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Literature summary for 3.4.23.46 extracted from

  • Pandey, A.; Mungalpara, J.; Mohan, C.G.
    Comparative molecular field analysis and comparative molecular similarity indices analysis of hydroxyethylamine derivatives as selective human BACE-1 inhibitor (2010), Mol. Divers., 14, 39-49.
    View publication on PubMed

Inhibitors

Inhibitors Comment Organism Structure
3-(butylsulfonyl)-N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]-N2-(3,3,3-trifluoropropanoyl)-D-alaninamide
-
Homo sapiens
3-(butylsulfonyl)-N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]-N2-(methoxyacetyl)-D-alaninamide
-
Homo sapiens
3-(butylsulfonyl)-N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]-N2-(pyridin-3-ylacetyl)-D-alaninamide
-
Homo sapiens
3-(butylsulfonyl)-N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]-N2-(pyridin-4-ylacetyl)-D-alaninamide
-
Homo sapiens
3-(butylsulfonyl)-N2-(3-cyanopropanoyl)-N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]-D-alaninamide
-
Homo sapiens
3-(butylsulfonyl)-N2-(cyclopropylcarbonyl)-N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]-D-alaninamide
-
Homo sapiens
3-(cyclohexylsulfonyl)-N-[(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl]propanamide
-
Homo sapiens
3-(dibutylsulfamoyl)-N-[(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl]propanamide
-
Homo sapiens
3-(dipropylsulfamoyl)-N-[(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl]propanamide
-
Homo sapiens
3-(heptan-4-ylsulfonyl)-N-[(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl]propanamide
-
Homo sapiens
3-chloro-N-[(2R)-1-([1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]amino)-3-(heptan-4-ylsulfonyl)-1-oxopropan-2-yl]benzamide
-
Homo sapiens
4-(dipropylsulfamoyl)-N-[(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl]butanamide
-
Homo sapiens
benzyl [(2S)-1-([(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]amino)-3-(heptan-4-ylsulfonyl)-1-oxopropan-2-yl]carbamate
-
Homo sapiens
methyl [(2S)-1-([(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]amino)-3-(heptan-4-ylsulfonyl)-1-oxopropan-2-yl]carbamate
-
Homo sapiens
N'-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-iodobenzyl)amino]butan-2-yl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
-
Homo sapiens
N'-[(2S,3R)-3-hydroxy-4-[(3-iodobenzyl)amino]-1-phenylbutan-2-yl]-N,N-dipropylbenzene-1,3-dicarboxamide
-
Homo sapiens
N'-[(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl]-N,N-dipropylbenzene-1,3-dicarboxamide
-
Homo sapiens
N-acetyl-beta-alanyl-3-(butylsulfonyl)-N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]-D-alaninamide
-
Homo sapiens
N-[(2R)-1-([1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]amino)-3-(heptan-4-ylsulfonyl)-1-oxopropan-2-yl]-2-methylbenzamide
-
Homo sapiens
N-[(2R)-1-([1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]amino)-3-(heptan-4-ylsulfonyl)-1-oxopropan-2-yl]-3-hydroxybenzamide
-
Homo sapiens
N-[(2R)-1-([1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]amino)-3-(heptan-4-ylsulfonyl)-1-oxopropan-2-yl]-4-(trifluoromethyl)benzamide
-
Homo sapiens
N-[(2R)-1-([1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]amino)-3-(heptan-4-ylsulfonyl)-1-oxopropan-2-yl]-4-methoxybenzamide
-
Homo sapiens
N-[(2R)-1-([1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]amino)-3-(heptan-4-ylsulfonyl)-1-oxopropan-2-yl]-4-methylbenzamide
-
Homo sapiens
N-[(2R)-1-([1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]amino)-3-(heptan-4-ylsulfonyl)-1-oxopropan-2-yl]benzamide
-
Homo sapiens
N-[(2R)-1-([1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]amino)-3-(heptan-4-ylsulfonyl)-1-oxopropan-2-yl]pyridine-2-carboxamide
-
Homo sapiens
N-[(2S)-3-(butylsulfonyl)-1-([(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]amino)-1-oxopropan-2-yl]-1H-imidazole-2-carboxamide
-
Homo sapiens
N-[(2S)-3-(butylsulfonyl)-1-([(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]amino)-1-oxopropan-2-yl]-4-hydroxypyridine-3-carboxamide
-
Homo sapiens
N-[(2S)-3-(butylsulfonyl)-1-([(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]amino)-1-oxopropan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide
-
Homo sapiens
N-[(2S)-3-(butylsulfonyl)-1-([(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]amino)-1-oxopropan-2-yl]pyrazine-2-carboxamide
-
Homo sapiens
N-[(2S)-3-(butylsulfonyl)-1-([(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]amino)-1-oxopropan-2-yl]pyridine-3-carboxamide
-
Homo sapiens
N-[(2S)-3-(butylsulfonyl)-1-([(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]amino)-1-oxopropan-2-yl]pyridine-4-carboxamide
-
Homo sapiens
N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-iodobenzyl)amino]butan-2-yl]-3-methylbenzamide
-
Homo sapiens
N-[(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl]-3-(phenylsulfonyl)propanamide
-
Homo sapiens
N-[(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl]-3-(piperidin-1-ylsulfonyl)propanamide
-
Homo sapiens
N-[(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl]-3-[(3-methylbutyl)sulfamoyl]propanamide
-
Homo sapiens
N-[(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl]-3-[(3-methylbutyl)sulfonyl]propanamide
-
Homo sapiens
N-[(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl]-4-(phenylsulfonyl)butanamide
-
Homo sapiens
N-[(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl]-4-(piperidin-1-ylsulfonyl)butanamide
-
Homo sapiens
N2-acetyl-3-(butylsulfonyl)-N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]-D-alaninamide
-
Homo sapiens
pyridin-3-ylmethyl [(2S)-1-([(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]amino)-3-(heptan-4-ylsulfonyl)-1-oxopropan-2-yl]carbamate
-
Homo sapiens
pyridin-4-ylmethyl [(2S)-1-([(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]amino)-3-(heptan-4-ylsulfonyl)-1-oxopropan-2-yl]carbamate
-
Homo sapiens
S-(tetrahydrofuran-3-yl) [(2S)-3-(butylsulfonyl)-1-([(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]amino)-1-oxopropan-2-yl]carbamothioate
-
Homo sapiens

