Found 7 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Lactoylglutathione lyase
(Homo sapiens (Human)) | BDBM50067040
(((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-hept...)Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:12.11,5.4| Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3 | PDB
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| Article
PubMed
| 1.03E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-Sen University
Curated by ChEMBL
| Assay Description
Inhibition of human glyoxalase 1 |
Bioorg Med Chem Lett 21: 4243-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.095
BindingDB Entry DOI: 10.7270/Q23R0T76 |
More data for this
Ligand-Target Pair | |
Lactoylglutathione lyase
(Homo sapiens (Human)) | BDBM50059989
((1E,4Z,6E)-5-Hydroxy-1,7-bis-(4-hydroxy-phenyl)-he...)Show SMILES Oc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(O)cc2)cc1 |w:12.11,5.4| Show InChI InChI=1S/C19H16O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-12,20-21H,13H2 | PDB
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| Article
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| 1.82E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-Sen University
Curated by ChEMBL
| Assay Description
Inhibition of human glyoxalase 1 |
Bioorg Med Chem Lett 21: 4243-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.095
BindingDB Entry DOI: 10.7270/Q23R0T76 |
More data for this
Ligand-Target Pair | |
Lactoylglutathione lyase
(Homo sapiens (Human)) | BDBM17638
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23) | PDB
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| PDB
Article
PubMed
| 2.44E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-Sen University
Curated by ChEMBL
| Assay Description
Inhibition of human glyoxalase 1 |
Bioorg Med Chem Lett 21: 4243-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.095
BindingDB Entry DOI: 10.7270/Q23R0T76 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Lactoylglutathione lyase
(Homo sapiens (Human)) | BDBM50295287
(2-(1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl)ace...)Show InChI InChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18/h3-8H,9H2,1-2H3,(H,17,18) | PDB
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| 8.78E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-Sen University
Curated by ChEMBL
| Assay Description
Inhibition of human glyoxalase 1 |
Bioorg Med Chem Lett 21: 4243-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.095
BindingDB Entry DOI: 10.7270/Q23R0T76 |
More data for this
Ligand-Target Pair | |
Lactoylglutathione lyase
(Homo sapiens (Human)) | BDBM50027952
(5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acet...)Show InChI InChI=1S/C15H14ClNO3/c1-9-7-12(8-13(18)19)17(2)14(9)15(20)10-3-5-11(16)6-4-10/h3-7H,8H2,1-2H3,(H,18,19) | PDB
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| Article
PubMed
| 3.35E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-Sen University
Curated by ChEMBL
| Assay Description
Inhibition of human glyoxalase 1 |
Bioorg Med Chem Lett 21: 4243-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.095
BindingDB Entry DOI: 10.7270/Q23R0T76 |
More data for this
Ligand-Target Pair | |
Lactoylglutathione lyase
(Homo sapiens (Human)) | BDBM54705
(CHEMBL1297 | Fenoprofen | UNM-0000306101 | calcium...)Show InChI InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17) | PDB
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| 3.83E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-Sen University
Curated by ChEMBL
| Assay Description
Inhibition of human glyoxalase 1 |
Bioorg Med Chem Lett 21: 4243-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.095
BindingDB Entry DOI: 10.7270/Q23R0T76 |
More data for this
Ligand-Target Pair | |
Lactoylglutathione lyase
(Homo sapiens (Human)) | BDBM50022271
(2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...)Show InChI InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19) | PDB
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PC cid
PC sid
PDB
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| Article
PubMed
| 8.43E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-Sen University
Curated by ChEMBL
| Assay Description
Inhibition of human glyoxalase 1 |
Bioorg Med Chem Lett 21: 4243-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.095
BindingDB Entry DOI: 10.7270/Q23R0T76 |
More data for this
Ligand-Target Pair | |
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