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
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)) | BDBM50241121 ((S)-5-((R)-3-(4-bromobenzylthio)-1-(carboxymethyla...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Similars | Article PubMed | 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland Curated by ChEMBL | Assay Description Inhibition of GLO1 (unknown origin) | Bioorg Med Chem 22: 3301-8 (2014) Article DOI: 10.1016/j.bmc.2014.04.055 BindingDB Entry DOI: 10.7270/Q29025C5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glyoxalase I (Homo sapiens (Human)) | BDBM50241121 ((S)-5-((R)-3-(4-bromobenzylthio)-1-(carboxymethyla...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Similars | Article PubMed | 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University Curated by ChEMBL | Assay 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... | Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115243 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glyoxalase 1 (GLO1) (Homo sapiens (Human)) | BDBM50241121 ((S)-5-((R)-3-(4-bromobenzylthio)-1-(carboxymethyla...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Similars | PubMed | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Waterloo Curated by ChEMBL | Assay 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... | Bioorg Med Chem Lett 8: 705-10 (1999) BindingDB Entry DOI: 10.7270/Q2KH0MGS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glyoxalase I (Homo sapiens (Human)) | BDBM50241121 ((S)-5-((R)-3-(4-bromobenzylthio)-1-(carboxymethyla...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Similars | PubMed | 4.47E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uniroyal Chemical Co., Inc. Curated by ChEMBL | Assay Description Inhibition constant of compound against binding of Yeast Glyoxalase I | J Med Chem 31: 1396-406 (1988) BindingDB Entry DOI: 10.7270/Q2P55QQJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Lactoylglutathione lyase (Saccharomyces cerevisiae) | BDBM50241121 ((S)-5-((R)-3-(4-bromobenzylthio)-1-(carboxymethyla...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Similars | Article PubMed | 6.28E+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 | |||||||||||||
Glyoxalase 1 (GLO1) (Homo sapiens (Human)) | BDBM50241121 ((S)-5-((R)-3-(4-bromobenzylthio)-1-(carboxymethyla...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Similars | PubMed | 9.14E+3 | 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 | |||||||||||||
Glyoxalase 1 (GLO1) (Homo sapiens (Human)) | BDBM50241121 ((S)-5-((R)-3-(4-bromobenzylthio)-1-(carboxymethyla...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL | Assay 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... | Bioorg Med Chem Lett 22: 7486-9 (2012) Article DOI: 10.1016/j.bmcl.2012.10.045 BindingDB Entry DOI: 10.7270/Q2RX9D8Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glyoxalase 1 (GLO1) (Homo sapiens (Human)) | BDBM50241121 ((S)-5-((R)-3-(4-bromobenzylthio)-1-(carboxymethyla...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.32E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Tokyo University of Science Curated by ChEMBL | Assay Description Inhibition of recombinant human His-tagged glyoxalase 1 expressed in Escherichia coli BL21 assessed as formation of S-D-lactoylglutathione after 5 mi... | Bioorg Med Chem Lett 21: 4337-42 (2011) Article DOI: 10.1016/j.bmcl.2011.05.046 BindingDB Entry DOI: 10.7270/Q2WW7J38 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glyoxalase 1 (GLO1) (Homo sapiens (Human)) | BDBM50241121 ((S)-5-((R)-3-(4-bromobenzylthio)-1-(carboxymethyla...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.32E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Tokyo University of Science Curated by ChEMBL | Assay Description Inhibition of human recombinant glyoxalase 1 assessed as S-D-lactoylglutathione after 15 mins by spectrophotometric analysis | Bioorg Med Chem 18: 7029-33 (2010) Article DOI: 10.1016/j.bmc.2010.08.012 BindingDB Entry DOI: 10.7270/Q2PC32K6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glyoxalase 1 (GLO1) (Homo sapiens (Human)) | BDBM50241121 ((S)-5-((R)-3-(4-bromobenzylthio)-1-(carboxymethyla...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Tokyo University of Science Curated by ChEMBL | Assay Description Inhibition of human recombinant His-tagged Glyoxalase 1 expressed in Sf21-Baculovirus system | Bioorg Med Chem 16: 3969-75 (2008) Article DOI: 10.1016/j.bmc.2008.01.031 BindingDB Entry DOI: 10.7270/Q2Z037XF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glyoxalase I (Homo sapiens (Human)) | BDBM50241121 ((S)-5-((R)-3-(4-bromobenzylthio)-1-(carboxymethyla...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 8.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Waterloo Curated by ChEMBL | Assay Description pA2 against human brain adenosine A1 receptor | Bioorg Med Chem Lett 8: 705-10 (1999) BindingDB Entry DOI: 10.7270/Q2KH0MGS | |||||||||||
More data for this Ligand-Target Pair |