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PubMed code 903914

Compile data set for download or QSAR
Found 7 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Lactoylglutathione lyase


(Homo sapiens (Human))
BDBM50016878
PNG
(CHEMBL3277441)
Show SMILES CC(O)C(=O)SCc1ccccc1
Show InChI InChI=1S/C10H12O2S/c1-8(11)10(12)13-7-9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3
PDB

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5.50E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of glyoxalase-1 (unknown origin) using methylglyoxal and glutathione as substrate by Lineweaver-Burk plot analysis


J Med Chem 20: 1239-42 (1977)


BindingDB Entry DOI: 10.7270/Q21G0NTC
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))
BDBM50016880
PNG
(CHEMBL3277443)
Show SMILES OC(C(=O)SCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H14O2S/c16-14(13-9-5-2-6-10-13)15(17)18-11-12-7-3-1-4-8-12/h1-10,14,16H,11H2
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6.30E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of glyoxalase-1 (unknown origin) using methylglyoxal and glutathione as substrate by Lineweaver-Burk plot analysis


J Med Chem 20: 1239-42 (1977)


BindingDB Entry DOI: 10.7270/Q21G0NTC
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))
BDBM50016889
PNG
(CHEMBL3277444)
Show SMILES COC(=O)CSC(=O)C(O)c1ccccc1
Show InChI InChI=1S/C11H12O4S/c1-15-9(12)7-16-11(14)10(13)8-5-3-2-4-6-8/h2-6,10,13H,7H2,1H3
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PubMed
8.20E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of glyoxalase-1 (unknown origin) using methylglyoxal and glutathione as substrate by Lineweaver-Burk plot analysis


J Med Chem 20: 1239-42 (1977)


BindingDB Entry DOI: 10.7270/Q21G0NTC
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))
BDBM50016877
PNG
(CHEMBL3277440)
Show SMILES CCCCSC(=O)C(C)O
Show InChI InChI=1S/C7H14O2S/c1-3-4-5-10-7(9)6(2)8/h6,8H,3-5H2,1-2H3
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1.29E+7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of glyoxalase-1 (unknown origin) using methylglyoxal and glutathione as substrate by Lineweaver-Burk plot analysis


J Med Chem 20: 1239-42 (1977)


BindingDB Entry DOI: 10.7270/Q21G0NTC
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))
BDBM50016879
PNG
(CHEMBL3277442)
Show SMILES CCCCSC(=O)C(O)c1ccccc1
Show InChI InChI=1S/C12H16O2S/c1-2-3-9-15-12(14)11(13)10-7-5-4-6-8-10/h4-8,11,13H,2-3,9H2,1H3
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2.96E+7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of glyoxalase-1 (unknown origin) using methylglyoxal and glutathione as substrate by Lineweaver-Burk plot analysis


J Med Chem 20: 1239-42 (1977)


BindingDB Entry DOI: 10.7270/Q21G0NTC
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))
BDBM50016893
PNG
(CHEMBL3277445)
Show SMILES CCCCOC(=O)CSC(=O)C(O)c1ccccc1
Show InChI InChI=1S/C14H18O4S/c1-2-3-9-18-12(15)10-19-14(17)13(16)11-7-5-4-6-8-11/h4-8,13,16H,2-3,9-10H2,1H3
PDB

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3.47E+7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of glyoxalase-1 (unknown origin) using methylglyoxal and glutathione as substrate by Lineweaver-Burk plot analysis


J Med Chem 20: 1239-42 (1977)


BindingDB Entry DOI: 10.7270/Q21G0NTC
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))
BDBM50016896
PNG
(CHEMBL3277446)
Show SMILES COC(=O)CCSC(=O)C(O)c1ccccc1
Show InChI InChI=1S/C12H14O4S/c1-16-10(13)7-8-17-12(15)11(14)9-5-3-2-4-6-9/h2-6,11,14H,7-8H2,1H3
PDB

UniProtKB/SwissProt

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PubMed
3.86E+7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of glyoxalase-1 (unknown origin) using methylglyoxal and glutathione as substrate by Lineweaver-Burk plot analysis


J Med Chem 20: 1239-42 (1977)


BindingDB Entry DOI: 10.7270/Q21G0NTC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%