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Literature summary extracted from
- Structure-based discovery of inhibitors of microsomal prostaglandin E2 synthase-1, 5-lipoxygenase and 5-lipoxygenase-activating protein: promising hits for the development of new anti-inflammatory agents (2011), J. Med. Chem., 54, 1565-1575.
Inhibitors
| EC Number | Inhibitors | Comment | Organism | Structure |
|---|---|---|---|---|
| 5.3.99.3 | 1-[2-(2-methylphenyl)ethyl]-4-[2'-[(naphthalen-1-yloxy)methyl]biphenyl-4-yl]-1H-1,2,3-triazole | 90% residual activity at 0.03 mM | Homo sapiens |  |
| 5.3.99.3 | 3-[3-(tert-butylsulfanyl)-1-(4-chlorobenzyl)-5-(propan-2-yl)-1H-indol-2-yl]-2,2-dimethylpropanoic acid | 12% residual activity at 0.03 mM | Homo sapiens | |
| 5.3.99.3 | 4'-[1-(3-phenylpropyl)-1H-1,2,3-triazol-4-yl]biphenyl-4-ol | 73.6% residual activity at 0.03 mM | Homo sapiens | |
| 5.3.99.3 | 4'-[1-[(phenylsulfanyl)methyl]-1H-1,2,3-triazol-4-yl]biphenyl-3-ol | 60.1% residual activity at 0.03 mM | Homo sapiens | |
| 5.3.99.3 | 4'-[1-[(phenylsulfanyl)methyl]-1H-1,2,3-triazol-4-yl]biphenyl-4-ol | 89% residual activity at 0.03 mM | Homo sapiens | |
| 5.3.99.3 | 4'-[1-[2-(2-methylphenyl)ethyl]-1H-1,2,3-triazol-4-yl]biphenyl-4-amine | 98.2% residual activity at 0.03 mM | Homo sapiens | |
| 5.3.99.3 | 4-(2'-[[2-chloro-5-(trifluoromethyl)phenoxy]methyl]biphenyl-4-yl)-1-(3-phenylpropyl)-1H-1,2,3-triazole | 91.9% residual activity at 0.03 mM | Homo sapiens | |
| 5.3.99.3 | 4-(2'-[[2-chloro-5-(trifluoromethyl)phenoxy]methyl]biphenyl-4-yl)-1-[2-(2-methylphenyl)ethyl]-1H-1,2,3-triazole | 87.9% residual activity at 0.03 mM | Homo sapiens | |
| 5.3.99.3 | 4-(4'-phenoxybiphenyl-4-yl)-1-(3-phenylpropyl)-1H-1,2,3-triazole | 88.7% residual activity at 0.03 mM | Homo sapiens | |
| 5.3.99.3 | 4-[(4-[2'-[(naphthalen-1-yloxy)methyl]biphenyl-4-yl]-1H-1,2,3-triazol-1-yl)sulfonyl]benzoic acid | 59.8% residual activity at 0.03 mM | Homo sapiens | |
| 5.3.99.3 | 4-[2'-[(naphthalen-1-yloxy)methyl]biphenyl-4-yl]-1-(3-phenylpropyl)-1H-1,2,3-triazole | 96.8% residual activity at 0.03 mM | Homo sapiens | |
| 5.3.99.3 | 4-[4-(phenanthren-9-yl)phenyl]-1-(3-phenylpropyl)-1H-1,2,3-triazole | 78.2% residual activity at 0.03 mM | Homo sapiens | |
| 5.3.99.3 | 4-[4-benzyl-1-[(phenylsulfanyl)methyl]-1H-1,2,3-triazol-5-yl]benzaldehyde | 72.1% residual activity at 0.03 mM | Homo sapiens | |
| 5.3.99.3 | 4-[[4-(biphenyl-4-yl)-1H-1,2,3-triazol-1-yl]methyl]-3-nitrobenzoic acid | most efficient inhibitor of mPGES-1, 12% residual activity at 0.03 mM | Homo sapiens | |
| 5.3.99.3 | 5-(dimethylamino)-N-[4'-[1-(3-phenylpropyl)-1H-1,2,3-triazol-4-yl]biphenyl-4-yl]naphthalene-1-sulfonamide | 85% residual activity at 0.03 mM | Homo sapiens | |
| 5.3.99.3 | [1-[(phenylsulfanyl)methyl]-1H-1,2,3-triazol-4-yl]methyl benzoate | 76.1% residual activity at 0.03 mM | Homo sapiens | |
Localization
| EC Number | Localization | Comment | Organism | GeneOntology No. | Textmining |
|---|---|---|---|---|---|
| 5.3.99.3 | microsome | - |
Homo sapiens | - |
- |
Natural Substrates/ Products (Substrates)
| EC Number | Natural Substrates | Organism | Comment (Nat. Sub.) | Natural Products | Comment (Nat. Pro.) | Rev. | Reac. |
|---|---|---|---|---|---|---|---|
| 5.3.99.3 | Prostaglandin H2 | Homo sapiens | - |
Prostaglandin E2 | - |
? | |
Organism
| EC Number | Organism | UniProt | Comment | Textmining |
|---|---|---|---|---|
| 5.3.99.3 | Homo sapiens | - |
- |
- |
Source Tissue
| EC Number | Source Tissue | Comment | Organism | Textmining |
|---|---|---|---|---|
| 5.3.99.3 | A-549 cell | - |
Homo sapiens | - |
Substrates and Products (Substrate)
