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Literature summary for 3.4.23.22 extracted from

  • Mondal, M.; Radeva, N.; Fanlo-Virgos, H.; Otto, S.; Klebe, G.; Hirsch, A.K.
    Fragment linking and optimization of inhibitors of the aspartic protease endothiapepsin fragment-based drug design facilitated by dynamic combinatorial chemistry (2016), Angew. Chem. Int. Ed. Engl., 55, 9422-9426 .
    View publication on PubMedView publication on EuropePMC
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Inhibitors

Inhibitors Comment Organism Structure
(2R)-2-amino-N'-[(E)-(4-hydroxynaphthalen-1-yl)methylidene]-2-phenylacetohydrazide
-
 Cryphonectria parasitica
(2S)-2-amino-3-(1H-indol-3-yl)-N'-[(E)-(2,4,6-trimethylphenyl)methylidene]propanehydrazide
-
 Cryphonectria parasitica
N',N'''-((1E,1'E)-1,3-phenylenebis(methaneylylidene))bis(2-amino-3-(1H-indol-3-yl)propanehydrazide)
-
 Cryphonectria parasitica
rac-(2R,2'R)-N',N'''-((1E,1'E)-1,3-phenylenebis(methaneylylidene))bis(2-amino-3-phenylpropanehydrazide)
-
 Cryphonectria parasitica

Organism

Organism UniProt Comment Textmining
Cryphonectria parasitica P11838
-
-

Ki Value [mM]

Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
0.0000254
-
 N',N'''-((1E,1'E)-1,3-phenylenebis(methaneylylidene))bis(2-amino-3-(1H-indol-3-yl)propanehydrazide) pH and temperature not specified in the publication Cryphonectria parasitica
0.00098
-
 rac-(2R,2'R)-N',N'''-((1E,1'E)-1,3-phenylenebis(methaneylylidene))bis(2-amino-3-phenylpropanehydrazide) pH and temperature not specified in the publication Cryphonectria parasitica
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
0.007
-
 (2R)-2-amino-N'-[(E)-(4-hydroxynaphthalen-1-yl)methylidene]-2-phenylacetohydrazide pH and temperature not specified in the publication Cryphonectria parasitica

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.0000545
-
 pH and temperature not specified in the publication Cryphonectria parasitica N',N'''-((1E,1'E)-1,3-phenylenebis(methaneylylidene))bis(2-amino-3-(1H-indol-3-yl)propanehydrazide)
0.0021
-
 pH and temperature not specified in the publication Cryphonectria parasitica rac-(2R,2'R)-N',N'''-((1E,1'E)-1,3-phenylenebis(methaneylylidene))bis(2-amino-3-phenylpropanehydrazide)
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
0.0145
-
 pH and temperature not specified in the publication Cryphonectria parasitica (2R)-2-amino-N'-[(E)-(4-hydroxynaphthalen-1-yl)methylidene]-2-phenylacetohydrazide