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(+)-canadaline
41.02% inhibition at 0.005 mM
(+)-corynoline
21.91% inhibition at 0.005 mM
(+)-N-((4S,4aS,6S,8aR)-10-amino-4,4a,5,6,7,8-hexahydro-1H,3H-4,8a-(epithiomethenoazeno)isochromen-6-yl)-3-chlorobenzamide
-
(+/-)-corycavidine
26.87% inhibition at 0.005 mM
(-)-corycavamine
34.4% inhibition at 0.005 mM
(-)-gallocatechin gallate
-
less potent inhibitor
(-)-isocorypalmine
26.68% inhibition at 0.005 mM
(-)-scoulerine
24.34% inhibition at 0.005 mM
(13S)-15-amino-10,13-dicyclohexyl-19-fluoro-2-oxa-10,14,16-triazatetracyclo[12.5.3.1(3,7).0(17,21)]tricosa-1(19),3(23),4,6,15,17,20-heptaen-11-one
-
-
(13S)-15-amino-10,13-dicyclohexyl-19-methoxy-2-oxa-10,14,16-triazatetracyclo[12.5.3.1(3,7).0(17,21)]tricosa-1(19),3(23),4,6,15,17,20-heptaen-11-one
-
-
(13S)-15-amino-10,13-dicyclohexyl-2-oxa-10,14,16,19-tetraazatetracyclo[12.5.3.1(3,7).0(17,21)]tricosa-1(19),3(23),4,6,15,17,20-heptaen-11-one
-
-
(14S)-16-amino-10,14-dicyclohexyl-2-oxa-10,15,17-triazatetracyclo[13.5.3.1(3,7).0(18,22)]tetracosa-1(20),3(24),4,6,16,18,21-heptaen-11-one
-
potent inhibitor
(14S)-16-amino-10-cyclohexyl-14-(propan-2-yl)-2-oxa-10,15,17-triazatetracyclo[13.5.3.1(3,7).0(18,22)]tetracosa-1(20),3(24),4,6,16,18,21-heptaen-11-one
-
-
(14S)-16-amino-14-(propan-2-yl)-10-(tetrahydro-2H-pyran-4-yl)-2-oxa-10,15,17-triazatetracyclo[13.5.3.1(3,7).0(18,22)]tetracosa-1(20),3(24),4,6,16,18,21-heptaen-11-one
-
-
(14S)-16-amino-14-cyclohexyl-10-(tetrahydro-2H-pyran-4-yl)-2-oxa-10,15,17-triazatetracyclo[13.5.3.1(3,7).0(18,22)]tetracosa-1(20),3(24),4,6,16,18,21-heptaen-11-one
-
-
(15R)-17-amino-11,15-dicyclohexyl-2-oxa-11,16,18-triazatetracyclo[14.5.3.1(3,7).0(19,23)]pentacosa-1(21),3(25),4,6,17,19,22-heptaen-12-one
-
-
(15S)-17-amino-11,15-dicyclohexyl-2-oxa-11,16,18-triazatetracyclo[14.5.3.1(3,7).0(19,23)]pentacosa-1(21),3(25),4,6,17,19,22-heptaen-12-one
-
-
(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
-
-
(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
(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
(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
(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
(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
(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
(1R,3S)-3-[1-(acetylamino)cyclopentyl]-N-[(2S,3S,5R)-6-(butylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]cyclohexanecarboxamide
-
-
(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
(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
(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
-
-
(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
-
-
(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
-
-
(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
-
-
(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
-
-
(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
-
-
(1R,4S,5R,7R)-3,4-dibenzyl-2-oxo-N-(prop-2-yn-1-yl)-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide
32% inhibition at 0.01 mM
(1R,4S,5R,7R)-3,4-dibenzyl-7-(piperidin-1-ylcarbonyl)-6,8-dioxa-3-azabicyclo[3.2.1]octan-2-one
46% inhibition at 0.01 mM
(1R,5R,7R)-3-benzyl-7-(piperidin-1-ylcarbonyl)-6,8-dioxa-3-azabicyclo[3.2.1]octan-2-one
10% inhibition at 0.01 mM
(1R,5R,7R)-3-benzyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide
8% inhibition at 0.01 mM
(1S,2R)-N-[1-benzyl-2-hydroxy-3-(S)-[(1-benzylpiperidin-4-yl)amino]-propyl]-5-[methyl(methylsulfonyl)amino]-N'-[(R)-1-phenylethyl]isophthalamide
-
-
(1S,2R)-N-[1-benzyl-2-hydroxy-3-(S)-[2-(1-benzylpiperidin-4-yl)ethylamino]-propyl]-5-[methyl(methylsulfonyl)-amino]-N'-[(R)-1-(4-fluorophenyl)ethyl]isophthalamide
-
-
(1S,2R)-N-[1-benzyl-2-hydroxy-3-(S)-[2-(1-benzylpiperidin-4-yl)ethylamino]-propyl]-5-[methyl(methylsulfonyl)amino]-N'-[(R)-1-phenylethyl]isophthalamide
-
dual inhibitor of both beta-secretase and acetylcholinesterase, good inhibitory effects on amyloid beta production of amyloid precursor protein transfected HEK293 cells
(1S,2R)-N-{1-benzyl-2-hydroxy-3-(S)-[2-(1-benzylpiperidin-4-yl)ethylamino]-propyl}-5-[methyl(methylsulfonyl)amino]-N'-[(R)-1-phenylethyl]isophthalamide
-
dual inhibitor of both beta-secretase and acetylcholinesterase. Intracerebroventricular injection of into amyloid precursor protein transgenic mice causes a 29% reduction of amyloid beta1-40 production
(2R,4S)-N-butyl-4-hydroxy-2-methyl-4-[(2S,5S,7R)-1,2,7-trimethyl-3,16-dioxo-1,4-diazacyclohexadecan-5-yl]butanamide
56fold selectivity for beta-secretase over cathepsin D
(2R,4S)-N-butyl-4-[(2S,5S,7R)-2,7-dimethyl-3,15-dioxo-1,4-diazacyclopentadecan-5-yl]-4-hydroxy-2-methylbutanamide
-
(2R,4S)-N-butyl-4-[(2S,5S,7R)-2,7-dimethyl-3,16-dioxo-1,4-diazacyclohexadecan-5-yl]-4-hydroxy-2-methylbutanamide
-
(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
(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
(2S)-2-((3R)-3-acetamido-3-isobutyl-2-oxo-1-pyrrolidinyl)-N-((1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-2-(1,2,3,4-tetrahydro-3-isoquinolinyl)ethyl)-4-phenylbutanamide
crystallization data, EC50 value for HEK293 cells 10 nM
(2S)-2-((S)-3-acetamido-3-((R)-sec-butyl)-2-oxopyrrolidin-1-yl)-N-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((2R)-5-(propylsulfonyl)pyrrolidin-2-yl)propan-2-yl)-4-phenylbutanamide
(2S,5S,8S,11S,14S)-14-amino-5-benzyl-8-(cyclohexylmethyl)-16-(5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-2-hydroxy-11-(1-methylethyl)-4,7,10,13,16-pentaoxo-N-[3-(2H-tetrazol-5-yl)phenyl]-3,6,9,12-tetraazahexadecan-1-amide
i.e. KMI-574, 100% and 97% inhibition at 2 microM and 0.2 microM, respectively, 84% inhibition of beta-secretase BACE1 in cultured cell-based assay at 100 microM
(3aR,6aS)-N-[(2R)-1-([(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl]amino)-3-(methylsulfonyl)-1-oxopropan-2-yl]-3a,4,5,6a-tetrahydrofuro[3,2-d][1,2]oxazole-3-carboxamide
-
(3aR,6aS)-N-[(4R,7S,8S,10R,13S)-8-hydroxy-10,17-dimethyl-7-(2-methylpropyl)-2,2-dioxido-5,11,14-trioxo-13-(propan-2-yl)-2l6-thia-6,12,15-triazaoctadecan-4-yl]-3a,4,5,6a-tetrahydrofuro[3,2-d][1,2]oxazole-3-carboxamide
-
(3aR,6aS)-N-[(4R,7S,8S,10R,13S)-8-hydroxy-10,17-dimethyl-7-(2-methylpropyl)-5,11,14-trioxo-13-(propan-2-yl)-2-thia-6,12,15-triazaoctadecan-4-yl]-3a,4,5,6a-tetrahydrofuro[3,2-d][1,2]oxazole-3-carboxamide
-
(3aR,7aS)-N-[(4R,7S,8S,10R,13S)-8-hydroxy-10,17-dimethyl-7-(2-methylpropyl)-2,2-dioxido-5,11,14-trioxo-13-(propan-2-yl)-2l6-thia-6,12,15-triazaoctadecan-4-yl]-3a,5,6,7a-tetrahydro-4H-pyrano[3,2-d][1,2]oxazole-3-carboxamide
-
(3aS,6aR)-N-[(2R)-1-([(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl]amino)-3-(methylsulfonyl)-1-oxopropan-2-yl]-3a,4,5,6a-tetrahydrofuro[3,2-d][1,2]oxazole-3-carboxamide
-
(3aS,6aR)-N-[(4R,7S,8S,10R,13S)-8-hydroxy-10,17-dimethyl-7-(2-methylpropyl)-2,2-dioxido-5,11,14-trioxo-13-(propan-2-yl)-2l6-thia-6,12,15-triazaoctadecan-4-yl]-3a,4,5,6a-tetrahydrofuro[3,2-d][1,2]oxazole-3-carboxamide
-
(3aS,6aR)-N-[(4R,7S,8S,10R,13S)-8-hydroxy-10,17-dimethyl-7-(2-methylpropyl)-5,11,14-trioxo-13-(propan-2-yl)-2-thia-6,12,15-triazaoctadecan-4-yl]-3a,4,5,6a-tetrahydrofuro[3,2-d][1,2]oxazole-3-carboxamide
-
(3aS,7aR)-N-[(4R,7S,8S,10R,13S)-8-hydroxy-10,17-dimethyl-7-(2-methylpropyl)-2,2-dioxido-5,11,14-trioxo-13-(propan-2-yl)-2l6-thia-6,12,15-triazaoctadecan-4-yl]-3a,5,6,7a-tetrahydro-4H-pyrano[3,2-d][1,2]oxazole-3-carboxamide
-
(3S,14R,16S)-16-[(1R)-1-hydroxy-2-([3-(1-methylethyl)benzyl]amino)ethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5-dione
(3S,14R,16S)-16-[(1S)-2-[[(1R)-3,3-dimethyl-7-(1-methylethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-hydroxyethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5-dione
(3S,5R)-3-(4-amino-3-fluoro-5-[[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]oxy]benzyl)-5-[(3-tert-butylbenzyl)amino]-4-hydroxytetrahydro-2H-thiopyranium-1-olate
highly potent, selective inhibitors with improved cellular activity. Sufficient central nervous system exposure can be achieved with a single oral dose of 60 micromol/kg to effect significant reduction in brain amyloid beta in APP51/16 transgenic mice
(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(fluoromethyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine
