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Literature summary for 3.4.23.46 extracted from

  • Hanessian, S.; Shao, Z.; Betschart, C.; Rondeau, J.M.; Neumann, U.; Tintelnot-Blomley, M.
    Structure-based design and synthesis of novel P2/P3 modified, non-peptidic beta-secretase (BACE-1) inhibitors (2010), Bioorg. Med. Chem. Lett., 20, 1924-1927.
    View publication on PubMed

Inhibitors

Inhibitors Comment Organism Structure
(1R,3S)-3-[(1S)-1-(acetylamino)-2-methylpropyl]-N-[(2S,3S,5R)-6-(butylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]cyclohexanecarboxamide
-
Homo sapiens
(1R,3S)-3-[(1S)-1-(acetylamino)-3-methylbutyl]-N-[(2S,3S,5R)-6-(butylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]cyclohexanecarboxamide 11% inhibition at 0.01 mM Homo sapiens
(1R,3S)-3-[(1S)-1-(acetylamino)butyl]-N-[(2S,3S,5R)-6-(butylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]cyclohexanecarboxamide 15% inhibition at 0.01 mM Homo sapiens
(1R,3S)-3-[(1S)-1-(acetylamino)ethyl]-N-[(2S,3S,5R)-6-(butylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]cyclohexanecarboxamide 8% inhibition at 0.01 mM Homo sapiens
(1R,3S)-3-[(1S)-1-(acetylamino)propyl]-N-[(2S,3S,5R)-6-(butylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]cyclohexanecarboxamide 17% inhibition at 0.01 mM Homo sapiens
(1R,3S)-3-[1-(acetylamino)-3-methylbutyl]-N-[(2S,3S,5R)-6-(butylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]cyclohexanecarboxamide 42% inhibition at 0.01 mM Homo sapiens
(1R,3S)-3-[1-(acetylamino)butyl]-N-[(2S,3S,5R)-6-(butylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]cyclohexanecarboxamide 80% inhibition at 0.01 mM Homo sapiens
(1R,3S)-3-[1-(acetylamino)cyclopentyl]-N-[(2S,3S,5R)-6-(butylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]cyclohexanecarboxamide
-
Homo sapiens
(1R,3S)-3-[1-(acetylamino)ethyl]-N-[(2S,3S,5R)-6-(butylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]cyclohexanecarboxamide 14% inhibition at 0.01 mM Homo sapiens
(1R,3S)-3-[1-(acetylamino)propyl]-N-[(2S,3S,5R)-6-(butylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]cyclohexanecarboxamide 24% inhibition at 0.01 mM Homo sapiens
(1R,3S)-3-[2-(acetylamino)propan-2-yl]-N-[(2S,3S)-3-hydroxy-1-phenyl-4-[[3-(propan-2-yl)benzyl]amino]butan-2-yl]cyclohexanecarboxamide
-
Homo sapiens
(1R,3S)-3-[2-(acetylamino)propan-2-yl]-N-[(2S,3S,5R)-6-(butylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]cyclohexanecarboxamide
-
Homo sapiens
(1R,3S)-N-[(2S,3S)-3-hydroxy-1-phenyl-4-[[3-(propan-2-yl)benzyl]amino]butan-2-yl]-3-[2-(2-oxopiperidin-1-yl)propan-2-yl]cyclohexanecarboxamide
-
Homo sapiens
(1R,3S)-N-[(2S,3S)-3-hydroxy-1-phenyl-4-[[3-(propan-2-yl)benzyl]amino]butan-2-yl]-3-[2-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclohexanecarboxamide
-
Homo sapiens
(1R,3S)-N-[(2S,3S)-3-hydroxy-1-phenyl-4-[[3-(propan-2-yl)benzyl]amino]butan-2-yl]-3-[2-(propanoylamino)propan-2-yl]cyclohexanecarboxamide
-
Homo sapiens
(1R,3S)-N-[(2S,3S)-3-hydroxy-1-phenyl-4-[[3-(propan-2-yl)benzyl]amino]butan-2-yl]-3-[2-[methyl(propanoyl)amino]propan-2-yl]cyclohexanecarboxamide
-
Homo sapiens
N-acetyl-L-alanyl-N-[(4S,5S,7R)-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxooctan-4-yl]-L-methioninamide
-
Homo sapiens
N-acetyl-L-leucyl-N-[(4S,5S,7R)-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxooctan-4-yl]-L-alaninamide
-
Homo sapiens
N-acetyl-L-leucyl-N-[(4S,5S,7R)-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxooctan-4-yl]-L-methioninamide
-
Homo sapiens
N-acetyl-L-valyl-N-[(4S,5S,7R)-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxooctan-4-yl]-L-methioninamide
-
Homo sapiens

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
beta-amyloid precursor protein + H2O Homo sapiens
-
fragments of amyloid precursor protein
-
?

Organism

Organism UniProt Comment Textmining
Homo sapiens
-
-
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
beta-amyloid precursor protein + H2O
-
Homo sapiens fragments of amyloid precursor protein
-
?