Organism

Organism UniProt Comment Textmining
Homo sapiens
-
-
-

Synonyms

Synonyms Comment Organism
BACE1
-
Homo sapiens

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.000001
-
pH and temperature not specified in the publication Homo sapiens N-[(2R)-1-([1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]amino)-3-(heptan-4-ylsulfonyl)-1-oxopropan-2-yl]pyridine-2-carboxamide
0.000002
-
pH and temperature not specified in the publication Homo sapiens N-[(2R)-1-([1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]amino)-3-(heptan-4-ylsulfonyl)-1-oxopropan-2-yl]benzamide
0.000002
-
pH and temperature not specified in the publication Homo sapiens N-[(2R)-1-([1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]amino)-3-(heptan-4-ylsulfonyl)-1-oxopropan-2-yl]-3-hydroxybenzamide
0.000002
-
pH and temperature not specified in the publication Homo sapiens N-[(2S)-3-(butylsulfonyl)-1-([(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]amino)-1-oxopropan-2-yl]pyridine-3-carboxamide
0.000002
-
pH and temperature not specified in the publication Homo sapiens N-[(2R)-1-([1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]amino)-3-(heptan-4-ylsulfonyl)-1-oxopropan-2-yl]-4-methoxybenzamide
0.000003
-
pH and temperature not specified in the publication Homo sapiens pyridin-4-ylmethyl [(2S)-1-([(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]amino)-3-(heptan-4-ylsulfonyl)-1-oxopropan-2-yl]carbamate
0.000003
-
pH and temperature not specified in the publication Homo sapiens benzyl [(2S)-1-([(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]amino)-3-(heptan-4-ylsulfonyl)-1-oxopropan-2-yl]carbamate
0.000003
-
pH and temperature not specified in the publication Homo sapiens methyl [(2S)-1-([(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]amino)-3-(heptan-4-ylsulfonyl)-1-oxopropan-2-yl]carbamate
0.000004
-
pH and temperature not specified in the publication Homo sapiens N2-acetyl-3-(butylsulfonyl)-N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]-D-alaninamide
0.000004
-
pH and temperature not specified in the publication Homo sapiens N-[(2S)-3-(butylsulfonyl)-1-([(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]amino)-1-oxopropan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide
0.000004
-
pH and temperature not specified in the publication Homo sapiens N-[(2R)-1-([1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]amino)-3-(heptan-4-ylsulfonyl)-1-oxopropan-2-yl]-4-methylbenzamide
0.000004
-
pH and temperature not specified in the publication Homo sapiens 3-(butylsulfonyl)-N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]-N2-(3,3,3-trifluoropropanoyl)-D-alaninamide
0.000004
-
pH and temperature not specified in the publication Homo sapiens pyridin-3-ylmethyl [(2S)-1-([(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]amino)-3-(heptan-4-ylsulfonyl)-1-oxopropan-2-yl]carbamate
0.000004
-
pH and temperature not specified in the publication Homo sapiens N-[(2S)-3-(butylsulfonyl)-1-([(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]amino)-1-oxopropan-2-yl]-1H-imidazole-2-carboxamide
0.000004
-
pH and temperature not specified in the publication Homo sapiens N-[(2S)-3-(butylsulfonyl)-1-([(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]amino)-1-oxopropan-2-yl]pyrazine-2-carboxamide
0.000005
-
pH and temperature not specified in the publication Homo sapiens N-[(2S)-3-(butylsulfonyl)-1-([(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]amino)-1-oxopropan-2-yl]-4-hydroxypyridine-3-carboxamide
0.000005
-
pH and temperature not specified in the publication Homo sapiens N'-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-iodobenzyl)amino]butan-2-yl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
0.000005
-
pH and temperature not specified in the publication Homo sapiens 3-chloro-N-[(2R)-1-([1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]amino)-3-(heptan-4-ylsulfonyl)-1-oxopropan-2-yl]benzamide
0.000005
-
pH and temperature not specified in the publication Homo sapiens N-[(2S)-3-(butylsulfonyl)-1-([(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]amino)-1-oxopropan-2-yl]pyridine-4-carboxamide
0.000008
-