upon oral administration, inhibitor exhibits robust brain availability and is efficacious in lowering central amyloid beta levels in mouse and dog. Chronic treatment in aged PS1/APP mice effects a decrease in the number and size of amyloid-beta-derived plaques. Evaluation of the inhibitor in a 2-week exploratory toxicology study exhibits no accumulation of autofluorescent material in retinal pigment epithelium or histology findings in the eye
(4aS,4'S,10aR)-8-(2-fluoropyridin-3-yl)-4a-methyl-3,4,4a,10a-tetrahydro-2H,5'H-spiro[pyrano[3,2-b]chromene-10,4'-thiazol]-2'-amine
compound demonstrates a 69% reduction in rat cerebrospinal fluid amyloid beta1?40 at 60 mg/kg
(4S)-4-(2,4-difluorophenyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
-
(4S)-4-[(1R)-1-hydroxy-2-([1-[3-(propan-2-yl)phenyl]cyclopropyl]amino)ethyl]-19-(2-oxopyrrolidin-1-yl)-11,16-dioxa-3-azatricyclo[15.3.1.1(6,10)]docosa-1(21),6(22),7,9,17,19-hexaen-2-one
-
-
(4S)-4-[(1R)-1-hydroxy-2-([1-[3-(propan-2-yl)phenyl]cyclopropyl]amino)ethyl]-19-(methoxymethyl)-11,16-dioxa-3,18-diazatricyclo[15.3.1.1(6,10)]docosa-1(21),6(22),7,9,17,19-hexaen-2-one
-
-
(4S)-4-[(1R)-1-hydroxy-2-([1-[3-(propan-2-yl)phenyl]cyclopropyl]amino)ethyl]-19-methyl-11,16-dioxa-3,18-diazatricyclo[15.3.1.1(6,10)]docosa-1(21),6(22),7,9,17,19-hexaen-2-one
-
-
(4S)-4-[(1R)-1-hydroxy-2-([1-[3-(propan-2-yl)phenyl]ethyl]amino)ethyl]-19-methyl-11,16-dioxa-3,18-diazatricyclo[15.3.1.1(6,10)]docosa-1(21),6(22),7,9,17,19-hexaen-2-one
-
-
(4S)-4-[(1R)-1-hydroxy-2-([2-[3-(propan-2-yl)phenyl]propan-2-yl]amino)ethyl]-19-(methoxymethyl)-11-oxa-3,16-diazatricyclo[15.3.1.1(6,10)]docosa-1(21),6(22),7,9,17,19-hexaen-2-one
-
-
(4S)-4-[(1R)-1-hydroxy-2-[[3-(propan-2-yl)benzyl]amino]ethyl]-11-oxa-3,16-diazatricyclo[15.3.1.1(6,10)]docosa-1(21),6(22),7,9,17,19-hexaen-2-one
-
-
(4S)-4-[(1R)-1-hydroxy-2-[[3-(propan-2-yl)benzyl]amino]ethyl]-19-(methoxymethyl)-11-oxa-3,16-diazatricyclo[15.3.1.1(6,10)]docosa-1(21),6(22),7,9,17,19-hexaen-2-one
-
-
(4S)-4-[(1R)-1-hydroxy-2-[[3-(propan-2-yl)benzyl]amino]ethyl]-19-methyl-11,16-dioxa-3,18-diazatricyclo[15.3.1.1(6,10)]docosa-1(21),6(22),7,9,17,19-hexaen-2-one
-
-
(4S)-4-[(1R)-1-hydroxy-2-[[3-(propan-2-yl)benzyl]amino]ethyl]-19-methyl-11-oxa-3,16,18-triazatricyclo[15.3.1.1(6,10)]docosa-1(21),6(22),7,9,17,19-hexaen-2-one
-
-
(4S)-4-[(1R)-2-[[1-(3-tert-butylphenyl)-2,2,2-trifluoroethyl]amino]-1-hydroxyethyl]-19-(methoxymethyl)-11-oxa-3,16-diazatricyclo[15.3.1.1(6,10)]docosa-1(21),6(22),7,9,17,19-hexaen-2-one
-
-
(4S)-4-[(1R)-2-[[1-(3-tert-butylphenyl)-2-fluoroethyl]amino]-1-hydroxyethyl]-19-(methoxymethyl)-11-oxa-3,16-diazatricyclo[15.3.1.1(6,10)]docosa-1(21),6(22),7,9,17,19-hexaen-2-one
-
-
(4S)-4-[(1R)-2-[[1-(3-tert-butylphenyl)-2-methoxyethyl]amino]-1-hydroxyethyl]-19-(methoxymethyl)-11-oxa-3,16-diazatricyclo[15.3.1.1(6,10)]docosa-1(21),6(22),7,9,17,19-hexaen-2-one
-
-
(4S)-4-[(1R)-2-[[1-(3-tert-butylphenyl)cyclobutyl]amino]-1-hydroxyethyl]-19-(methoxymethyl)-11-oxa-3,16-diazatricyclo[15.3.1.1(6,10)]docosa-1(21),6(22),7,9,17,19-hexaen-2-one
-
-
(4S)-4-[(1R)-2-[[1-(3-tert-butylphenyl)cyclopentyl]amino]-1-hydroxyethyl]-19-(methoxymethyl)-11-oxa-3,16-diazatricyclo[15.3.1.1(6,10)]docosa-1(21),6(22),7,9,17,19-hexaen-2-one
-
-
(4S)-4-[2,4-difluoro-5-(pyrimidin-5-yl)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
-
(4S,6R)-4-(2,4-difluorophenyl)-4-methyl-6-(pyrimidin-5-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
-
(5S)-2-amino-5-(2',4'-difluorobiphenyl-3-yl)-3-methyl-5-(pyridin-4-yl)-3,5-dihydro-4H-imidazol-4-one
-
5fold selectivity for BACE2 over BACE1, 27fold selectivity for BACE2 over cathepsin D
(5S)-2-amino-5-[3-fluoro-5-(2-fluoropyridin-3-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-3-methyl-3,5-dihydro-4H-imidazol-4-one
(6R)-2,6-anhydro-5-O-[(E)-2-(4-hydroxyphenyl)ethenyl]-6-[2-[(2R)-2-hydroxypropyl]-7-methoxy-5-methyl-4-oxo-4H-chromen-8-yl]-L-glucitol
-
inhibitor isolated from Aloe vera and Aloe nobilis. Inhibition of amyloid beta1-42 production by 7.4% in B103 neuroblastoma cells at 30 ppm
(6R)-2,6-anhydro-6-[7-methoxy-5-methyl-4-oxo-2-[(1E)-prop-1-en-1-yl]-4H-chromen-8-yl]-L-glucitol
-
inhibitor isolated from Aloe vera and Aloe nobilis. Inhibition of amyloid beta1-42 production by 12.3% in B103 neuroblastoma cells at 30 ppm
(6R)-2-amino-3,6-dimethyl-6-(2-phenylethyl)-5,6-dihydropyrimidin-4(3H)-one
-
(6R)-2-amino-6-[2-(3'-methoxybiphenyl-4-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one
-
(6R)-2-amino-6-[2-(biphenyl-4-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one
-
(6S)-2-amino-6-(3'-methoxybiphenyl-3-yl)-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one
-
(7S,12Z)-N-[(2S,4R)-2-hydroxy-4-methyl-5-[[(1S)-2-methyl-1-(phenylcarbamoyl)propyl]amino]-1-(2-methylpropyl)-5-oxopentyl]-4-(1-methylethyl)-2,5,9-trioxo-1-oxa-3,6,10-triazacyclohexadec-12-ene-7-carboxamide
-
-
(R)-3-(2-amino-6-(3-chloropyridin-2-yl)quinolin-3-yl)-N-(3,3-dimethylbutyl)-2-methylpropanamide
-
EC50 value for cell assay 80 nM
(R)-3-(2-amino-6-(3-methylpyridin-2-yl)quinolin-3-yl)-N-(3,3-dimethylbutyl)-2-methylpropanamide
-
EC50 value for cell assay 35 nM
(R)-N-(3-(3-amino-1-methyl-9-oxa-4-thia-2-azaspiro[5.5]undec-2-en-1-yl)-4-fluorophenyl)-5-(fluoromethoxy)pyrazine-2-carboxamide
-
(R)-N-(3-(3-amino-5-methyl-9,9-dioxido-2,9-dithia-4-azaspiro[5.5]undec-3-en-5-yl)-4-fluorophenyl)-5-(fluoromethoxy)pyrazine-2-carboxamide
-
(R)-N-(3-(3-amino-9,9-difluoro-5-methyl-2-thia-4-azaspiro[5.5]undec-3-en-5-yl)-4-fluorophenyl)-5-(fluoromethoxy)pyrazine-2-carboxamide
-
(R)-N-(3-(7-amino-2,2-difluoro-9-methyl-6-thia-8-azaspiro[3.5]non-7-en-9-yl)-4-fluorophenyl)-5-(fluoromethoxy)pyrazine-2-carboxamide
-
(S)-3-(6,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)-7-(2-fluoropyridin-3-yl)-5'H-spiro[chromeno[2,3-b]pyridine-5,4'-oxazol]-2'-amine
inhibitor shows good BACE1 functional potency, permeability, intrinsic stability, and P-glycoprotein efflux ratios
(S)-7-(2-fluoropyridin-3-yl)-3-((3-methyloxetan-3-yl)ethynyl)-5H-spiro[chromeno[2,3-b]pyridine-5,4-oxazol]-2-amine
i.e. AMG-8718.compound exhibits a balanced profile of BACE1 potency, hERG binding affinity, and P-glycoprotein recognition. Compound produces robust and sustained reductions of cerebrospinal fluid and brain amyloid beta levels in a rat pharmacodynamic model
(S)-N-(3-(2-amino-4-methyl-5,6-dihydro-4H-1,3-thiazin-4-yl)-4-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
-
(S)-N-(3-(2-amino-4-methyl-5,6-dihydro-4H-1,3-thiazin-4-yl)-4-fluorophenyl)-5-(difluoromethyl)pyrazine-2-carboxamide
-
(S)-N-(3-(2-amino-4-methyl-5,6-dihydro-4H-1,3-thiazin-4-yl)-4-fluorophenyl)-5-(fluoromethoxy)pyrazine-2-carboxamide
-
(S)-N-(3-(2-amino-4-methyl-5,6-dihydro-4H-1,3-thiazin-4-yl)-4-fluorophenyl)-5-chloropicolinamide
-
(S)-N-(3-(2-amino-4-methyl-5,6-dihydro-4H-1,3-thiazin-4-yl)-4-fluorophenyl)-5-cyanopicolinamide
-
(S)-N-(3-(2-amino-4-methyl-5,6-dihydro-4H-1,3-thiazin-4-yl)-4-fluorophenyl)-5-fluoropicolinamide
-
(S)-N-(3-(2-amino-4-methyl-5,6-dihydro-4H-1,3-thiazin-4-yl)-4-fluorophenyl)-5-methoxypyrazine-2-carboxamide
-
1,1'-piperazine-1,4-diylbis[3-(3,6-dichloro-9H-carbazol-9-yl)propan-2-ol]
-
inhibitor identified by in silico mulit-filter approaches. Calculated binding free energy of R,S-isomer -48 kcal/mol
1,1'-piperazine-1,4-diylbis[3-(9H-carbazol-9-yl)propan-2-ol]
-
inhibitor identified by in silico mulit-filter approaches. Calculated binding free energy of S,R-isomer -48.2 kcal/mol
1,3-bis(3,5-bis(trifluoromethyl)phenyl)urea
100% inhibition at 100 nM, 15% inhibition at 10 nM
1,5-anhydro-1-[7-hydroxy-2-[(2S)-2-hydroxypropyl]-5-methyl-4-oxo-4H-chromen-8-yl]hexitol
-
37.2% inhibition at 0.1 mM
1,5-anhydro-1-[7-hydroxy-5-methyl-4-oxo-2-(2-oxopropyl)-4H-chromen-8-yl]-2-O-[(E)-2-(4-hydroxyphenyl)ethenyl]hexitol
-
39.5% inhibition at 0.1 mM
1,5-anhydro-1-[7-methoxy-5-methyl-4-oxo-2-(2-oxopropyl)-4H-chromen-8-yl]hexitol
-
41.0% inhibition at 0.1 mM
1,5-anhydro-2-O-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1-[7-hydroxy-5-methyl-4-oxo-2-(2-oxopropyl)-4H-chromen-8-yl]hexitol
-
36.4% inhibition at 0.1 mM
1,5-anhydro-2-O-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1-[7-methoxy-5-methyl-4-oxo-2-(2-oxopropyl)-4H-chromen-8-yl]hexitol
-
48.7% inhibition at 0.1 mM
1-(2-chlorobenzyl)-4-(4-(dibenzo[b,d]furan-1-yl)benzyl)-1H-imidazol-2-amine
-
0.005 mM, 37.8% inhibition. Inhibitor is predicted to be able to cross the blood-brain barrier
1-(3,5-bis(trifluoromethyl)-phenyl)-3-(3,5-dimethylphenyl)urea
80% inhibition at 100 nM
1-(4-fluorobenzyl)-4-((30,50-dimethoxybiphenyl-4-yl)methyl)-1H-imidazol-2-amine
