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Literature summary for 3.4.21.73 extracted from

  • Heynekamp, J.J.; Hunsaker, L.A.; Vander Jagt, T.A.; Deck, L.M.; Vander Jagt, D.L.
    Uncharged isocoumarin-based inhibitors of urokinase-type plasminogen activator (2006), BMC Chem. Biol., 6, 1.
    View publication on PubMedView publication on EuropePMC

Application

Application Comment Organism
drug development the enzyme is an attractive target for the development of small molecule active site inhibitors Homo sapiens

Inhibitors

Inhibitors Comment Organism Structure
2-[2-(7-amino-4-chloro-1-oxo-1H-isochromen-3-yloxy)ethyl]isothiourea hydrobromide
-
Homo sapiens
2-[2-(7-benzamido-4-chloro-1-oxo-1H-isochromen-3-yloxy)ethyl]isothiourea hydrobromide
-
Homo sapiens
2-[3-(7-amino-4-chloro-1-oxo-1H-isochromen-3-yloxy)propyl]isothiourea hydrobromide
-
Homo sapiens
2-[3-(7-benzamido-4-chloro-1-oxo-1H-isochromen-3-yloxy]propyl)isothiourea hydrobromide
-
Homo sapiens
3-(2-bromoethoxy)-7-nitro-1H-isochromen-1-one
-
Homo sapiens
3-(3-bromopropoxy)-4-trifluoroacetyl-1H-isochromen-1-one
-
Homo sapiens
3-(3-bromopropoxy)-7-nitro-1H-isochromen-1-one
-
Homo sapiens
4-chloro-3-alkoxyisocoumarin competitive reversible inhibition Homo sapiens
7-amino-3-(2-bromoethoxy)-1H-isochromen-1-one
-
Homo sapiens
additional information development of potent uncharged inhibitors of uPA based upon the isocoumarin scaffold, bromine occupies the same position as positively charged arginino mimetic groups, structure activity relationships, inhibitor synthesis and molecular modeling, overview Homo sapiens
N-[3-(2-bromoethoxy)-4-chloro-1-oxo-1H-isochromen-7-yl]benzamide
-
Homo sapiens
N-[3-(3-bromopropoxy)-4-chloro-1-oxo-1H-isochromen-7-yl]benzamide competitive reversible inhibition mechanism, the bromine occupies the same position as positively charged arginino mimetic groups, molecular modeling Homo sapiens

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
additional information Homo sapiens the enzyme plays a major role in extracellular proteolytic events associated with tumor cell growth, migration and angiogenesis ?
-
?

Organism

Organism UniProt Comment Textmining
Homo sapiens
-
-
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
additional information the enzyme plays a major role in extracellular proteolytic events associated with tumor cell growth, migration and angiogenesis Homo sapiens ?
-
?
additional information structure activity relationship Homo sapiens ?
-
?

Synonyms

Synonyms Comment Organism
uPA
-
Homo sapiens
Urokinase-type plasminogen activator
-
Homo sapiens

Temperature Optimum [°C]

Temperature Optimum [°C] Temperature Optimum Maximum [°C] Comment Organism
25
-
assay at Homo sapiens

pH Optimum

pH Optimum Minimum pH Optimum Maximum Comment Organism
8.8
-
assay at Homo sapiens

Ki Value [mM]

Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
0.00001
-
2-[3-(7-benzamido-4-chloro-1-oxo-1H-isochromen-3-yloxy]propyl)isothiourea hydrobromide pH 8.8, 25°C Homo sapiens
0.00002
-
2-[2-(7-amino-4-chloro-1-oxo-1H-isochromen-3-yloxy)ethyl]isothiourea hydrobromide pH 8.8, 25°C Homo sapiens
0.000034
-
N-[3-(3-bromopropoxy)-4-chloro-1-oxo-1H-isochromen-7-yl]benzamide pH 8.8, 25°C Homo sapiens
0.000038
-
2-[3-(7-amino-4-chloro-1-oxo-1H-isochromen-3-yloxy)propyl]isothiourea hydrobromide pH 8.8, 25°C Homo sapiens
0.000084
-
2-[2-(7-benzamido-4-chloro-1-oxo-1H-isochromen-3-yloxy)ethyl]isothiourea hydrobromide pH 8.8, 25°C Homo sapiens
0.0014
-
N-[3-(2-bromoethoxy)-4-chloro-1-oxo-1H-isochromen-7-yl]benzamide pH 8.8, 25°C Homo sapiens
0.0042
-
3-(2-bromoethoxy)-7-nitro-1H-isochromen-1-one pH 8.8, 25°C Homo sapiens
0.0043
-
3-(3-bromopropoxy)-7-nitro-1H-isochromen-1-one pH 8.8, 25°C Homo sapiens
0.014
-
3-(3-bromopropoxy)-4-trifluoroacetyl-1H-isochromen-1-one pH 8.8, 25°C Homo sapiens
0.065
-
7-amino-3-(2-bromoethoxy)-1H-isochromen-1-one pH 8.8, 25°C Homo sapiens