pH and temperature not specified in the publication Homo sapiens 3-(butylsulfonyl)-N2-(3-cyanopropanoyl)-N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]-D-alaninamide
0.00001
-
pH and temperature not specified in the publication Homo sapiens 3-(butylsulfonyl)-N2-(cyclopropylcarbonyl)-N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]-D-alaninamide
0.00001
-
pH and temperature not specified in the publication Homo sapiens 3-(butylsulfonyl)-N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]-N2-(pyridin-3-ylacetyl)-D-alaninamide
0.000011
-
pH and temperature not specified in the publication Homo sapiens 3-(butylsulfonyl)-N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]-N2-(pyridin-4-ylacetyl)-D-alaninamide
0.000013
-
pH and temperature not specified in the publication Homo sapiens N2-acetyl-3-(butylsulfonyl)-N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]-D-alaninamide
0.000015
-
pH and temperature not specified in the publication Homo sapiens S-(tetrahydrofuran-3-yl) [(2S)-3-(butylsulfonyl)-1-([(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]amino)-1-oxopropan-2-yl]carbamothioate
0.000015
-
pH and temperature not specified in the publication Homo sapiens N-[(2R)-1-([1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]amino)-3-(heptan-4-ylsulfonyl)-1-oxopropan-2-yl]-2-methylbenzamide
0.000022
-
pH and temperature not specified in the publication Homo sapiens 3-(butylsulfonyl)-N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]-N2-(methoxyacetyl)-D-alaninamide
0.000027
-
pH and temperature not specified in the publication Homo sapiens N-acetyl-beta-alanyl-3-(butylsulfonyl)-N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]-D-alaninamide
0.000053
-
pH and temperature not specified in the publication Homo sapiens N-[(2R)-1-([1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]amino)-3-(heptan-4-ylsulfonyl)-1-oxopropan-2-yl]-4-(trifluoromethyl)benzamide
0.00031
-
pH and temperature not specified in the publication Homo sapiens N'-[(2S,3R)-3-hydroxy-4-[(3-iodobenzyl)amino]-1-phenylbutan-2-yl]-N,N-dipropylbenzene-1,3-dicarboxamide
0.000484
-
pH and temperature not specified in the publication Homo sapiens 3-(dibutylsulfamoyl)-N-[(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl]propanamide
0.0005
-
pH and temperature not specified in the publication Homo sapiens N'-[(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl]-N,N-dipropylbenzene-1,3-dicarboxamide
0.000596
-
pH and temperature not specified in the publication Homo sapiens 3-(heptan-4-ylsulfonyl)-N-[(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl]propanamide
0.00109
-
pH and temperature not specified in the publication Homo sapiens 3-(dipropylsulfamoyl)-N-[(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl]propanamide
0.00367
-
pH and temperature not specified in the publication Homo sapiens 3-(cyclohexylsulfonyl)-N-[(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl]propanamide
0.003785
-
pH and temperature not specified in the publication Homo sapiens N-[(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl]-3-(piperidin-1-ylsulfonyl)propanamide
0.0041
-
pH and temperature not specified in the publication Homo sapiens N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-iodobenzyl)amino]butan-2-yl]-3-methylbenzamide
0.004131
-
pH and temperature not specified in the publication Homo sapiens N-[(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl]-4-(phenylsulfonyl)butanamide
0.005015
-
pH and temperature not specified in the publication Homo sapiens N-[(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl]-3-[(3-methylbutyl)sulfamoyl]propanamide
0.005214
-
pH and temperature not specified in the publication Homo sapiens N-[(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl]-3-(phenylsulfonyl)propanamide
0.005614
-
pH and temperature not specified in the publication Homo sapiens N-[(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl]-3-[(3-methylbutyl)sulfonyl]propanamide
0.006461
-
pH and temperature not specified in the publication Homo sapiens N-[(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl]-4-(piperidin-1-ylsulfonyl)butanamide
0.00795
-
pH and temperature not specified in the publication Homo sapiens 4-(dipropylsulfamoyl)-N-[(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl]butanamide