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Literature summary for 3.4.23.46 extracted from

  • Niu, Y.; Wang, Y.; Zou, X.; Yang, X.; Ma, C.; Lue, Y.; Zhou, B.; Yuan, Y.; Du, G.; Xu, P.
    Synthesis and preliminary evaluation of peptidomimetic inhibitors of human beta-secretase (2010), Eur. J. Med. Chem., 45, 2089-2094.
    View publication on PubMed

Inhibitors

Inhibitors Comment Organism Structure
(2R,4S,5S)-N-benzyl-4-hydroxy-2,7-dimethyl-5-[(N-[(2Z)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-L-seryl)amino]octanamide 16.45% inhibition at 0.01 mg/ml Homo sapiens
(2R,4S,5S)-N-benzyl-4-hydroxy-5-([N-[(4-methoxyphenyl)acetyl]-L-seryl]amino)-2,7-dimethyloctanamide 25.09% inhibition at 0.01 mg/ml Homo sapiens
N-(tert-butoxycarbonyl)-L-isoleucyl-N-[(4S,5S,7R)-5-hydroxy-2,7-dimethyl-8-[(2-methylpropyl)amino]-8-oxooctan-4-yl]-L-phenylalaninamide no inhibition at 0.01 mg/ml Homo sapiens
N-(tert-butoxycarbonyl)-L-isoleucyl-N-[(4S,5S,7R)-8-(benzylamino)-5-hydroxy-2,7-dimethyl-8-oxooctan-4-yl]-L-phenylalaninamide no inhibition at 0.01 mg/ml Homo sapiens
N-(tert-butoxycarbonyl)-L-leucyl-N-[(4S,5S,7R)-5-hydroxy-2,7-dimethyl-8-[(2-methylpropyl)amino]-8-oxooctan-4-yl]-L-phenylalaninamide 54.57% inhibition at 0.01 mg/ml Homo sapiens
N-(tert-butoxycarbonyl)-L-leucyl-N-[(4S,5S,7R)-8-(benzylamino)-5-hydroxy-2,7-dimethyl-8-oxooctan-4-yl]-L-phenylalaninamide 0.91% inhibition at 0.01 mg/ml Homo sapiens
N-(tert-butoxycarbonyl)-L-valyl-N-[(4S,5S,7R)-5-hydroxy-2,7-dimethyl-8-[(2-methylpropyl)amino]-8-oxooctan-4-yl]-L-phenylalaninamide no inhibition at 0.01 mg/ml Homo sapiens
N-(tert-butoxycarbonyl)-L-valyl-N-[(4S,5S,7R)-8-(benzylamino)-5-hydroxy-2,7-dimethyl-8-oxooctan-4-yl]-L-phenylalaninamide no inhibition at 0.01 mg/ml Homo sapiens
N-[(2S)-1-([(4S,5S,7R)-5-hydroxy-2,7-dimethyl-8-[(2-methylpropyl)amino]-8-oxooctan-4-yl]amino)-1-oxo-3-phenylpropan-2-yl]naphthalene-1-carboxamide no inhibition at 0.01 mg/ml Homo sapiens
N-[(2S)-1-([(4S,5S,7R)-5-hydroxy-2,7-dimethyl-8-[(2-methylpropyl)amino]-8-oxooctan-4-yl]amino)-3-(4-nitrophenyl)-1-oxopropan-2-yl]naphthalene-1-carboxamide no inhibition at 0.01 mg/ml Homo sapiens
N-[(4S,5S,7R)-5-hydroxy-2,7-dimethyl-8-[(2-methylpropyl)amino]-8-oxooctan-4-yl]-4-nitro-Nalpha-(4-nitrobenzoyl)-L-phenylalaninamide 10.48% inhibition at 0.01 mg/ml Homo sapiens
N-[(4S,5S,7R)-5-hydroxy-2,7-dimethyl-8-[(2-methylpropyl)amino]-8-oxooctan-4-yl]-4-nitro-Nalpha-[(2Z)-3-phenylprop-2-enoyl]-L-phenylalaninamide 37.22% inhibition at 0.01 mg/ml Homo sapiens
N-[(4S,5S,7R)-5-hydroxy-2,7-dimethyl-8-[(2-methylpropyl)amino]-8-oxooctan-4-yl]-4-nitro-Nalpha-[(2Z)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-L-phenylalaninamide 0.13% inhibition at 0.01 mg/ml Homo sapiens
N-[(4S,5S,7R)-5-hydroxy-2,7-dimethyl-8-[(2-methylpropyl)amino]-8-oxooctan-4-yl]-Nalpha-(4-nitrobenzoyl)-L-phenylalaninamide 1.47% inhibition at 0.01 mg/ml Homo sapiens
N-[(4S,5S,7R)-5-hydroxy-2,7-dimethyl-8-[(2-methylpropyl)amino]-8-oxooctan-4-yl]-Nalpha-[(2Z)-3-phenylprop-2-enoyl]-L-phenylalaninamide 22.83% inhibition at 0.01 mg/ml Homo sapiens
N-[(4S,5S,7R)-5-hydroxy-2,7-dimethyl-8-[(2-methylpropyl)amino]-8-oxooctan-4-yl]-Nalpha-[(2Z)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-L-phenylalaninamide 59.66% inhibition at 0.01 mg/ml Homo sapiens
N-[(4S,5S,7R)-8-(benzylamino)-5-hydroxy-2,7-dimethyl-8-oxooctan-4-yl]-Nalpha-(tert-butoxycarbonyl)-L-phenylalaninamide 22.96% inhibition at 0.01 mg/ml Homo sapiens
Nalpha-(1,3-benzodioxol-5-ylcarbonyl)-N-[(4S,5S,7R)-5-hydroxy-2,7-dimethyl-8-[(2-methylpropyl)amino]-8-oxooctan-4-yl]-4-nitro-L-phenylalaninamide 40.29% inhibition at 0.01 mg/ml Homo sapiens
Nalpha-(1,3-benzodioxol-5-ylcarbonyl)-N-[(4S,5S,7R)-5-hydroxy-2,7-dimethyl-8-[(2-methylpropyl)amino]-8-oxooctan-4-yl]-L-phenylalaninamide 16.2% inhibition at 0.01 mg/ml Homo sapiens
Nalpha-(2,4-dichlorobenzoyl)-N-[(4S,5S,7R)-5-hydroxy-2,7-dimethyl-8-[(2-methylpropyl)amino]-8-oxooctan-4-yl]-4-nitro-L-phenylalaninamide 22.23% inhibition at 0.01 mg/ml Homo sapiens
Nalpha-(2,4-dichlorobenzoyl)-N-[(4S,5S,7R)-5-hydroxy-2,7-dimethyl-8-[(2-methylpropyl)amino]-8-oxooctan-4-yl]-L-phenylalaninamide 20.26% inhibition at 0.01 mg/ml Homo sapiens
Nalpha-(3,4-dimethoxybenzoyl)-N-[(4S,5S,7R)-5-hydroxy-2,7-dimethyl-8-[(2-methylpropyl)amino]-8-oxooctan-4-yl]-4-nitro-L-phenylalaninamide 18.3% inhibition at 0.01 mg/ml Homo sapiens
Nalpha-(3,5-dinitrobenzoyl)-N-[(4S,5S,7R)-5-hydroxy-2,7-dimethyl-8-[(2-methylpropyl)amino]-8-oxooctan-4-yl]-4-nitro-L-phenylalaninamide 7.61% inhibition at 0.01 mg/ml Homo sapiens
Nalpha-(3,5-dinitrobenzoyl)-N-[(4S,5S,7R)-5-hydroxy-2,7-dimethyl-8-[(2-methylpropyl)amino]-8-oxooctan-4-yl]-L-phenylalaninamide 0.91% inhibition at 0.01 mg/ml Homo sapiens
Nalpha-(3-chlorobenzoyl)-N-[(4S,5S,7R)-5-hydroxy-2,7-dimethyl-8-[(2-methylpropyl)amino]-8-oxooctan-4-yl]-4-nitro-L-phenylalaninamide 25.66% inhibition at 0.01 mg/ml Homo sapiens
Nalpha-(3-chlorobenzoyl)-N-[(4S,5S,7R)-5-hydroxy-2,7-dimethyl-8-[(2-methylpropyl)amino]-8-oxooctan-4-yl]-L-phenylalaninamide 16.92% inhibition at 0.01 mg/ml Homo sapiens
Nalpha-(tert-butoxycarbonyl)-N-[(4S,5S,7R)-5-hydroxy-2,7-dimethyl-8-[(2-methylpropyl)amino]-8-oxooctan-4-yl]-4-nitro-L-phenylalaninamide 30.06% inhibition at 0.01 mg/ml Homo sapiens
Nalpha-(tert-butoxycarbonyl)-N-[(4S,5S,7R)-5-hydroxy-2,7-dimethyl-8-[(2-methylpropyl)amino]-8-oxooctan-4-yl]-L-phenylalaninamide 25.76% inhibition at 0.01 mg/ml Homo sapiens
Nalpha-benzoyl-N-[(4S,5S,7R)-5-hydroxy-2,7-dimethyl-8-[(2-methylpropyl)amino]-8-oxooctan-4-yl]-L-phenylalaninamide 11.2% inhibition at 0.01 mg/ml Homo sapiens
OM99-2
-
Homo sapiens
tert-butyl [(2S)-1-[[(4S,5S,7R)-8-(benzylamino)-5-hydroxy-2,7-dimethyl-8-oxooctan-4-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamate 50.53% inhibition at 0.01 mg/ml Homo sapiens
[(2R,4S,5S)-5-[N-(3,4-dimethoxy)benzoyl-L-phenylalanylamido]-4-hydroxy-2,7-dimethyloctan] N'-isobutyl amide 14.66% inhibition at 0.01 mg/ml Homo sapiens