-
0.005 mM, 40% inhibition. Inhibitor is predicted to be able to cross the blood-brain barrier
1-[ (3-benzoylamino-phenylcarbamoyl)-methyl]-pyridinium chloride
-
51% inhibition at 0.05 mM
1-[(3-benzoylamino-phenylcarbamoyl)-methyl]-3-carbamoyl-pyridiniumchloride
-
54% inhibition at 0.05 mM
1-[(3-benzoylamino-phenylcarbamoyl)-methyl]-3-phenethylcarbamoyl-pyridinium chloride
-
55% inhibition at 0.05 mM
1-[(3-m-tolylcarbamoyl-phenylcarbamoyl)-methyl]-pyridinium chloride
-
61% inhibition at 0.05 mM
1-[(3-p-tolylcarbamoyl-phenylcarbamoyl)-methyl]-pyridinium chloride
-
42% inhibition at 0.05 mM
1-[(E)-[(4-methylquinazolin-2-yl)amino][(phenylcarbamoyl)amino]methylidene]-3-phenylurea
-
complete inhibition at 0.1 mM
1-[[3-(4-chloro-phenylcarbamoyl)-phenylcarbamoyl]-methyl]-3-phenethylcarbamoyl-pyridinium chloride
-
78% inhibition at 0.05 mM
1-[[3-(4-chloro-phenylcarbamoyl)-phenylcarbamoyl]-methyl]-pyridinium chloride
-
complete inhibition at 0.05 mM
1-[[3-(4-methoxy-phenylcarbamoyl)-phenylcarbamoyl]-methyl]-3-phenethylcarbamoyl-pyridinium chloride
-
44% inhibition at 0.05 mM
1-[[3-(4-methoxy-phenylcarbamoyl)-phenylcarbamoyl]-methyl]-pyridinium chloride
-
complete inhibition at 0.05 mM
1-[[3-(4-methoxy-phenylsulfamoyl)-phenylcarbamoyl]-methyl]-pyridinium chloride
-
50% inhibition at 0.05 mM
1-[[3-(4-methyl-benzoylamino)-phenylcarbamoyl]-methyl]-3-phenethylcarbamoyl-pyridinium chloride
-
complete inhibition at 0.05 mM
1-[[3-(4-methyl-benzoylamino)-phenylcarbamoyl]-methyl]-pyridinium chloride
-
-
11-oxo-N-(pyridin-4-yl)-10,11-dihydro-5H-dibenzo[b,e][1,4]-diazepine-3-carboxamide
-
-
15,16-dihydrotanshinone
-
16-amino-11-cyclohexyl-2-oxa-11,15,17-triazatetracyclo[13.5.3.1(3,7).0(18,22)]tetracosa-1(20),3(24),4,6,16,18,21-heptaen-12-one
-
-
1[[3-(4-methyl-benzoylamino)-phenylcarbamoyl]-methyl]-pyridinium chloride
-
68% inhibition at 0.05 mM
2'-O-coumaroyl-(S)-aloesinol
-
51.9% inhibition at 0.1 mM
2'-O-[p-methoxy-(E)-cinnamoyl]-(S)-aloesinol
-
34.1% inhibition at 0.1 mM
2,3-dihydro-6-methylginkgetin
isolated from from Cephalotaxus harringtonia var. fastigiata
2,3-dihydroamentoflavone
a 2,3-dihydroamentoflavone from Cycas revoluta
2-((4-amino-6-oxo-1,6-dihydropyrimidin-2-yl)thio)eN-(4-phenylthiazol-2-yl)acetamide
17.8% inhibition at 0.05 mM
2-((5-amino-1,3,4-thiadiazol-2-yl)thio)eN-(4-phenylthiazol-2-yl)acetamide
21.8% inhibition at 0.05 mM
2-((5-cyano-4-(2-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl)thio)eN-(4-(3-nitrophenyl)thiazol-2-yl)acetamide
62.4% inhibition at 0.05 mM
2-((5-cyano-4-(2-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl)thio)eN-(4-(4-nitrophenyl)thiazol-2-yl)acetamide
77.5% inhibition at 0.05 mM
2-((5-cyano-4-(2-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl)thio)eN-(4-phenylthiazol-2-yl)acetamide
25.9% inhibition at 0.05 mM
2-((5-cyano-4-(3-ethoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl)thio)eN-(4-(4-methoxyphenyl)thiazol-2-yl)acetamide
9.4% inhibition at 0.05 mM
2-((5-cyano-4-(3-ethoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl)thio)eN-(4-(4-nitrophenyl)thiazol-2-yl)acetamide
85.6% inhibition at 0.05 mM
2-((5-cyano-4-(3-ethoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl)thio)eN-(4-(p-tolyl)thiazol-2-yl)acetamide
11.5% inhibition at 0.05 mM
2-((5-cyano-4-(3-ethoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl)thio)eN-(4-phenyl-1H-imidazol-2-yl)acetamide
84.5% inhibition at 0.01 mM
2-((5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl)thio)eN-(4-(2-nitrophenyl)thiazol-2-yl)acetamide
6.5% inhibition at 0.05 mM
2-((5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl)thio)eN-(4-(3-(2-fluoropyridin-3-yl)phenyl)thiazol-2-yl)acetamide
88.7% inhibition at 0.05 mM
2-((5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl)thio)eN-(4-(3-nitrophenyl)thiazol-2-yl)acetamide
78.5% inhibition at 0.05 mM
2-((5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl)thio)eN-(4-(4-methoxyphenyl)thiazol-2-yl)acetamide
16.5% inhibition at 0.05 mM
2-((5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl)thio)eN-(4-(4-nitrophenyl)thiazol-2-yl)acetamide
83.9% inhibition at 0.05 mM
2-((5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl)thio)eN-(4-(p-tolyl)thiazol-2-yl)acetamide
8.1% inhibition at 0.05 mM
2-((5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl)thio)eN-(4-phenyl-1H-imidazol-2-yl)acetamide
78.6% inhibition at 0.01 mM
2-((5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl)thio)eN-(4-phenylthiazol-2-yl)acetamide
50.7% inhibition at 0.05 mM
2-((5-cyano-4-(4-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl)thio)eN-(4-(3-nitrophenyl)thiazol-2-yl)acetamide
12.3% inhibition at 0.01 mM
2-((5-cyano-4-(4-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl)thio)eN-(4-(4-nitrophenyl)thiazol-2-yl)acetamide
5.9% inhibition at 0.01 mM
2-((5-cyano-4-(4-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl)thio)eN-(4-phenylthiazol-2-yl)acetamide
10.7% inhibition at 0.05 mM
2-((5-cyano-6-oxo-4-(3-(trifluoromethoxy)phenyl)-1,6-dihydropyrimidin-2-yl)thio)eN-(4-phenylthiazol-2-yl)acetamide
85.8% inhibition at 0.05 mM
2-((5-cyano-6-oxo-4-(3-(trifluoromethyl)phenyl)-1,6-dihydropyrimidin-2-yl)thio)eN-(4-phenylthiazol-2-yl)acetamide
82.5% inhibition at 0.05 mM
2-((6-oxo-1,6-dihydropyrimidin-2-yl)thio)eN-(4-phenylthiazol-2-yl)acetamide
22.5% inhibition at 0.05 mM
2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one
-
i.e. norartocarpetin, prenylated flavone from the stem bark of Morus lhou, noncompetitive
2-(2-(4-(6-bromo-3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl)phenoxy)propyl)isoindoline-1,3-dione
34.28% inhibition at 0.05 mM
2-(3-(4-(3-(cyclohexylamino)-5-methylimidazo[1,2-a]pyridin-2-yl)phenoxy)propyl)isoindoline-1,3-dione
87.94% inhibition at 0.05 mM
2-(3-(4-(3-(cyclohexylamino)-6-methylimidazo[1,2-a]pyridin-2-yl)phenoxy)propyl)isoindoline-1,3-dione
63.7% inhibition at 0.05 mM
2-(3-(4-(3-(cyclohexylamino)-7-methylimidazo[1,2-a]pyridin-2-yl)phenoxy)propyl)isoindoline-1,3-dione
complete inhibition at 0.05 mM
2-(3-(4-(3-(cyclohexylamino)-8-methylimidazo[1,2-a]pyridin-2-yl)phenoxy)propyl)isoindoline-1,3-dione
69.43% inhibition at 0.05 mM
2-(3-(4-(3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl)-2-methoxyphenoxy)propyl)isoindoline-1,3-dione
69.49% inhibition at 0.05 mM
2-(3-(4-(3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl)phenoxy)propyl)isoindoline-1,3-dione
less than 10% inhibition at 0.05 mM
2-(3-(4-(3-(tert-butylamino)-6-chloroimidazo[1,2-a]pyridin-2-yl)-2-methoxyphenoxy)propyl)isoindoline-1,3-dione
37.9% inhibition at 0.05 mM
2-(3-(4-(3-(tert-butylamino)-6-chloroimidazo[1,2-a]pyridin-2-yl)phenoxy)propyl)isoindoline-1,3-dione
32.95% inhibition at 0.05 mM
2-(3-(4-(3-(tert-butylamino)-7-methylimidazo[1,2-a]pyridin-2-yl)phenoxy)propyl)isoindoline-1,3-dione
24.24% inhibition at 0.01 mM
2-(3-(4-(6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl)-2-methoxyphenoxy)propyl) isoindoline-1,3-dione
43.17% inhibition at 0.05 mM
2-(3-(4-(6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl)phenoxy)propyl)isoindoline-1,3-dione
45.3% inhibition at 0.05 mM
2-(3-(4-(6-bromo-3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl)-2-methoxyphenoxy)propyl) isoindoline-1,3-dione
48.72% inhibition at 0.05 mM
2-(3-(4-(6-chloro-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl)-2-methoxyphenoxy)propyl) isoindoline-1,3-dione
88.097% inhibition at 0.05 mM
2-(3-(4-(6-chloro-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl)phenoxy)propyl)isoindoline-1,3-dione
19.6% inhibition at 0.05 mM
2-(3-(imidazo[1,2-a]pyridin-2-yl)phenyl)-6-methoxy-1Hbenzo[d]imidazole
inhibitor of BACE1, EC 3.4.23.46. 150fold more effective on BACE1 than BACE2
2-amino-3,4-dihydroquinazoline
-
-
2-amino-3-ethyl-5,5-diphenyl-3,5-dihydro-4H-imidazol-4-one
-
2-amino-3-methyl-5,5-diphenyl-3,5-dihydro-4H-imidazol-4-one
-
-
2-amino-3-methyl-5-(2-methylpyridin-4-yl)-5-[3-(pyridin-3-yl)phenyl]-3,5-dihydro-4H-imidazol-4-one
-
-
2-amino-3-methyl-5-(2-methylpyridin-4-yl)-5-[3-(pyrimidin-5-yl)phenyl]-3,5-dihydro-4H-imidazol-4-one
-
-
2-amino-3-methyl-5-(pyridin-4-yl)-5-[3-(pyridin-3-yl)phenyl]-3,5-dihydro-4H-imidazol-4-one
-
exhibits modest selectivity (about 8fold) against BACE2
2-amino-3-methyl-5-(tricyclo[3.3.1.1(3,7)]dec-1-yl)-5-[3-(trifluoromethoxy)phenyl]-3,5-dihydro-4H-imidazol-4-one
-
2-amino-3-methyl-5-phenyl-5-(pyridin-4-yl)-3,5-dihydro-4H-imidazol-4-one
