:  6.28E+3nMAssay Description:Inhibition of yeast glyoxalase 1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetLactoylglutathione lyase(Human)
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50241121((S)-5-((R)-3-(4-bromobenzylthio)-1-(carboxymethyla...)
Affinity DataKi:  9.14E+3nMpH: 6.6Assay Description:Ability to inhibit yeast glyoxalase I enzyme in 0.05 M phosphate buffer, pH 6.6, 30 degree CMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetLactoylglutathione lyase(Human)
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50241121((S)-5-((R)-3-(4-bromobenzylthio)-1-(carboxymethyla...)
Affinity DataIC50:  1.20E+3nMAssay Description:Inhibition of human recombinant GLO1 expressed in Escherichia coli BL21 assessed as decrease in reduced glutathione level after 1 hr by Ellman's meth...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetLactoylglutathione lyase(Human)
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50241121((S)-5-((R)-3-(4-bromobenzylthio)-1-(carboxymethyla...)
Affinity DataIC50:  3.32E+4nMAssay Description:Inhibition of recombinant human His-tagged glyoxalase 1 expressed in Escherichia coli BL21 assessed as formation of S-D-lactoylglutathione after 5 mi...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetLactoylglutathione lyase(Human)
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50241121((S)-5-((R)-3-(4-bromobenzylthio)-1-(carboxymethyla...)
Affinity DataIC50:  3.32E+4nMAssay Description:Inhibition of human recombinant glyoxalase 1 assessed as S-D-lactoylglutathione after 15 mins by spectrophotometric analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetLactoylglutathione lyase(Human)
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50241121((S)-5-((R)-3-(4-bromobenzylthio)-1-(carboxymethyla...)
Affinity DataIC50:  2.30E+4nMAssay Description:Inhibition of human recombinant His-tagged Glyoxalase 1 expressed in Sf21-Baculovirus systemMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetLactoylglutathione lyase(Human)
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50241121((S)-5-((R)-3-(4-bromobenzylthio)-1-(carboxymethyla...)
Affinity DataIC50:  8.20E+3nMAssay Description:pA2 against human brain adenosine A1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed