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Literature summary for 3.4.23.46 extracted from

  • Choi, S.J.; Cho, J.H.; Im, I.; Lee, S.D.; Jang, J.Y.; Oh, Y.M.; Jung, Y.K.; Jeon, E.S.; Kim, Y.C.
    Design and synthesis of 1,4-dihydropyridine derivatives as BACE-1 inhibitors (2010), Eur. J. Med. Chem., 45, 2578-2590.
    View publication on PubMed

Inhibitors

Inhibitors Comment Organism Structure
benzyl 1-(3-acetoxypropyl)-5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-2,4,6-trimethyl-1,4-dihydropyridine-3-carboxylate
-
Homo sapiens
benzyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-1-(2-(dimethylamino)-2-oxoethyl)-2,4,6-trimethyl-1,4-dihydropyridine-3-carboxylate
-
Homo sapiens
benzyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-1-(2-(isopropyl(methyl)amino)-2-oxoethyl)-2,4,6-trimethyl-1,4-dihydropyridine-3-carboxylate
-
Homo sapiens
benzyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-1-(2-ethoxy-2-oxoethyl)-2,4,6-trimethyl-1,4-dihydropyridine-3-carboxylate
-
Homo sapiens
benzyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-1-(2-isopropoxy-2-oxoethyl)-2,4,6-trimethyl-1,4-dihydropyridine-3-carboxylate
-
Homo sapiens
benzyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-1-(2-isopropoxy-2-oxoethyl)-2,4-dimethyl-1,4-dihydropyridine-3-carboxylate
-
Homo sapiens
benzyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-1-(2-methoxy-2-oxoethyl)-2,4,6-trimethyl-1,4-dihydropyridine-3-carboxylate
-
Homo sapiens
benzyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-2,4,6-trimethyl-1-(2-morpholino-2-oxoethyl)-1,4-dihydropyridine-3-carboxylate
-
Homo sapiens
benzyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-2,4,6-trimethyl-1-(methylsulfonyl)-1,4-dihydropyridine-3-carboxylate
-
Homo sapiens
benzyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-2,6-dimethyl-1-(methylsulfonyl)-4-phenyl-1,4-dihydropyridine-3-carboxylate
-
Homo sapiens
benzyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-2,6-dimethyl-1-(methylsulfonyl)-4-propyl-1,4-dihydropyridine-3-carboxylate
-
Homo sapiens
benzyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-4-ethyl-2,6-dimethyl-1-(methylsulfonyl)-1,4-dihydropyridine-3-carboxylate
-
Homo sapiens
benzyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-4-isopropyl-2,6-dimethyl-1-(methylsulfonyl)-1,4-dihydropyridine-3-carboxylate
-
Homo sapiens
isopropyl 2-(3-((2S,3R)-3-hydroxy-4-(3-methoxyphenylamino)-1-phenylbutan-2-ylcarbamoyl)-5-((R)-1-phenylethylcarbamoyl)-4-propylpyridin-1(4H)-yl)acetate
-
Homo sapiens
isopropyl 2-(3-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-4-methyl-5-((R)-1-phenylethylcarbamoyl)pyridin-1(4H)-yl) acetate
-
Homo sapiens
isopropyl 2-(3-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-5-((R)-1-phenylethylcarbamoyl)-4-propylpyridin-1(4H)-yl)acetate
-
Homo sapiens
isopropyl 2-(3-acetyl-5-((2S,3R)-3-hydroxy-4-(3-methoxybenzylamino)-1-phenyl butan-2-ylcarbamoyl)-2,6-dimethyl-4-propylpyridin-1(4H)-yl)acetate
-
Homo sapiens
isopropyl 2-(3-acetyl-5-((2S,3R)-3-hydroxy-4-(3-methoxybenzylamino)-1-phenylbutan-2-ylcarbamoyl)-2,4-dimethylpyridin-1(4H)-yl)acetate
-
Homo sapiens
isopropyl 2-(3-acetyl-5-((2S,3R)-3-hydroxy-4-(3-methoxyphenylamino)-1-phenylbutan-2-ylcarbamoyl)-2,6-dimethyl-4-propylpyridin-1(4H)-yl)acetate
-
Homo sapiens
isopropyl 2-(3-acetyl-5-((2S,3R)-4-(3-fluorophenylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-2,4,6-trimethylpyridin-1(4H)-yl)acetate
-
Homo sapiens
isopropyl 2-(3-acetyl-5-((2S,3R)-4-(3-fluorophenylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-2,4-dimethylpyridin-1(4H)-yl)acetate
-
Homo sapiens
isopropyl 2-(3-acetyl-5-((2S,3R)-4-(3-fluorophenylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-2,6-dimethyl-4-propylpyridin-1(4H)-yl)acetate
-
Homo sapiens
isopropyl 2-(3-acetyl-5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-2,4,6-trimethylpyridin-1(4H)-yl)acetate
-
Homo sapiens
isopropyl 2-(3-acetyl-5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-2,6-dimethyl-4-propylpyridin-1(4H)-yl)acetate
-
Homo sapiens
N3-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl)-2,4,6-trimethyl-1-(methylsulfonyl)-N5-((R)-1-phenylethyl)-1,4-dihydropyridine-3,5-dicarboxamide
-
Homo sapiens
N3-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl)-4-ethyl-2,6-dimethyl-1-(methylsulfonyl)-N5-((R)-1-phenylethyl)-1,4-dihydropyridine-3,5-dicarboxamide
-
Homo sapiens
tert-butyl 5-((2S,3R)-3-hydroxy-4-(3-methoxyphenylamino)-1-phenylbutan-2-ylcarbamoyl)-1-(2-isopropoxy-2-oxoethyl)-4-propyl-1,4-dihydropyridine-3-carboxylate
-
Homo sapiens
tert-butyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-1-(2-isopropoxy-2-oxoethyl)-4-methyl-1,4-dihydropyridine-3-carboxylate
-
Homo sapiens
tert-butyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-1-(2-isopropoxy-2-oxoethyl)-4-propyl-1,4-dihydropyridine-3-carboxylate
-
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
-
-
-

Source Tissue

Source Tissue Comment Organism Textmining
HEK-293 cell
-
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
beta-site APP cleaving enzyme
-
Homo sapiens

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.0081
-
pH and temperature not specified in the publication Homo sapiens benzyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-2,6-dimethyl-1-(methylsulfonyl)-4-propyl-1,4-dihydropyridine-3-carboxylate
0.009
-
pH and temperature not specified in the publication Homo sapiens benzyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-1-(2-isopropoxy-2-oxoethyl)-2,4,6-trimethyl-1,4-dihydropyridine-3-carboxylate
0.0095
-
pH and temperature not specified in the publication Homo sapiens benzyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-4-ethyl-2,6-dimethyl-1-(methylsulfonyl)-1,4-dihydropyridine-3-carboxylate
0.011
-
pH and temperature not specified in the publication Homo sapiens benzyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-4-isopropyl-2,6-dimethyl-1-(methylsulfonyl)-1,4-dihydropyridine-3-carboxylate
0.0149
-
pH and temperature not specified in the publication Homo sapiens benzyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-2,4,6-trimethyl-1-(methylsulfonyl)-1,4-dihydropyridine-3-carboxylate
0.0152
-
pH and temperature not specified in the publication Homo sapiens benzyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-1-(2-methoxy-2-oxoethyl)-2,4,6-trimethyl-1,4-dihydropyridine-3-carboxylate
0.0155
-
pH and temperature not specified in the publication Homo sapiens benzyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-1-(2-ethoxy-2-oxoethyl)-2,4,6-trimethyl-1,4-dihydropyridine-3-carboxylate
0.0161
-
pH and temperature not specified in the publication Homo sapiens N3-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl)-2,4,6-trimethyl-1-(methylsulfonyl)-N5-((R)-1-phenylethyl)-1,4-dihydropyridine-3,5-dicarboxamide
0.0161
-
pH and temperature not specified in the publication Homo sapiens benzyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-1-(2-isopropoxy-2-oxoethyl)-2,4-dimethyl-1,4-dihydropyridine-3-carboxylate
0.0162
-
pH and temperature not specified in the publication Homo sapiens N3-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl)-4-ethyl-2,6-dimethyl-1-(methylsulfonyl)-N5-((R)-1-phenylethyl)-1,4-dihydropyridine-3,5-dicarboxamide
0.0214
-
pH and temperature not specified in the publication Homo sapiens benzyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-2,6-dimethyl-1-(methylsulfonyl)-4-phenyl-1,4-dihydropyridine-3-carboxylate
0.0232
-
pH and temperature not specified in the publication Homo sapiens isopropyl 2-(3-acetyl-5-((2S,3R)-3-hydroxy-4-(3-methoxybenzylamino)-1-phenyl butan-2-ylcarbamoyl)-2,6-dimethyl-4-propylpyridin-1(4H)-yl)acetate
0.0246
-
pH and temperature not specified in the publication Homo sapiens tert-butyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-1-(2-isopropoxy-2-oxoethyl)-4-propyl-1,4-dihydropyridine-3-carboxylate
0.0261
-
pH and temperature not specified in the publication Homo sapiens isopropyl 2-(3-acetyl-5-((2S,3R)-3-hydroxy-4-(3-methoxybenzylamino)-1-phenylbutan-2-ylcarbamoyl)-2,4-dimethylpyridin-1(4H)-yl)acetate
0.0264