-
-
2-amino-3-methyl-5-phenyl-5-(tricyclo[3.3.1.13,7]dec-1-yl)-3,5-dihydro-4H-imidazol-4-one
-
2-amino-3-methyl-5-[2-(propan-2-yl)pyridin-4-yl]-5-[3-(pyrimidin-5-yl)phenyl]-3,5-dihydro-4H-imidazol-4-one
-
-
2-amino-3-methyl-5-[2-methyl-6-(propan-2-yl)pyridin-4-yl]-5-[3-(pyrimidin-5-yl)phenyl]-3,5-dihydro-4H-imidazol-4-one
-
24% inhibition at 0.0125 mM
2-amino-3-methyl-6-(naphthalen-2-ylmethyl)pyrimidin-4(3H)-one
-
2-amino-3-[(1R)-1-cyclohexyl-2-[(cyclohexylcarbonyl)amino]ethyl]-6-phenoxyquinazolin-3-ium
-
2-amino-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-6-yl 3-chlorobenzoate
-
2-amino-5,5-diphenyl-3,5-dihydro-4H-imidazol-4-one
-
2-amino-5-(1,3-benzodioxol-5-yl)-3-methyl-5-[3-(pyridin-3-yl)phenyl]-3,5-dihydro-4H-imidazol-4-one
-
2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-5-[3-(pyridin-3-yl)phenyl]-3,5-dihydro-4H-imidazol-4-one
-
2-amino-5-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-5-[3-(pyridin-3-yl)phenyl]-3,5-dihydro-4H-imidazol-4-one
-
2-amino-5-(2,6-diethylpyridin-4-yl)-3-methyl-5-[3-(pyrimidin-5-yl)phenyl]-3,5-dihydro-4H-imidazol-4-one
-
-
2-amino-5-(2,6-dimethylpyridin-4-yl)-3-methyl-5-[3-(pyrimidin-5-yl)phenyl]-3,5-dihydro-4H-imidazol-4-one
-
-
2-amino-5-(2-ethyl-6-methylpyridin-4-yl)-3-methyl-5-[3-(pyrimidin-5-yl)phenyl]-3,5-dihydro-4H-imidazol-4-one
-
28% inhibition at 0.0125 mM
2-amino-5-(2-ethylpyridin-4-yl)-3-methyl-5-[3-(pyrimidin-5-yl)phenyl]-3,5-dihydro-4H-imidazol-4-one
-
-
2-amino-5-(3,4-dimethoxyphenyl)-3-methyl-5-(tricyclo[3.3.1.1(3,7)]dec-1-yl)-3,5-dihydro-4H-imidazol-4-one
-
2-amino-5-(3-butoxyphenyl)-3-methyl-5-(tricyclo[3.3.1.1(3,7)]dec-1-yl)-3,5-dihydro-4H-imidazol-4-one
-
2-amino-5-(3-chlorophenyl)-3-methyl-5-phenyl-3,5-dihydro-4H-imidazol-4-one
-
2-amino-5-(3-ethoxyphenyl)-3-methyl-5-(tricyclo[3.3.1.1(3,7)]dec-1-yl)-3,5-dihydro-4H-imidazol-4-one
-
2-amino-5-(3-methoxy-4-methylphenyl)-3-methyl-5-(tricyclo[3.3.1.1(3,7)]dec-1-yl)-3,5-dihydro-4H-imidazol-4-one
-
2-amino-5-(3-methoxyphenyl)-3-methyl-5-(tricyclo[3.3.1.1(3,7)]dec-1-yl)-3,5-dihydro-4H-imidazol-4-one
-
2-amino-5-(3-methoxyphenyl)-3-methyl-5-phenyl-3,5-dihydro-4H-imidazol-4-one
-
2-amino-5-(4-chlorophenyl)-3-methyl-5-phenyl-3,5-dihydro-4H-imidazol-4-one
-
2-amino-5-(4-ethyl-3-methoxyphenyl)-3-methyl-5-(tricyclo[3.3.1.1(3,7)]dec-1-yl)-3,5-dihydro-4H-imidazol-4-one
-
2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-(6-methylbiphenyl-3-yl)-3,5-dihydro-4H-imidazol-4-one
-
2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-[3-(pyridin-3-yl)phenyl]-3,5-dihydro-4H-imidazol-4-one
-
-
2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-[3-(pyrimidin-5-yl)phenyl]-3,5-dihydro-4H-imidazol-4-one
-
2-amino-5-(4-methoxyphenyl)-3-methyl-5-phenyl-3,5-dihydro-4H-imidazol-4-one
-
2-amino-5-(biphenyl-3-yl)-3-methyl-5-(pyridin-4-yl)-3,5-dihydro-4H-imidazol-4-one
-
-
2-amino-5-(biphenyl-3-yl)-5-(3,4-dimethoxyphenyl)-3-methyl-3,5-dihydro-4H-imidazol-4-one
-
2-amino-5-(biphenyl-3-yl)-5-(3-butoxy-4-methoxyphenyl)-3-methyl-3,5-dihydro-4H-imidazol-4-one
-
2-amino-5-(biphenyl-3-yl)-5-(3-chloro-4-methoxyphenyl)-3-methyl-3,5-dihydro-4H-imidazol-4-one
-
2-amino-5-(biphenyl-3-yl)-5-(3-cyclopentyl-4-methoxyphenyl)-3-methyl-3,5-dihydro-4H-imidazol-4-one
-
2-amino-5-(biphenyl-3-yl)-5-(3-ethoxy-4-methoxyphenyl)-3-methyl-3,5-dihydro-4H-imidazol-4-one
-
2-amino-5-(biphenyl-3-yl)-5-(3-ethoxy-4-propoxyphenyl)-3-methyl-3,5-dihydro-4H-imidazol-4-one
-
2-amino-5-(biphenyl-3-yl)-5-(3-fluoro-4-methoxyphenyl)-3-methyl-3,5-dihydro-4H-imidazol-4-one
-
2-amino-5-(biphenyl-3-yl)-5-(4-methoxy-3-methylphenyl)-3-methyl-3,5-dihydro-4H-imidazol-4-one
-
2-amino-5-(biphenyl-3-yl)-5-[3-(cyclopentyloxy)-4-methoxyphenyl]-3-methyl-3,5-dihydro-4H-imidazol-4-one
-
2-amino-5-(biphenyl-3-yl)-5-[4-methoxy-3-(propan-2-yloxy)phenyl]-3-methyl-3,5-dihydro-4H-imidazol-4-one
-
2-amino-5-(biphenyl-3-yl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-3-methyl-3,5-dihydro-4H-imidazol-4-one
-
2-amino-5-[2-fluoro-3-(pyrimidin-5-yl)phenyl]-3-methyl-5-[4-(trifluoromethoxy)phenyl]-3,5-dihydro-4H-imidazol-4-one
-
2-amino-5-[3-(2-fluoropyridin-3-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-3-methyl-3,5-dihydro-4H-imidazol-4-one
2-amino-5-[3-(2-methoxypyridin-3-yl)phenyl]-3-methyl-5-[4-(trifluoromethoxy)phenyl]-3,5-dihydro-4H-imidazol-4-one
-
2-amino-5-[3-(6-fluoropyridin-3-yl)phenyl]-3-methyl-5-[4-(trifluoromethoxy)phenyl]-3,5-dihydro-4H-imidazol-4-one
-
2-amino-5-[3-(6-methoxypyridin-3-yl)phenyl]-3-methyl-5-[4-(trifluoromethoxy)phenyl]-3,5-dihydro-4H-imidazol-4-one
-
2-amino-5-[3-fluoro-5-(pyrimidin-5-yl)phenyl]-3-methyl-5-[4-(trifluoromethoxy)phenyl]-3,5-dihydro-4H-imidazol-4-one
-
2-amino-5-[4-fluoro-3-(2-fluoropyridin-3-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-3-methyl-3,5-dihydro-4H-imidazol-4-one
-
2-amino-5-[4-fluoro-3-(pyrimidin-5-yl)phenyl]-3-methyl-5-[4-(trifluoromethoxy)phenyl]-3,5-dihydro-4H-imidazol-4-one
-
2-amino-5-[4-fluoro-3-(pyrimidin-5-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-3-methyl-3,5-dihydro-4H-imidazol-4-one
aminohydantoin inhibitor, shows comparable activity in a cell-based assay, and demonstrates more than 100fold selectivity for the other structurally related aspartyl proteases BACE2, cathepsinD, renin, and pepsin
2-amino-6-(3a,7a-dihydro-1H-indol-6-ylmethyl)-3-methylpyrimidin-4(3H)-one
-
2-amino-6-(3a,7a-dihydro-1H-indol-6-ylmethyl)pyrimidin-4(3H)-one
-
2-amino-6-benzyl-3-methylpyrimidin-4(3H)-one
-
2-amino-8-(2-nitrophenyl)-9-phenyl-1,9-dihydro-6H-purin-6-one
-
2-amino-8-(4-bromophenyl)-9-phenyl-1,9-dihydro-6H-purin-6-one
-
2-deoxy-4-O-beta-D-glucopyranuronosyl-6-O-sulfo-2-(sulfoamino)-beta-D-glucopyranose
-
IC50: 0.000053 mg/ml
2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl [(4,6-diphenylpyrimidin-2-yl)sulfanyl]acetate
-
75% inhibition at 0.1 mM
2-[(3-cyano-4,6-diphenylpyridin-2-yl)sulfanyl]-N-(3-nitrophenyl)acetamide
-
complete inhibition at 0.1 mM
2-[(4-methyl-5-[2-[(4-methylphenyl)amino]-2-oxoethyl]-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
-
83% inhibition at 0.1 mM
2-[(6-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
-
90% inhibition at 0.1 mM
2-[[(1S,2S)-1-benzyl-2-hydroxy-3-oxo-3-[[3-(2H-tetrazol-5-yl)phenyl]amino]propyl]carbamoyl]-6-[[(4S)-4-phenyl-1,3-oxazolidin-3-yl]carbonyl]pyridin-4-yl methanesulfonate
i.e. KMI-1036, BACE1 inhibitors with a 5-membered ring at the P3 position and their BACE1 inhibitory activities summarized
2-[[2-amino-6-([2-(2-chlorophenyl)-5-[4-(pentyloxy)phenyl]-1H-pyrrol-1-yl]methyl)pyridin-3-yl]amino]ethanol
-
-
2-[[2-amino-6-([2-(2-chlorophenyl)-5-[4-(pentyloxy)phenyl]-1H-pyrrol-1-yl]methyl)pyridin-3-yl]oxy]ethanol
-
1.7% inhibition at 0.0125 mM
2-[[2-amino-6-([2-(2-chlorophenyl)-5-[4-(pyrimidin-5-yloxy)phenyl]-1H-pyrrol-1-yl]methyl)pyridin-3-yl]amino]ethanol
-
8.46% inhibition at 0.0125 mM
2-[[2-amino-6-([2-(2-chlorophenyl)-5-[4-(pyrimidin-5-yloxy)phenyl]-1H-pyrrol-1-yl]methyl)pyridin-3-yl]oxy]ethanol
-
5.43% inhibition at 0.0125 mM
2-[[3-cyano-4-(4-fluorophenyl)-6-phenylpyridin-2-yl]sulfanyl]-N-(tricyclo[3.3.1.1(3,7)]dec-1-yl)acetamide
-
45% inhibition at 0.1 mM
2-[[3-cyano-6-(4-fluorophenyl)-4-phenylpyridin-2-yl]sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
-
80% inhibition at 0.1 mM
2-[[4-(4-chlorophenyl)-3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanyl]-N-(naphthalen-2-yl)-N-phenylacetamide
-
68% inhibition at 0.1 mM
2-[[4-benzyl-5-(1H-indol-3-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-indol-3-yl)ethanone
-
75% inhibition at 0.1 mM
3-(3H-imidazo[4,5-c]pyridin-2-yl)-5H-dibenzo[b,e][1,4]diazepin-11(10H)-one
-
-
3-(5-((7aR)-6-(5-fluoropyrimidin-2-yl)-2-imino-3-methyl-4-oxooctahydro-1H-pyrrolo[3,4-d]pyrimidin-7a-yl)thiophen-3-yl)benzonitrile
orally active, brain penetrant inhibitor that reduces amyloid beta40 in the plasma, cerebrospinal fluid, and cortex of rats in a dose-dependent manner
3-(5-(4-fluorophenyl)-1H-imidazol-2-yl)-5H dibenzo[b,e][1,4]diazepin-11(10H)-one
-
-
3-(5-(pyridin-4-yl)-1H-imidazol-2-yl)-5H dibenzo[b,e][1,4]-diazepin-11(10H)-one
-
-
3-(6-(2-acetylphenyl)-2-aminoquinolin-3-yl)-N-(3,3-dimethylbutyl)-2-methylpropanamide
-
EC50 value for cell assay 11 nM
3-(6-fluoro-1H-benzo[d]imidazol-2-yl)-5H-dibenzo[b,e][1,4]diazepin-11(10H)-one
-
-
3-(benzylsulfanyl)-6-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
-
48% inhibition at 0.1 mM
3-(butylsulfonyl)-N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]-N2-(3,3,3-trifluoropropanoyl)-D-alaninamide
-
-
3-(butylsulfonyl)-N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]-N2-(methoxyacetyl)-D-alaninamide
-
-
3-(butylsulfonyl)-N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]-N2-(pyridin-3-ylacetyl)-D-alaninamide
-
-
3-(butylsulfonyl)-N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]-N2-(pyridin-4-ylacetyl)-D-alaninamide
-
-
3-(butylsulfonyl)-N2-(3-cyanopropanoyl)-N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]-D-alaninamide
-
-
3-(butylsulfonyl)-N2-(cyclopropylcarbonyl)-N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]-D-alaninamide
-
-
3-(cyclohexylsulfonyl)-N-[(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl]propanamide
-
-
3-(dibutylsulfamoyl)-N-[(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl]propanamide
-
-
3-(dipropylsulfamoyl)-N-[(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl]propanamide
-
-
3-(heptan-4-ylsulfonyl)-N-[(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl]propanamide
-
-
3-carbamoyl-1-[(3-m-tolylcarbamoyl-phenylcarbamoyl)-methyl]-pyridinium chloride
-
44% inhibition at 0.05 mM
3-carbamoyl-1-[(3-p-tolylcarbamoyl-phenylcarbamoyl)-methyl]-pyridinium chloride
-
69% inhibition at 0.05 mM
3-carbamoyl-1-[[3-(4-chloro-phenylcarbamoyl)-phenylcarbamoyl]-methyl]-pyridinium chloride
-
64% inhibition at 0.05 mM
3-carbamoyl-1-[[3-(4-methoxy-phenylcarbamoyl)-phenylcarbamoyl]-methyl]-pyridinium chloride
-
complete inhibition at 0.05 mM
3-carbamoyl-1-[[3-(4-methoxy-phenylsulfamoyl)-phenylcarbamoyl]-methyl]-pyridinium chloride
-
34% inhibition at 0.05 mM
3-carbamoyl-1-[[3-(4-methyl-benzoylamino)-phenylcarbamoyl]-methyl]-pyridinium chloride
-
24% inhibition at 0.05 mM
3-carbamoyl-1-[[3-(toluene-4-sulfonylamino)-phenylcarbamoyl]-methyl]-pyridinium chloride
-
4% inhibition at 0.05 mM
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
-
-
3-phenethylcarbamoyl-1-[(3-m-tolylcarbamoyl-phenylcarbamoyl)-methyl]-pyridinium chloride
-
58% inhibition at 0.05 mM
3-phenethylcarbamoyl-1-[(3-p-tolylcarbamoyl-phenylcarbamoyl)-methyl]-pyridinium chloride
-
72% inhibition at 0.05 mM
3-phenethylcarbamoyl-1-[[3-(toluene-4-sulfonylamino)-phenylcarbamoyl]-methyl]-pyridinium chloride
-
36% inhibition at 0.05 mM
3-[(2H-tetrazol-5-ylcarbonyl)amino]-L-alanyl-L-valyl-N-((1S,2R)-1-benzyl-3-[(3,5-di-2H-tetrazol-5-ylphenyl)amino]-2-hydroxy-3-oxopropyl)-L-leucinamide
3-[(2H-tetrazol-5-ylcarbonyl)amino]-L-alanyl-L-valyl-N-((1S,2R)-1-benzyl-3-[(3,5-dicarboxyphenyl)amino]-2-hydroxy-3-oxopropyl)-L-leucinamide
3-[(2H-tetrazol-5-ylcarbonyl)amino]-L-alanyl-L-valyl-N-((1S,2R)-1-benzyl-3-[(3-carbamoylphenyl)amino]-2-hydroxy-3-oxopropyl)-L-leucinamide
-
0.0002 mM, 78.1% inhibition
3-[(2H-tetrazol-5-ylcarbonyl)amino]-L-alanyl-L-valyl-N-((1S,2R)-1-benzyl-3-[(3-carboxyphenyl)amino]-2-hydroxy-3-oxopropyl)-L-leucinamide
3-[(2H-tetrazol-5-ylcarbonyl)amino]-L-alanyl-L-valyl-N-[(1S,2R)-1-benzyl-2-hydroxy-3-oxo-3-([3-(2H-tetrazol-5-yl)phenyl]amino)propyl]-L-leucinamide
3-[(2H-tetrazol-5-ylcarbonyl)amino]-L-alanyl-L-valyl-N-[(1S,2R)-1-benzyl-2-hydroxy-3-oxo-3-([3-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]amino)propyl]-L-leucinamide
-
0.0002 mM, 94.2% inhibition, IC50: 6.6 nM
3-[(2H-tetrazol-5-ylcarbonyl)amino]-L-alanyl-L-valyl-N-[(1S,2R)-1-benzyl-2-hydroxy-3-oxo-3-([3-(5-thioxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]amino)propyl]-L-leucinamide
-
0.0002 mM, 97.2% inhibition, IC50: 6.4 nM
3-[(2H-tetrazol-5-ylcarbonyl)amino]alanyl-L-valyl-N-(1-benzyl-2-hydroxy-3-oxo-3-[[3-(2H-tetrazol-5-yl)phenyl]amino]propyl)leucinamide
-
-
3-[(2H-tetrazol-5-ylcarbonyl)amino]alanyl-L-valyl-N-[1-benzyl-3-[(3,5-di-2H-tetrazol-5-ylphenyl)amino]-2-hydroxy-3-oxopropyl]leucinamide
-
-
3-[2-amino-6-(phenylcarbonyl)quinazolin-3(4H)-yl]-N-cyclohexyl-N-methylpropanamide
-
-
3-[5-[(1R)-1-amino-1-methyl-2-phenylethyl]-1,3,4-oxadiazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]benzamide
-
-
3-[[(5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)carbonyl]amino]alanyl-L-valyl-N-[(1S)-1-benzyl-2-hydroxy-3-oxo-3-[[3-(2H-tetrazol-5-yl)phenyl]amino]propyl]phenylalaninamide
-
-
3-[[2-amino-6-([2-(2-chlorophenyl)-5-[4-(pentyloxy)phenyl]-1H-pyrrol-1-yl]methyl)pyridin-3-yl]amino]propan-1-ol
-
-
3-[[2-amino-6-([2-(2-chlorophenyl)-5-[4-(pentyloxy)phenyl]-1H-pyrrol-1-yl]methyl)pyridin-3-yl]oxy]propan-1-ol
-
47% inhibition at 0.0125 mM
4',5,7-trimethoxyflavone
-
4-(2-amino-6-phenoxyquinazolin-3(4H)-yl)-N,4-dicyclohexyl-N-methylbutanamide
-
-
4-(4-[1-[(6-aminopyridin-2-yl)methyl]-5-(2-chlorophenyl)-1H-pyrrol-2-yl]phenoxy)butanenitrile
-
-
4-(cyclohexylamino)-1-(4-fluorobenzyl)-8-[(2'-methylbiphenyl-4-yl)methyl]-1,3,8-triazaspiro[4.5]dec-3-en-2-one
-
-
4-(dipropylsulfamoyl)-N-[(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl]butanamide
-
-
4-bromo-N-[(4-bromophenyl)sulfonyl]-N-[1-(3,4-dichlorobenzyl)-1H-pyrazol-4-yl]benzenesulfonamide
-
50% inhibition at 0.1 mM
4-fluoro-1-(pyridin-4-yl)-1-[3-(pyrimidin-5-yl)phenyl]-1H-isoindol-3-amine
i.e. AZ2000. Inhibitor with improved brain disposition, reduces amyloid beta levels in both brain and periphery already after acute dosing. Mice heterozygous for BACE1, display a 62% reduction in plasma amyloid beta40 levels, whereas brain amyloid beta40 is only lowered by 11%
4-[1-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethyl]-1-methyl-1H-imidazol-2-amine
-
-
4-[1-[(6-aminopyridin-2-yl)methyl]-5-phenyl-1H-pyrrol-2-yl]-N-(prop-2-en-1-yl)benzamide
-
6.2% inhibition at 0.0125 mM
4-[1-[(6-aminopyridin-2-yl)methyl]-5-phenyl-1H-pyrrol-2-yl]-N-(propan-2-yl)benzamide
-
6.58% inhibition at 0.0125 mM
4-[1-[(6-aminopyridin-2-yl)methyl]-5-phenyl-1H-pyrrol-2-yl]-N-butylbenzamide
-
45% inhibition at 0.0125 mM
4-[1-[(6-aminopyridin-2-yl)methyl]-5-phenyl-1H-pyrrol-2-yl]-N-cyclobutylbenzamide
-
38.4% inhibition at 0.0125 mM
4-[1-[(6-aminopyridin-2-yl)methyl]-5-phenyl-1H-pyrrol-2-yl]-N-cyclopropylbenzamide
-
10.6% inhibition at 0.0125 mM
4-[1-[(6-aminopyridin-2-yl)methyl]-5-phenyl-1H-pyrrol-2-yl]-N-ethylbenzamide
-
36% inhibition at 0.0125 mM
4-[1-[(6-aminopyridin-2-yl)methyl]-5-phenyl-1H-pyrrol-2-yl]-N-propylbenzamide
-
28% inhibition at 0.0125 mM
4-[2-(2,6-diethylpyridin-4-yl)-5-(pyrimidin-5-yl)phenyl]-1-methyl-4,5-dihydro-1H-imidazol-2-amine
-
4-[2-(2-methoxy-5-nitrophenyl)-1-(4-methoxyphenyl)ethyl]-1-methyl-1H-imidazol-2-amine
-
-
4-[4-fluoro-5-methoxy-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-yl]-1-methyl-1H-imidazol-2-amine
-
highly active BACE-1 inhibitor
4-[5-methoxy-2-(2-methoxy-5-nitrophenyl)-2,3-dihydro-1H-inden-1-yl]-1-methyl-1H-imidazol-2-amine
-
-
4-[5-methoxy-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-yl]-1-methyl-1H-imidazol-2-amine
-
-
4-[8-benzyl-4-(cyclohexylamino)-2-oxo-1,3,8-triazaspiro[4.5]dec-3-en-1-yl]benzamide
-
-
4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
-
5-[(E)-benzylideneamino]-6-methoxy-N4-phenylpyrimidine-2,4-diamine
-
5-[(E)-[(2,4,-diclorophenyl)methylidene]amino]-6-methoxy-N4-phenylpyrimidine-2,4-diamine
-
5-[(E)-[(2-chlorophenyl)methylidene]amino]-6-methoxy-N4-phenylpyrimidine-2,4-diamine
-
5-[2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-5-oxo-4,5-dihydro-1H-imidazol-4-yl]biphenyl-2-carbonitrile
-
5-[2-amino-4-(biphenyl-3-yl)-1-methyl-5-oxo-4,5-dihydro-1H-imidazol-4-yl]-2-methoxybenzonitrile
-
6,7-furano-5,8a-dimethoxy hydrocoumaric acid methyl ester
-
inhibits 57.2% of the BACE1 activity at a concentration of 1 mM
6,7-furano-5-methoxy hydrocoumaric acid
-
-
6,7-furano-5-methoxy hydrocoumaric acid methyl ester
-
-
6,7-furano-5-prenyloxy hydrocoumaric acid
-
-
6,7-furano-5-prenyloxy hydrocoumaric acid methyl ester
-
-
6,7-furano-8,8a-dimethoxy hydrocoumaric acid methyl ester
-
inhibits 48.3% of the BACE1 activity at a concentration of 1 mM
6,7-furano-8-methoxy hydrocoumaric acid
-
-
6,7-furano-8-methoxy hydrocoumaric acid methyl ester
-
inhibits 36.4% of the BACE1 activity at a concentration of 1 mM
6,7-furano-8a-methoxy-5-prenyloxy hydrocoumaric acid
-
-
6,7-furano-8a-methoxy-5-prenyloxy hydrocoumaric acid methyl ester
-
competitive-type inhibitor
6-([2-(2-chlorophenyl)-5-[4-(1,3-thiazol-2-yloxy)phenyl]-1H-pyrrol-1-yl]methyl)pyridin-2-amine
-
3.4% inhibition at 0.0125 mM
6-([2-(2-chlorophenyl)-5-[4-(hexyloxy)phenyl]-1H-pyrrol-1-yl]methyl)pyridin-2-amine
-
13% inhibition at 0.0125 mM
6-([2-(2-chlorophenyl)-5-[4-(pentyloxy)phenyl]-1H-pyrrol-1-yl]methyl)pyridin-2-amine
