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Literature summary for 3.1.3.48 extracted from

  • Sarabia-Sanchez, M.J.; Trejo-Soto, P.J.; Velazquez-Lopez, J.M.; Carvente-Garcia, C.; Castillo, R.; Hernandez-Campos, A.; Avitia-Dominguez, C.; Enriquez-Mendiola, D.; Sierra-Campos, E.; Valdez-Solana, M.; Salas-Pacheco, J.M.; Tellez-Valencia, A.
    Novel mixed-type inhibitors of protein tyrosine phosphatase 1B. Kinetic and computational studies (2017), Molecules, 22, 2262-2278 .
    View publication on PubMedView publication on EuropePMC
Search for more literature for 3.1.3.48

Inhibitors

Inhibitors Comment Organism Structure
1-(1,3-benzodioxol-5-yl)-2-([1-(4-hydroxyphenyl)-1H-1,2,3,4-tetraazol-5-yl]sulfanyl)-1-ethanone 88% inhibition at 0.2 mM Homo sapiens
2-[6-chloro-5-(1-naphthalyloxy)-1H-benzimidazol-2-yl]thio-N-(thiazol-2-yl)acetamide mixed-type inhibition, 99% inhibition at 0.2 mM Homo sapiens
4-(5-[5-(3,5-dichlorophenoxy)-2-furyl]-1,2,4-oxadiazol-3-yl)phenyl-N,N-dimethylsulfamate 85% inhibition at 0.2 mM Homo sapiens
5-chloro-2-[methyl(methylidene)-lambda4-sulfanyl]-6-[(naphthalen-2-yl)oxy]-1H-benzimidazole 65% inhibition at 0.2 mM Homo sapiens
5-chloro-N-[6-chloro-5-(2,3-dichlorophenoxy)-1H-benzimidazol-2-yl]-1-methyl-2-(methylthio)-1H-benz-imidazole-6-carboxamide mixed-type inhibition, complete inhibition at 0.2 mM Homo sapiens
additional information chemical library screening, kinetic and computational studies of mixed-type inhibitors of protein tyrosine phosphatase 1B, docking and molecular dynamic simulations studies, and enzyme interaction analysis, overview. For the inhibition assays, 4-nitrophenyl phosphate is used as enzyme substrate Homo sapiens
N-(3-chloro-4-fluorophenyl)-2-[(6,7-dimethoxy-4-oxo-3-phenyl-3,4-dihydro-2-quinazolinyl)sulfanyl]acetamide 80% inhibition at 0.2 mM Homo sapiens
N-(3-[(3,5-difluorobenzyl)oxy]pyridin-2-yl)-4-pentylbenzenesulfonamide 74% inhibition at 0.2 mM Homo sapiens
N-1-(2-[(2-oxo-4-propyl-2H-chromen-7-yl)oxy]propanoyl)-3-(trifluoromethyl)benzene-1-sulfonohydrazide 84% inhibition at 0.2 mM Homo sapiens
N-[6-chloro-5-(2,3-dichlorophenoxy)-1-methyl-1H-benzimidazol-2-yl]acetamide 70% inhibition at 0.2 mM Homo sapiens
N-[6-chloro-5-(2,3-dichlorophenoxy)-1H-benzimidazol-2-yl]-2,2,2-trifluoroacetamide mixed-type inhibition, 92% inhibition at 0.2 mM Homo sapiens

Organism

Organism UniProt Comment Textmining
Homo sapiens P18031
-
-

Synonyms

Synonyms Comment Organism
protein tyrosine phosphatase 1B
-
 Homo sapiens
PTP1B
-
 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
-
 assay at Homo sapiens

Ki Value [mM]

Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
0.0042
-
 2-[6-chloro-5-(1-naphthalyloxy)-1H-benzimidazol-2-yl]thio-N-(thiazol-2-yl)acetamide pH 7.0, 37°C Homo sapiens
0.0052
-
 5-chloro-N-[6-chloro-5-(2,3-dichlorophenoxy)-1H-benzimidazol-2-yl]-1-methyl-2-(methylthio)-1H-benz-imidazole-6-carboxamide pH 7.0, 37°C Homo sapiens
0.0413
-
 N-[6-chloro-5-(2,3-dichlorophenoxy)-1H-benzimidazol-2-yl]-2,2,2-trifluoroacetamide pH 7.0, 37°C Homo sapiens

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.0075
-
 pH 7.0, 37°C Homo sapiens 5-chloro-N-[6-chloro-5-(2,3-dichlorophenoxy)-1H-benzimidazol-2-yl]-1-methyl-2-(methylthio)-1H-benz-imidazole-6-carboxamide
0.0084
-
 pH 7.0, 37°C Homo sapiens 2-[6-chloro-5-(1-naphthalyloxy)-1H-benzimidazol-2-yl]thio-N-(thiazol-2-yl)acetamide
0.0313
-
 pH 7.0, 37°C Homo sapiens N-[6-chloro-5-(2,3-dichlorophenoxy)-1H-benzimidazol-2-yl]-2,2,2-trifluoroacetamide