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Literature summary for 3.4.23.22 extracted from

  • Jumde, V.R.; Mondal, M.; Gierse, R.M.; Unver, M.Y.; Magari, F.; van Lier, R.C.W.; Heine, A.; Klebe, G.; Hirsch, A.K.H.
    Design and synthesis of bioisosteres of acylhydrazones as stable inhibitors of the aspartic protease endothiapepsin (2018), ChemMedChem, 13, 2266-2270 .
    View publication on PubMedView publication on EuropePMC

Inhibitors

Inhibitors Comment Organism Structure
(1S)-2-(1H-indol-3-yl)-1-[5-(2,4,6-trimethylbenzyl)-1,3-thiazol-2-yl]ethanamine
-
Cryphonectria parasitica
(2S)-2-amino-3-(1H-indol-3-yl)-N'-[(E)-(2,4,6-trimethylphenyl)methylidene]propanehydrazide
-
Cryphonectria parasitica
2-(2,4,6-trimethylphenyl)ethyl L-tryptophanate
-
Cryphonectria parasitica
N-[2-(2,4,6-trimethylphenyl)ethyl]-L-tryptophanamide
-
Cryphonectria parasitica

Organism

Organism UniProt Comment Textmining
Cryphonectria parasitica P11838
-
-

Ki Value [mM]

Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
0.006
-
(2S)-2-amino-3-(1H-indol-3-yl)-N'-[(E)-(2,4,6-trimethylphenyl)methylidene]propanehydrazide pH and temperature not specified in the publication Cryphonectria parasitica
0.0061
-
N-[2-(2,4,6-trimethylphenyl)ethyl]-L-tryptophanamide pH and temperature not specified in the publication Cryphonectria parasitica
0.0135
-
2-(2,4,6-trimethylphenyl)ethyl L-tryptophanate pH and temperature not specified in the publication Cryphonectria parasitica
0.0912
-
(1S)-2-(1H-indol-3-yl)-1-[5-(2,4,6-trimethylbenzyl)-1,3-thiazol-2-yl]ethanamine pH and temperature not specified in the publication Cryphonectria parasitica

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.0128
-
pH and temperature not specified in the publication Cryphonectria parasitica (2S)-2-amino-3-(1H-indol-3-yl)-N'-[(E)-(2,4,6-trimethylphenyl)methylidene]propanehydrazide
0.0129
-
pH and temperature not specified in the publication Cryphonectria parasitica N-[2-(2,4,6-trimethylphenyl)ethyl]-L-tryptophanamide
0.0287
-
pH and temperature not specified in the publication Cryphonectria parasitica 2-(2,4,6-trimethylphenyl)ethyl L-tryptophanate
0.1937
-
pH and temperature not specified in the publication Cryphonectria parasitica (1S)-2-(1H-indol-3-yl)-1-[5-(2,4,6-trimethylbenzyl)-1,3-thiazol-2-yl]ethanamine