-
31% inhibition at 0.0125 mM
6-([2-(2-chlorophenyl)-5-[4-(pyrazin-2-yloxy)phenyl]-1H-pyrrol-1-yl]methyl)pyridin-2-amine
-
46.6% inhibition at 0.0125 mM
6-([2-(2-chlorophenyl)-5-[4-(pyridazin-3-yloxy)phenyl]-1H-pyrrol-1-yl]methyl)pyridin-2-amine
-
10.4% inhibition at 0.0125 mM
6-([2-(2-chlorophenyl)-5-[4-(pyridin-2-yloxy)phenyl]-1H-pyrrol-1-yl]methyl)pyridin-2-amine
-
6.61% inhibition at 0.0125 mM
6-([2-(2-chlorophenyl)-5-[4-(pyridin-3-yloxy)phenyl]-1H-pyrrol-1-yl]methyl)pyridin-2-amine
-
7.1% inhibition at 0.0125 mM
6-([2-(2-chlorophenyl)-5-[4-(pyridin-4-yloxy)phenyl]-1H-pyrrol-1-yl]methyl)pyridin-2-amine
-
7.22% inhibition at 0.0125 mM
6-([2-(2-chlorophenyl)-5-[4-(pyrimidin-2-yloxy)phenyl]-1H-pyrrol-1-yl]methyl)pyridin-2-amine
-
9.7% inhibition at 0.0125 mM
6-fluoro-2-(3-(7-fluoroimidazo[1,2-a]pyridin-2-yl)phenyl)-1H-benzo[d]imidazole
inhibitor of BACE1, EC 3.4.23.46. 200fold more effective on BACE1 than BACE2
6-fluoro-2-(3-(imidazo[1,2-a]pyridin-2-yl)phenyl)-1H-benzo-[d]imidazole
inhibitor of BACE1, EC 3.4.23.46. 100fold more effective on BACE1 than BACE2
6-methoxy-5-[(E)-(4-methylbenzylidene)amino]-N4-phenylpyrimidine-2,4-diamine
-
6-methoxy-5-[(E)-[(2-nitrophenyl)methylidene]amino]-N4-phenylpyrimidine-2,4-diamine
-
6-methoxy-N4-phenyl-5-[(E)-[4-(trifluoromethyl)benzylidene]amino]pyrimidine-2,4-diamine
-
6-[(2,5-diphenyl-1H-pyrrol-1-yl)methyl]pyridin-2-amine
-
15% inhibition at 0.0125 mM
6-[(3R,4S)-3-benzyl-4-hydroxy-5-oxo-5-[[3-(2H-tetrazol-5-yl)phenyl]amino]pentanoyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-oxo-4H-pyran-2-carboxamide
76% inhibition at 2 microM
6-[[2-(2-chlorophenyl)-5-(4-methoxyphenyl)-1H-pyrrol-1-yl]methyl]pyridin-2-amine
-
30% inhibition at 0.0125 mM
6-[[2-(2-chlorophenyl)-5-(4-phenoxyphenyl)-1H-pyrrol-1-yl]methyl]pyridin-2-amine
-
16% inhibition at 0.0125 mM
6-[[2-(2-chlorophenyl)-5-(4-propoxyphenyl)-1H-pyrrol-1-yl]methyl]pyridin-2-amine
-
48% inhibition at 0.0125 mM
6-[[2-(4-butoxyphenyl)-5-(2-chlorophenyl)-1H-pyrrol-1-yl]methyl]pyridin-2-amine
-
31% inhibition at 0.0125 mM
7-phloroethol
-
significant BACE1 inhibition in a dose-dependent manner
8,8-diphenyl-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine
-
-
8-(biphenyl-4-ylmethyl)-4-(cyclohexylamino)-1-(4-fluorobenzyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one
-
-
8-benzyl-4-(cyclohexylamino)-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one
-
-
8-C-glucosyl-(R)-aloesol
-
39.2% inhibition at 0.1 mM
8-C-glucosyl-7-methoxy-(R)-aloesol
-
26.8% inhibition at 0.1 mM
8-C-glucosyl-7-O-methylaloediol
-
-
AD115
-
a fragment of Gleevec
AD28
-
a fragment of Gleevec
AD94
-
a fragment of Gleevec
AD95
-
a fragment of Gleevec, strong inhibition
Allocryptopine
26.18% inhibition at 0.005 mM
aloeresin D
-
71.5% inhibition at 0.1 mM
aloesin
-
37.5% inhibition at 0.1 mM
BACEi-II
-
inhibition may protect neurons from death induced by okadaic acid
benzyl 1-(3-acetoxypropyl)-5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-2,4,6-trimethyl-1,4-dihydropyridine-3-carboxylate
-
-
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
-
-
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
-
-
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
-
-
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
-
-
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
-
-
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
-
-
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
-
-
benzyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-2,4,6-trimethyl-1-(methylsulfonyl)-1,4-dihydropyridine-3-carboxylate
-
-
benzyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-2,6-dimethyl-1-(methylsulfonyl)-4-phenyl-1,4-dihydropyridine-3-carboxylate
-
-
benzyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-2,6-dimethyl-1-(methylsulfonyl)-4-propyl-1,4-dihydropyridine-3-carboxylate
-
-
benzyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-4-ethyl-2,6-dimethyl-1-(methylsulfonyl)-1,4-dihydropyridine-3-carboxylate
-
-
benzyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-4-isopropyl-2,6-dimethyl-1-(methylsulfonyl)-1,4-dihydropyridine-3-carboxylate
-
-
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
-
-
benzyl [2-([1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl]amino)-2-oxo-1-[[(1-propylbutyl)sulfonyl]methyl]ethyl]carbamate
-
-
beta-secretase inhibitor IV
-
complete inhibition at 0.001 mM
beta-secretase inhibitor-II
-
-
C-2'-decoumaroyl-aloeresin G
-
72.0% inhibition at 0.1 mM
CA074Me
-
treatment of London APP transgenic mouse model of Alzheimer's disease that expresses human amyloid precursor protein containing the wild-type beta-secretase site results in substantial improvement in memory deficit assessed by the Morris water maze test. Improved memory function is accompanied by reduced amyloid plaque load, decreased amyloid beta40 and amyloid beta42, and reduced C-terminal beta-secretase fragment derived from amyloid precursor protein by beta-secretase. Inhibitor has no effects on any of these parameters in mice expressing the Swedish mutant beta-secretase site of amyloid precursor protein
chitosan oligosaccharide
IC50 of 0.098 mg/ml
cis-4-[(13S)-15-amino-13-cyclohexyl-11-oxo-2-oxa-10,14,16-triazatetracyclo[12.5.3.1(3,7).0(17,21)]tricosa-1(19),3(23),4,6,15,17,20-heptaen-10-yl]cyclohexanecarboxylic acid
-
-
deoxyneocryptotanshinone
mixed-type inhibition
dieckol
-
significant BACE1 inhibition in a dose-dependent manner
dioxinodehydroeckol
-
significant BACE1 inhibition in a dose-dependent manner
E64d
-
treatment of London APP transgenic mouse model of Alzheimer's disease that expresses human amyloid precursor protein containing the wild-type beta-secretase site results in substantial improvement in memory deficit assessed by the Morris water maze test. Improved memory function is accompanied by reduced amyloid plaque load, decreased amyloid beta40 and amyloid beta42, and reduced C-terminal beta-secretase fragment derived from amyloid precursor protein by beta-secretase. Inhibitor has no effects on any of these parameters in mice expressing the Swedish mutant beta-secretase site of amyloid precursor protein
eckol
-
significant BACE1 inhibition in a dose-dependent manner
EMD 565788
-
specific BACE1 inhibitor
ethyl 4-[[(1R,4S,5R,7R)-3,4-dibenzyl-2-thioxo-6,8-dioxa-3-azabicyclo[3.2.1]oct-7-yl]carbonyl]piperazine-1-carboxylate
9% inhibition at 0.01 mM
ethyl 4-[[(1R,5R,7R)-3-benzyl-2-thioxo-6,8-dioxa-3-azabicyclo[3.2.1]oct-7-yl]carbonyl]piperazine-1-carboxylate
29% inhibition at 0.01 mM
heparin
-
leads to increased autocatalytic cleavage of beta-secretase and a subsequent loss of enzyme activity in vitro
heparin sulfate
-
heparin sulfate analogue derived from porcine mucosal intestinal heparin are effective beta-secretase inhibitors, but have negligible activity as anticoagulants or as inhibitors of other aspartyl proteases structurally related to beta-secretase. The structure of the polysaccharide is important for the interaction with beta-secretase, not simply the level of sulfation or charge
isopropyl 2-(3-((2S,3R)-3-hydroxy-4-(3-methoxyphenylamino)-1-phenylbutan-2-ylcarbamoyl)-5-((R)-1-phenylethylcarbamoyl)-4-propylpyridin-1(4H)-yl)acetate
-
-
isopropyl 2-(3-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-4-methyl-5-((R)-1-phenylethylcarbamoyl)pyridin-1(4H)-yl) acetate
-
-
isopropyl 2-(3-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-5-((R)-1-phenylethylcarbamoyl)-4-propylpyridin-1(4H)-yl)acetate
-
-
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
-
-
isopropyl 2-(3-acetyl-5-((2S,3R)-3-hydroxy-4-(3-methoxybenzylamino)-1-phenylbutan-2-ylcarbamoyl)-2,4-dimethylpyridin-1(4H)-yl)acetate
-
-
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
-
-
isopropyl 2-(3-acetyl-5-((2S,3R)-4-(3-fluorophenylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-2,4,6-trimethylpyridin-1(4H)-yl)acetate
-
-
isopropyl 2-(3-acetyl-5-((2S,3R)-4-(3-fluorophenylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-2,4-dimethylpyridin-1(4H)-yl)acetate
-
-
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
-
-
isopropyl 2-(3-acetyl-5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-2,4,6-trimethylpyridin-1(4H)-yl)acetate
-
-
isopropyl 2-(3-acetyl-5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-2,6-dimethyl-4-propylpyridin-1(4H)-yl)acetate
-
-
KTEETSEVN(statine)VAEF