-
pH and temperature not specified in the publication Homo sapiens isopropyl 2-(3-acetyl-5-((2S,3R)-4-(3-fluorophenylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-2,4,6-trimethylpyridin-1(4H)-yl)acetate
0.0266
-
pH and temperature not specified in the publication Homo sapiens isopropyl 2-(3-acetyl-5-((2S,3R)-3-hydroxy-4-(3-methoxyphenylamino)-1-phenylbutan-2-ylcarbamoyl)-2,6-dimethyl-4-propylpyridin-1(4H)-yl)acetate
0.0269
-
pH and temperature not specified in the publication Homo sapiens benzyl 1-(3-acetoxypropyl)-5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-2,4,6-trimethyl-1,4-dihydropyridine-3-carboxylate
0.0271
-
pH and temperature not specified in the publication Homo sapiens isopropyl 2-(3-acetyl-5-((2S,3R)-4-(3-fluorophenylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-2,6-dimethyl-4-propylpyridin-1(4H)-yl)acetate
0.0282
-
pH and temperature not specified in the publication Homo sapiens benzyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-1-(2-(isopropyl(methyl)amino)-2-oxoethyl)-2,4,6-trimethyl-1,4-dihydropyridine-3-carboxylate
0.0284
-
pH and temperature not specified in the publication Homo sapiens benzyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-2,4,6-trimethyl-1-(2-morpholino-2-oxoethyl)-1,4-dihydropyridine-3-carboxylate
0.0293
-
pH and temperature not specified in the publication Homo sapiens isopropyl 2-(3-acetyl-5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-2,4,6-trimethylpyridin-1(4H)-yl)acetate
0.0293
-
pH and temperature not specified in the publication Homo sapiens isopropyl 2-(3-acetyl-5-((2S,3R)-4-(3-fluorophenylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-2,4-dimethylpyridin-1(4H)-yl)acetate
0.0296
-
pH and temperature not specified in the publication Homo sapiens isopropyl 2-(3-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-5-((R)-1-phenylethylcarbamoyl)-4-propylpyridin-1(4H)-yl)acetate
0.0304
-
pH and temperature not specified in the publication Homo sapiens tert-butyl 5-((2S,3R)-3-hydroxy-4-(3-methoxyphenylamino)-1-phenylbutan-2-ylcarbamoyl)-1-(2-isopropoxy-2-oxoethyl)-4-propyl-1,4-dihydropyridine-3-carboxylate
0.0312
-
pH and temperature not specified in the publication Homo sapiens isopropyl 2-(3-((2S,3R)-3-hydroxy-4-(3-methoxyphenylamino)-1-phenylbutan-2-ylcarbamoyl)-5-((R)-1-phenylethylcarbamoyl)-4-propylpyridin-1(4H)-yl)acetate
0.0319
-
pH and temperature not specified in the publication Homo sapiens tert-butyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-1-(2-isopropoxy-2-oxoethyl)-4-methyl-1,4-dihydropyridine-3-carboxylate
0.0328
-
pH and temperature not specified in the publication Homo sapiens isopropyl 2-(3-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-4-methyl-5-((R)-1-phenylethylcarbamoyl)pyridin-1(4H)-yl) acetate
0.0331
-
pH and temperature not specified in the publication Homo sapiens isopropyl 2-(3-acetyl-5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-2,6-dimethyl-4-propylpyridin-1(4H)-yl)acetate
0.0391
-
pH and temperature not specified in the publication Homo sapiens benzyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-1-(2-(dimethylamino)-2-oxoethyl)-2,4,6-trimethyl-1,4-dihydropyridine-3-carboxylate