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Literature summary for 3.4.21.73 extracted from
- Discovery of novel urokinase plasminogen activator (uPA) inhibitors using ligand-based modeling and virtual screening followed by in vitro analysis (2014), J. Mol. Model., 20, 2080.
Application
| Application | Comment | Organism |
|---|---|---|
| medicine | inhibition of the enzyme might be beneficial in treating cancer | Homo sapiens |
Inhibitors
| Inhibitors | Comment | Organism | Structure |
|---|---|---|---|
| 6-carbamimidoyl-N-phenyl-5,8-dihydronaphthalene-2-carboxamide | - |
Homo sapiens |  |
| 7-methoxy-8-[1-(methylsulfonyl)-1H-pyrazol-4-yl]naphthalene-2-carboximidamide | - |
Homo sapiens | |
| amiloride | - |
Homo sapiens | |
| additional information | enzyme inhibitor screening, genetic algorithm-based quantitative structure-activity relationship analysis to select the best possible combination of pharmacophoric models and physicochemical descriptors that can explain bioactivity variation within the training inhibitors, overview. At least three binding modes are accessible to ligands within the enzyme binding pocket | Homo sapiens | |
| N-[4-(aminomethyl)phenyl]-6-carbamimidoyl-4-(pyrimidin-2-ylamino)naphthalene-2-carboxamide | - |
Homo sapiens | |
| NCI004367 | - |
Homo sapiens | |
| NCI0135766 | - |
Homo sapiens | |
| NCI0144205 | - |
Homo sapiens | |
| NCI0666712 | - |
Homo sapiens | |
Organism
| Organism | UniProt | Comment | Textmining |
|---|---|---|---|
| Homo sapiens | P00749 | - |
- |
Substrates and Products (Substrate)
| Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
|---|---|---|---|---|---|---|
| L-diglutamyl-glycyl-L-arginine 4-nitroanilide + H2O | - |
Homo sapiens | L-diglutamyl-glycyl-L-arginine + 4-nitroaniline | - |
? | |
Synonyms
| Synonyms | Comment | Organism |
|---|---|---|
| uPA | - |
Homo sapiens |
| Urokinase plasminogen activator | - |
Homo sapiens |
Temperature Optimum [°C]
| Temperature Optimum [°C] | Temperature Optimum Maximum [°C] | Comment | Organism |
|---|---|---|---|
| 37 | - |
assay at | Homo sapiens |
pH Optimum
| pH Optimum Minimum | pH Optimum Maximum | Comment | Organism |
|---|---|---|---|
| 7.4 | - |
assay at | Homo sapiens |
Ki Value [mM]
| Ki Value [mM] | Ki Value maximum [mM] | Inhibitor | Comment | Organism | Structure |
|---|---|---|---|---|---|
| 0.0000006 | - |
N-[4-(aminomethyl)phenyl]-6-carbamimidoyl-4-(pyrimidin-2-ylamino)naphthalene-2-carboxamide | pH 7.4, 37°C | Homo sapiens | |
| 0.00063 | - |
7-methoxy-8-[1-(methylsulfonyl)-1H-pyrazol-4-yl]naphthalene-2-carboximidamide | pH 7.4, 37°C | Homo sapiens | |
IC50 Value
| IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
|---|---|---|---|---|---|
| 0.0063 | - |
pH 7.4, 37°C | Homo sapiens | NCI0135766 | |
| 0.009 | - |
pH 7.4, 37°C | Homo sapiens | NCI0666712 | |
| 0.0113 | - |
pH 7.4, 37°C | Homo sapiens | NCI004367 | |
| 0.0123 | - |
pH 7.4, 37°C | Homo sapiens | amiloride | |
| 0.0284 | - |
pH 7.4, 37°C | Homo sapiens | NCI0144205 | |
General Information
| General Information | Comment | Organism |
|---|---|---|
| physiological function | urokinase-type plasminogen activator is a serine protease that is implicated as a key mediator of cellular invasion and tissue remodeling, the enzyme is thought to play a central role in tumor metastasis and angiogenesis | Homo sapiens |
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