i.e. P10-P40 StatVal, activity completely abolished using saturating dose of 2.1 microM of the inhibitor, cleavage products of beta-secretase measured by fluoresence assay
kuwanon
-
prenylated flavone from the stem bark of Morus lhou, noncompetitive
kuwanon A
-
prenylated flavone from the stem bark of Morus lhou, noncompetitive
L-alpha-glutamyl-L-leucyl-N-[(2S,5S,8S,14R)-2-carboxy-5-(carboxymethoxy)-13-hydroxy-11,16-dimethyl-13-oxido-4,7,10-trioxo-1-phenyl-8-(propan-2-yl)-3,6,9-triaza-13-lambda5-phosphaheptadecan-14-yl]-L-alpha-asparagine
-
-
L-alpha-glutamyl-L-valyl-N-((1S,2R)-1-benzyl-3-[(3,5-di-2H-tetrazol-5-ylphenyl)amino]-2-hydroxy-3-oxopropyl)-L-leucinamide
-
0.002 mM, 99.7% inhibition
L-alpha-glutamyl-L-valyl-N-((1S,2R)-1-benzyl-3-[(3,5-dicarboxyphenyl)amino]-2-hydroxy-3-oxopropyl)-L-leucinamide
-
0.002 mM, 98.3% inhibition
L-alpha-glutamyl-L-valyl-N-((1S,2R)-1-benzyl-3-[(3-carbamoylphenyl)amino]-2-hydroxy-3-oxopropyl)-L-leucinamide
-
0.002 mM, 29.2% inhibition; 0.002 mM, 62.1% inhibition
L-alpha-glutamyl-L-valyl-N-((1S,2R)-1-benzyl-3-[(3-carboxyphenyl)amino]-2-hydroxy-3-oxopropyl)-L-leucinamide
-
0.002 mM, 83.7% inhibition
L-alpha-glutamyl-L-valyl-N-[(1S,2R)-1-benzyl-2-hydroxy-3-([3-(4-methyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)phenyl]amino)-3-oxopropyl]-L-leucinamide
-
0.002 mM, 74.2% inhibition
L-alpha-glutamyl-L-valyl-N-[(1S,2R)-1-benzyl-2-hydroxy-3-oxo-3-([3-(2H-tetrazol-5-yl)phenyl]amino)propyl]-L-leucinamide
-
0.002 mM, 92.2% inhibition
L-alpha-glutamyl-L-valyl-N-[(1S,2R)-1-benzyl-2-hydroxy-3-oxo-3-([3-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]amino)propyl]-L-leucinamide
-
0.002 mM, 94.4% inhibition
L-alpha-glutamyl-L-valyl-N-[(1S,2R)-1-benzyl-2-hydroxy-3-oxo-3-([3-(5-oxo-4,5-dihydro-1,2,4-thiadiazol-3-yl)phenyl]amino)propyl]-L-leucinamide
-
0.002 mM, 91.9% inhibition
L-alpha-glutamyl-L-valyl-N-[(1S,2R)-1-benzyl-2-hydroxy-3-oxo-3-([3-(5-thioxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]amino)propyl]-L-leucinamide
-
-
luteolin
-
isolated from methanolic extracts of Perilla frutescens
Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn-(statine)-Val-Ala-Glu-Phe-OH
-
-
Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn-Sta-Val-Ala-Glu-Phe
-
complete inhibition at 0.1 mM
Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn-[statine(3S,4S)]-Val-Ala-Glu-Phe-OH
-
-
magnesium lithospermate
-
methyl (1R,4S,5R,7R)-3,4-dibenzyl-2-thioxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylate
16% inhibition at 0.01 mM
methyl (1R,5R,7R)-3-benzyl-2-thioxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylate
16% inhibition at 0.01 mM
methyl (1S,4R,5S,7S)-3,4-dibenzyl-2-thioxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylate
16% inhibition at 0.01 mM
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
-
-
morusin
-
prenylated flavone from the stem bark of Morus lhou, noncompetitive
N'-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-iodobenzyl)amino]butan-2-yl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
-
-
N'-[(2S,3R)-3-hydroxy-4-([(2S,3S)-3-hydroxy-1-[(2-methylpropyl)amino]-1-oxobutan-2-yl]amino)-1-phenylbutan-2-yl]-N,5-dimethyl-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
-
N'-[(2S,3R)-3-hydroxy-4-([(2S,3S)-3-hydroxy-1-[(2-methylpropyl)amino]-1-oxobutan-2-yl]amino)-1-phenylbutan-2-yl]-N-methyl-5-[methyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
-
N'-[(2S,3R)-3-hydroxy-4-([(2S,3S)-3-hydroxy-1-[(2-methylpropyl)amino]-1-oxohexan-2-yl]amino)-1-phenylbutan-2-yl]-N,5-dimethyl-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
-
N'-[(2S,3R)-3-hydroxy-4-([(2S,3S)-3-hydroxy-1-[(2-methylpropyl)amino]-1-oxohexan-2-yl]amino)-1-phenylbutan-2-yl]-N-methyl-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
-
N'-[(2S,3R)-3-hydroxy-4-[(3-iodobenzyl)amino]-1-phenylbutan-2-yl]-N,N-dipropylbenzene-1,3-dicarboxamide
-
-
N'-[(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl]-N,5-dimethyl-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
-
N'-[(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl]-N,N-dipropylbenzene-1,3-dicarboxamide
-
-
N,N'-bis(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2,2,3,3,4,4,5,5-octafluorohexanediamide
-
87% inhibition at 0.1 mM
N- [N-(3,5-difluorophenacetyl-L-alanyl)]-S-phenylglycine tert-butyl ester
-
complete inhibition at 0.1 mM
N-((1S,2R)-1-benzyl-3-cyclopropylamino-2-hydroxy-propyl)-5-(methanesulfonyl-methyl-amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide
N-((4aRS,6RS,8aSR)-2-amino-5,6,7,8-tetrahydro-4H-4a,8a-(methanooxymethano)benzo[d][1,3]thiazin-6-yl)-3-chlorobenzamide
-
N-(2-amino-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-6-yl)-3-chlorobenzamide
-
N-(2-amino-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-6-yl)-5-fluoropyridine-2-carboxamide
-
N-(2-amino-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-6-yl)benzamide
-
N-(2-methyl-5-[(6-phenylpyrimidin-4-yl)amino]phenyl)methanesulfonamide
-
-
N-(2-methylpropyl)-N2-([17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.16,10]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl)-L-norleucinamide
-
-
N-(3-((4R,5R)-2-amino-5-methoxy-4-methyl-5,6-dihydro-4H-1,3-thiazin-4-yl)-4-fluorophenyl)-5-(fluoromethoxy)pyrazine-2-carboxamide
-
N-(3-((4S,5R)-2-amino-4-methyl-5-(tetrahydro-2H-pyran-4-yl)-5,6-dihydro-4H-1,3-thiazin-4-yl)-4-fluorophenyl)-5-(fluoromethoxy)pyrazine-2-carboxamide
-
N-(3-((4S,5R)-2-amino-4-methyl-5-phenyl-5,6-dihydro-4H-1,3-thiazin-4-yl)-4-fluorophenyl)-5-(fluoromethoxy)pyrazine-2-carboxamide
-
N-(3-((4S,5S)-2-amino-4-methyl-5-phenyl-5,6-dihydro-4H-1,3-thiazin-4-yl)-4-fluorophenyl)-5-(fluoromethoxy)pyrazine-2-carboxamide
-
N-(4-(3-bromophenyl)thiazol-2-yl)-2-((5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl)thio)acetamide
90.4% inhibition at 0.05 mM
N-(4-(4-acetamido-3,5-dichlorophenyl)thiazol-2-yl)-2-((5-cyano-4-(3-ethoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl)thio)acetamide
4.7% inhibition at 0.05 mM
N-(4-(4-acetamido-3,5-dichlorophenyl)thiazol-2-yl)-2-((5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl)thio)acetamide
1.4% inhibition at 0.05 mM
N-(4-(4-amino-3,5-dichlorophenyl)-1H-imidazol-2-yl)-2-((5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl)thio)acetamide
87.7% inhibition at 0.01 mM
N-(4-(4-amino-3,5-dichlorophenyl)thiazol-2-yl)-2-((5-cyano-4-(3-ethoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl)thio)acetamide
79.9% inhibition at 0.05 mM
N-(4-(4-amino-3,5-dichlorophenyl)thiazol-2-yl)-2-((5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl)thio)acetamide
91.8% inhibition at 0.05 mM
N-(4-(4-amino-3,5-dichlorophenyl)thiazol-2-yl)-2-((5-cyano-6-oxo-4-(3-(trifluoromethoxy)phenyl)-1,6-dihydropyrimidin-2-yl)thio)acetamide
39.6% inhibition at 0.05 mM
N-(4-(4-amino-3,5-dichlorophenyl)thiazol-2-yl)-2-((5-cyano-6-oxo-4-(3-(trifluoromethyl)phenyl)-1,6-dihydropyrimidin-2-yl)thio)acetamide
86.1% inhibition at 0.05 mM
N-(4-([4-(cyclohexylamino)-1-(3-fluorophenyl)-2-oxo-1,3,8-triazaspiro[4.5]dec-3-en-8-yl]methyl)phenyl)acetamide
-
-
N-(4-fluorophenyl)-11-oxo-10,11-dihydro-5H-dibenzo[b,e]-[1,4]diazepine-3-carboxamide
-
-
N-(4-[1-[(6-aminopyridin-2-yl)methyl]-5-(2-chlorophenyl)-1H-pyrrol-2-yl]phenyl)pyrimidin-5-amine
-
9.8% inhibition at 0.0125 mM
N-(5-([6-(4-(N,N-dimethyl)aminophenyl)pyrimidin-4-yl]amino)-2-methylphenyl)-N-methylmethanesulfonamide
-
-
N-(5-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-yl]amino]-2-methylphenyl)-N-methylmethanesulfonamide
-
-
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
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
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
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
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
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
N-(tert-butoxycarbonyl)valyl-N-[(2S,4R)-2-hydroxy-4-methyl-5-([(1S)-2-methyl-1-[(1-methylethyl)carbamoyl]propyl]amino)-1-(2-methylpropyl)-5-oxopentyl]-L-methioninamide
-
-
N-acetyl-beta-alanyl-3-(butylsulfonyl)-N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]-D-alaninamide
-
-
N-acetyl-L-alanyl-N-[(4S,5S,7R)-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxooctan-4-yl]-L-methioninamide
-
-
N-acetyl-L-leucyl-N-[(4S,5S,7R)-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxooctan-4-yl]-L-alaninamide
-
-
N-acetyl-L-leucyl-N-[(4S,5S,7R)-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxooctan-4-yl]-L-methioninamide