Synonyms

Synonyms Comment Organism
BACE-1
-
Homo sapiens
BACE-2
-
Homo sapiens
beta-secretase
-
Homo sapiens

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.0000025
-
pH and temperature not specified in the publication Homo sapiens (1R,3S)-N-[(2S,3S)-3-hydroxy-1-phenyl-4-[[3-(propan-2-yl)benzyl]amino]butan-2-yl]-3-[2-(2-oxopiperidin-1-yl)propan-2-yl]cyclohexanecarboxamide
0.000025
-
pH and temperature not specified in the publication Homo sapiens (1R,3S)-N-[(2S,3S)-3-hydroxy-1-phenyl-4-[[3-(propan-2-yl)benzyl]amino]butan-2-yl]-3-[2-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclohexanecarboxamide
0.000053
-
pH and temperature not specified in the publication Homo sapiens N-acetyl-L-leucyl-N-[(4S,5S,7R)-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxooctan-4-yl]-L-methioninamide
0.00012
-
pH and temperature not specified in the publication Homo sapiens N-acetyl-L-leucyl-N-[(4S,5S,7R)-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxooctan-4-yl]-L-alaninamide
0.00014
-
pH and temperature not specified in the publication Homo sapiens (1R,3S)-N-[(2S,3S)-3-hydroxy-1-phenyl-4-[[3-(propan-2-yl)benzyl]amino]butan-2-yl]-3-[2-(2-oxopiperidin-1-yl)propan-2-yl]cyclohexanecarboxamide
0.00015
-
pH and temperature not specified in the publication Homo sapiens (1R,3S)-N-[(2S,3S)-3-hydroxy-1-phenyl-4-[[3-(propan-2-yl)benzyl]amino]butan-2-yl]-3-[2-[methyl(propanoyl)amino]propan-2-yl]cyclohexanecarboxamide
0.00017
-
pH and temperature not specified in the publication Homo sapiens (1R,3S)-3-[(1S)-1-(acetylamino)-2-methylpropyl]-N-[(2S,3S,5R)-6-(butylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]cyclohexanecarboxamide
0.0002
-
pH and temperature not specified in the publication Homo sapiens (1R,3S)-N-[(2S,3S)-3-hydroxy-1-phenyl-4-[[3-(propan-2-yl)benzyl]amino]butan-2-yl]-3-[2-[methyl(propanoyl)amino]propan-2-yl]cyclohexanecarboxamide
0.00037
-
pH and temperature not specified in the publication Homo sapiens (1R,3S)-3-[2-(acetylamino)propan-2-yl]-N-[(2S,3S,5R)-6-(butylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]cyclohexanecarboxamide
0.00037
-
pH and temperature not specified in the publication Homo sapiens N-acetyl-L-valyl-N-[(4S,5S,7R)-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxooctan-4-yl]-L-methioninamide
0.00058
-
pH and temperature not specified in the publication Homo sapiens (1R,3S)-N-[(2S,3S)-3-hydroxy-1-phenyl-4-[[3-(propan-2-yl)benzyl]amino]butan-2-yl]-3-[2-(propanoylamino)propan-2-yl]cyclohexanecarboxamide
0.0008
-
pH and temperature not specified in the publication Homo sapiens (1R,3S)-3-[(1S)-1-(acetylamino)-2-methylpropyl]-N-[(2S,3S,5R)-6-(butylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]cyclohexanecarboxamide
0.00096
-
pH and temperature not specified in the publication Homo sapiens (1R,3S)-N-[(2S,3S)-3-hydroxy-1-phenyl-4-[[3-(propan-2-yl)benzyl]amino]butan-2-yl]-3-[2-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclohexanecarboxamide
0.0015
-
pH and temperature not specified in the publication Homo sapiens (1R,3S)-3-[1-(acetylamino)cyclopentyl]-N-[(2S,3S,5R)-6-(butylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]cyclohexanecarboxamide
0.0027
-
pH and temperature not specified in the publication Homo sapiens (1R,3S)-3-[1-(acetylamino)cyclopentyl]-N-[(2S,3S,5R)-6-(butylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]cyclohexanecarboxamide
0.0037
-
pH and temperature not specified in the publication Homo sapiens (1R,3S)-3-[2-(acetylamino)propan-2-yl]-N-[(2S,3S,5R)-6-(butylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]cyclohexanecarboxamide
0.0037
-
pH and temperature not specified in the publication Homo sapiens (1R,3S)-N-[(2S,3S)-3-hydroxy-1-phenyl-4-[[3-(propan-2-yl)benzyl]amino]butan-2-yl]-3-[2-(propanoylamino)propan-2-yl]cyclohexanecarboxamide
0.0038
-
pH and temperature not specified in the publication Homo sapiens (1R,3S)-3-[2-(acetylamino)propan-2-yl]-N-[(2S,3S)-3-hydroxy-1-phenyl-4-[[3-(propan-2-yl)benzyl]amino]butan-2-yl]cyclohexanecarboxamide
0.004
-
pH and temperature not specified in the publication Homo sapiens N-acetyl-L-alanyl-N-[(4S,5S,7R)-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxooctan-4-yl]-L-methioninamide
0.0042
-
pH and temperature not specified in the publication Homo sapiens (1R,3S)-3-[2-(acetylamino)propan-2-yl]-N-[(2S,3S)-3-hydroxy-1-phenyl-4-[[3-(propan-2-yl)benzyl]amino]butan-2-yl]cyclohexanecarboxamide