| EC Number | Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
|---|---|---|---|---|---|---|---|
| 5.3.99.3 | Prostaglandin H2 | - |
Homo sapiens | Prostaglandin E2 | - |
? | |
Synonyms
| EC Number | Synonyms | Comment | Organism |
|---|---|---|---|
| 5.3.99.3 | microsomal prostaglandin E synthase-1 | - |
Homo sapiens |
| 5.3.99.3 | mPGES-1 | - |
Homo sapiens |
IC50 Value
| EC Number | IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
|---|---|---|---|---|---|---|
| 5.3.99.3 | 0.0024 | - |
pH and temperature not specified in the publication | Homo sapiens | 3-[3-(tert-butylsulfanyl)-1-(4-chlorobenzyl)-5-(propan-2-yl)-1H-indol-2-yl]-2,2-dimethylpropanoic acid | |
| 5.3.99.3 | 0.0032 | - |
pH and temperature not specified in the publication | Homo sapiens | 4-[[4-(biphenyl-4-yl)-1H-1,2,3-triazol-1-yl]methyl]-3-nitrobenzoic acid | |
| 5.3.99.3 | 0.03 | - |
IC50 above 0.03 mM, pH and temperature not specified in the publication | Homo sapiens | 4'-[1-[(phenylsulfanyl)methyl]-1H-1,2,3-triazol-4-yl]biphenyl-4-ol | |
| 5.3.99.3 | 0.03 | - |
IC50 above 0.03 mM, pH and temperature not specified in the publication | Homo sapiens | 4'-[1-[(phenylsulfanyl)methyl]-1H-1,2,3-triazol-4-yl]biphenyl-3-ol | |
| 5.3.99.3 | 0.03 | - |
IC50 above 0.03 mM, pH and temperature not specified in the publication | Homo sapiens | 4-[4-(phenanthren-9-yl)phenyl]-1-(3-phenylpropyl)-1H-1,2,3-triazole | |
| 5.3.99.3 | 0.03 | - |
IC50 above 0.03 mM, pH and temperature not specified in the publication | Homo sapiens | [1-[(phenylsulfanyl)methyl]-1H-1,2,3-triazol-4-yl]methyl benzoate | |
| 5.3.99.3 | 0.03 | - |
IC50 above 0.03 mM, pH and temperature not specified in the publication | Homo sapiens | 4'-[1-(3-phenylpropyl)-1H-1,2,3-triazol-4-yl]biphenyl-4-ol | |
| 5.3.99.3 | 0.03 | - |
IC50 above 0.03 mM, pH and temperature not specified in the publication | Homo sapiens | 4-[2'-[(naphthalen-1-yloxy)methyl]biphenyl-4-yl]-1-(3-phenylpropyl)-1H-1,2,3-triazole | |
| 5.3.99.3 | 0.03 | - |
IC50 above 0.03 mM, pH and temperature not specified in the publication | Homo sapiens | 4-(2'-[[2-chloro-5-(trifluoromethyl)phenoxy]methyl]biphenyl-4-yl)-1-(3-phenylpropyl)-1H-1,2,3-triazole | |
| 5.3.99.3 | 0.03 | - |
IC50 above 0.03 mM, pH and temperature not specified in the publication | Homo sapiens | 4-(2'-[[2-chloro-5-(trifluoromethyl)phenoxy]methyl]biphenyl-4-yl)-1-[2-(2-methylphenyl)ethyl]-1H-1,2,3-triazole | |
| 5.3.99.3 | 0.03 | - |
IC50 above 0.03 mM, pH and temperature not specified in the publication | Homo sapiens | 4-[(4-[2'-[(naphthalen-1-yloxy)methyl]biphenyl-4-yl]-1H-1,2,3-triazol-1-yl)sulfonyl]benzoic acid | |
| 5.3.99.3 | 0.03 | - |
IC50 above 0.03 mM, pH and temperature not specified in the publication | Homo sapiens | 5-(dimethylamino)-N-[4'-[1-(3-phenylpropyl)-1H-1,2,3-triazol-4-yl]biphenyl-4-yl]naphthalene-1-sulfonamide | |
| 5.3.99.3 | 0.03 | - |
IC50 above 0.03 mM, pH and temperature not specified in the publication | Homo sapiens | 1-[2-(2-methylphenyl)ethyl]-4-[2'-[(naphthalen-1-yloxy)methyl]biphenyl-4-yl]-1H-1,2,3-triazole | |
| 5.3.99.3 | 0.03 | - |
IC50 above 0.03 mM, pH and temperature not specified in the publication | Homo sapiens | 4-[4-benzyl-1-[(phenylsulfanyl)methyl]-1H-1,2,3-triazol-5-yl]benzaldehyde | |
| 5.3.99.3 | 0.03 | - |
IC50 above 0.03 mM, pH and temperature not specified in the publication | Homo sapiens | 4'-[1-[2-(2-methylphenyl)ethyl]-1H-1,2,3-triazol-4-yl]biphenyl-4-amine | |
| 5.3.99.3 | 0.03 | - |
IC50 above 0.03 mM, pH and temperature not specified in the publication | Homo sapiens | 4-(4'-phenoxybiphenyl-4-yl)-1-(3-phenylpropyl)-1H-1,2,3-triazole | |
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