Natural Substrates/ Products (Substrates)

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

Synonyms

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

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.00231
-
pH and temperature not specified in the publication Homo sapiens N-(tert-butoxycarbonyl)-L-leucyl-N-[(4S,5S,7R)-5-hydroxy-2,7-dimethyl-8-[(2-methylpropyl)amino]-8-oxooctan-4-yl]-L-phenylalaninamide
0.00264
-
pH and temperature not specified in the publication Homo sapiens N-[(4S,5S,7R)-5-hydroxy-2,7-dimethyl-8-[(2-methylpropyl)amino]-8-oxooctan-4-yl]-4-nitro-Nalpha-(4-nitrobenzoyl)-L-phenylalaninamide
0.00379
-
pH and temperature not specified in the publication Homo sapiens N-[(4S,5S,7R)-5-hydroxy-2,7-dimethyl-8-[(2-methylpropyl)amino]-8-oxooctan-4-yl]-4-nitro-Nalpha-[(2Z)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-L-phenylalaninamide
0.00381
-
pH and temperature not specified in the publication Homo sapiens Nalpha-(3,4-dimethoxybenzoyl)-N-[(4S,5S,7R)-5-hydroxy-2,7-dimethyl-8-[(2-methylpropyl)amino]-8-oxooctan-4-yl]-4-nitro-L-phenylalaninamide
0.00424
-
pH and temperature not specified in the publication Homo sapiens Nalpha-(2,4-dichlorobenzoyl)-N-[(4S,5S,7R)-5-hydroxy-2,7-dimethyl-8-[(2-methylpropyl)amino]-8-oxooctan-4-yl]-4-nitro-L-phenylalaninamide
0.00467
-
pH and temperature not specified in the publication Homo sapiens N-[(2S)-1-([(4S,5S,7R)-5-hydroxy-2,7-dimethyl-8-[(2-methylpropyl)amino]-8-oxooctan-4-yl]amino)-1-oxo-3-phenylpropan-2-yl]naphthalene-1-carboxamide
0.00693
-
pH and temperature not specified in the publication Homo sapiens Nalpha-benzoyl-N-[(4S,5S,7R)-5-hydroxy-2,7-dimethyl-8-[(2-methylpropyl)amino]-8-oxooctan-4-yl]-L-phenylalaninamide
0.00807
-
pH and temperature not specified in the publication Homo sapiens Nalpha-(1,3-benzodioxol-5-ylcarbonyl)-N-[(4S,5S,7R)-5-hydroxy-2,7-dimethyl-8-[(2-methylpropyl)amino]-8-oxooctan-4-yl]-L-phenylalaninamide
0.01573
-
pH and temperature not specified in the publication Homo sapiens N-[(4S,5S,7R)-5-hydroxy-2,7-dimethyl-8-[(2-methylpropyl)amino]-8-oxooctan-4-yl]-Nalpha-(4-nitrobenzoyl)-L-phenylalaninamide
0.01954
-
pH and temperature not specified in the publication Homo sapiens N-[(4S,5S,7R)-5-hydroxy-2,7-dimethyl-8-[(2-methylpropyl)amino]-8-oxooctan-4-yl]-Nalpha-[(2Z)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-L-phenylalaninamide