-
-
N-acetyl-L-valyl-N-[(4S,5S,7R)-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxooctan-4-yl]-L-methioninamide
-
-
N-benzyloxycarbonyl-Val-Leu-leucinal
-
-
N-[(1R,2S)-1-benzyl-2-hydroxy-3-[[3-(trifluoromethyl)benzyl]amino]propyl]-3-(1,1-dioxido-1,2-thiazinan-2-yl)-5-(ethylamino)-2-fluorobenzamide
-
-
N-[(1S)-1-[(butylsulfonyl)methyl]-2-([1-(3,5-difluorobenzyl)-3-[(3-ethylbenzyl)amino]-2-hydroxypropyl]amino)-2-oxoethyl]benzamide
-
-
N-[(1S,2R)-1-benzyl-2-hydroxy-3-[(3-ethoxybenzyl)amino]propyl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
N-[(1S,2R,4R)-4-((S)-1-benzylcarbamoyl-2-methylpropylcarbamoyl)-1-(3,5-difluoro-phenoxymethyl)-2-hydroxy-4-methoxy-butyl]-5-(methanesulfonyl-methyl-amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide
-
N-[(1S,2S)-1-benzyl-2-hydroxy-3-oxo-3-[[3-(2H-tetrazol-5-yl)phenyl]amino]propyl]-4-oxo-6-[[(4S)-4-phenyl-1,3-oxazolidin-3-yl]carbonyl]-1,4-dihydropyridine-2-carboxamide
i.e. KMI-1030, BACE1 inhibitors with a 5-membered ring at the P3 position and their BACE1 inhibitory activities summarized
N-[(1S,2S)-1-benzyl-2-hydroxy-3-oxo-3-[[3-(2H-tetrazol-5-yl)phenyl]amino]propyl]-4-oxo-6-[[(4S)-4-phenyl-1,3-oxazolidin-3-yl]carbonyl]-4H-pyran-2-carboxamide
i.e. KMI-1027, BACE1 inhibitors with a 5-membered ring at the P3 position and their BACE1 inhibitory activities summarized
N-[(1S,2S)-1-benzyl-2-hydroxy-3-oxo-3-[[3-(2H-tetrazol-5-yl)phenyl]amino]propyl]-6-[[(4S)-4-phenyl-1,3-oxazolidin-3-yl]carbonyl]pyridine-2-carboxamide
i.e. KMI-1023, BACE1 inhibitors with a 5-membered ring at the P3 position and their BACE1 inhibitory activities summarized
N-[(1S,2S,4R)-2-azido-4-((S)-1-benzylcarbamoyl-2-methyl-propylcarbamoyl)-1-(3,5-difluoro-phenoxymethyl)-4-methoxy-butyl]-5-(methanesulfonyl-methyl-amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide
-
N-[(1S,2S,4R)-4-((S)-1-benzylcarbamoyl-2-methylpropylcarbamoyl)-1-(3,5-difluoro-phenoxymethyl)-2-hydroxy-4-(2-methoxy-ethoxy)-butyl]-5-(methanesulfonyl-methylamino)-N'-((R)-1-phenyl-ethyl)-isophthalamide
-
N-[(1S,2S,4R)-4-((S)-1-benzylcarbamoyl-2-methylpropylcarbamoyl)-1-(3,5-difluoro-phenoxymethyl)-2-hydroxy-4-propyloxy-butyl]-5-(methanesulfonyl-methyl-amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide
-
N-[(1S,2S,4R)-4-((S)-1-benzylcarbamoyl-2-methylpropylcarbamoyl)-1-(3,5-difluoro-phenoxymethyl)-4-ethyloxy-2-hydroxy-butyl]-5-(methanesulfonyl-methyl-amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide
-
N-[(1S,2S,4R)-4-((S)-1-benzylcarbamoyl-2-methylpropylcarbamoyl)-2-amino-1-(3,5-difluoro-phenoxymethyl)-4-methoxy-butyl]-5-(methanesulfonyl-methyl-amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide
-
N-[(1S,2S,4R)-4-((S)-1-benzylcarbamoyl-2-methylpropylcarbamoyl)-4-allyloxy-1-(3,5-difluoro-phenoxymethyl)-2-hydroxy-butyl]-5-(methanesulfonyl-methyl-amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide
-
N-[(1S,2S,4R)-4-((S)-1-benzylcarbamoyl-2-methylpropylcarbamoyl)-4-benzyloxy-1-(3,5-difluoro-phenoxymethyl)-2-hydroxy-butyl]-5-(methanesulfonyl-methyl-amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide
-
N-[(1S,2S,4R)-4-((S)-1-benzylcarbamoyl-2-methylpropylcarbamoyl)-4-cyclopropylmethoxy-1-(3,5-difluorophenoxymethyl)-2-hydroxy-butyl]-5-(methanesulfonylmethyl-amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide
-
N-[(1S,4R)-4-((S)-1-benzylcarbamoyl-2-methylpropylcarbamoyl)-1-(3,5-difluoro-phenoxymethyl)-4-methoxybutyl]-5-(methanesulfonyl-methyl-amino)-N'-((R)-1-phenylethyl)-isophthalamide
-
N-[(1Z)-amino(butylamino)methylidene]-2-[2-(2-chlorophenyl)-5-(4-propoxyphenyl)-1H-pyrrol-1-yl]acetamide
-
-
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
-
-
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
-
-
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
-
-
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
-
-
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
-
-
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
-
-
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
-
-
N-[(2R)-2-amino-1-benzyl-3-fluoropropyl]-2-[[(2-methylcyclopropyl)methyl]amino]-6-[methyl[(1-methylethyl)sulfonyl]amino]pyridine-4-carboxamide
-
-
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
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
N-[(2S)-1-[[(2S,3S)-1-(butan-2-ylamino)-3-hydroxy-1-oxohexan-2-yl]amino]-3-phenylpropan-2-yl]-7-ethyl-1-methyl-3,4-dihydro-1H-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide 2,2-dioxide
compound designed specifically to interact with S1' active site residues to provide selectivity over memapsin 1 and cathepsin D. Inhibitor exhibits exceedingly potent inhibitory activity and high selectivity over BACE 2 and cathepsin D
N-[(2S)-1-[[(3S)-1-(butan-2-ylamino)-3-hydroxy-1-oxobutan-2-yl]amino]-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
compound designed specifically to interact with S1' active site residues to provide selectivity over memapsin 1 and cathepsin D. Inhibitor exhibits exceedingly potent inhibitory activity and high selectivity over BACE 2 and cathepsin D
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
-
-
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
-
-
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
-
-
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
-
-
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
-
-
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
-
-
N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-iodobenzyl)amino]butan-2-yl]-3-methylbenzamide
-
-
N-[(2S,3R)-3-hydroxy-4-([(2S,3S)-3-hydroxy-1-[(2-methylpropyl)amino]-1-oxobutan-2-yl]amino)-1-phenylbutan-2-yl]-5-methyl-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
-
N-[(2S,3R)-3-hydroxy-4-([(2S,3S)-3-hydroxy-1-[(2-methylpropyl)amino]-1-oxobutan-2-yl]amino)-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
-
N-[(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl]-3-(phenylsulfonyl)propanamide
-
-
N-[(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl]-3-(piperidin-1-ylsulfonyl)propanamide
-
-
N-[(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl]-3-[(3-methylbutyl)sulfamoyl]propanamide
-
-
N-[(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl]-3-[(3-methylbutyl)sulfonyl]propanamide
-
-
N-[(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl]-4-(phenylsulfonyl)butanamide
-
-
N-[(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl]-4-(piperidin-1-ylsulfonyl)butanamide
-
-
N-[(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
-
N-[(2S,3S)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-N'-[(1R)-1-(4-fluorophenyl)ethyl]-5-[(methylsulfonyl)amino]benzene-1,3-dicarboxamide
-
-
N-[(2S,3S,5R)-6-[[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]amino]-1-(3,5-difluorophenoxy)-3-hydroxy-5-methoxy-6-oxohexan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
-
N-[(2S,4R)-2-hydroxy-4-methyl-5-([(1S)-2-methyl-1-[(2-methylpropyl)carbamoyl]propyl]amino)-1-(2-methylpropyl)-5-oxopentyl]-5-[methyl(methylsulfonyl)amino]-N'-(1-phenylethyl)benzene-1,3-dicarboxamide
-
-
N-[(3S,6S,13R)-13-[(3-[[(2S)-1-[[(1S)-1-(carboxymethoxy)-2-[[(1S)-1-carboxy-2-phenylethyl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-methyl-3-oxopropyl)(hydroxy)phosphoryl]-3-(carboxymethyl)-2,5-dioxo-1,4-diazacyclotridecan-6-yl]-L-alpha-glutamine
-
-
N-[(4S)-4-[(1R)-1-hydroxy-2-([1-[3-(propan-2-yl)phenyl]cyclopropyl]amino)ethyl]-2-oxo-11-oxa-3,16-diazatricyclo[15.3.1.1(6,10)]docosa-1(21),6(22),7,9,17,19-hexaen-19-yl]-N-methylpropane-1-sulfonamide
-
-
N-[(4S)-4-[(1R)-1-hydroxy-2-[[3-(propan-2-yl)benzyl]amino]ethyl]-2-oxo-11-oxa-3,16-diazatricyclo[15.3.1.1(6,10)]docosa-1(21),6(22),7,9,17,19-hexaen-19-yl]-N-methylpropane-1-sulfonamide
-
-
N-[(4S,5S,7R)-2-[7-(1-benzylpiperidin-4-yl)]methylcarbamoyl-5-hydroxy-2-methyloct-4-yl]-N'-[(R)-1-(4-fluorophenyl)ethyl-5-methyl(methylsulfonyl)amino]isophthalamide
-
-
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
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
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
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
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
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
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
N-[(5R)-5-amino-5-methyl-4,16-dioxo-14-phenyl-3-oxa-15-azatricyclo[15.3.1.17,11]docosa-1(21),7(22),8,10,17,19-hexaen-19-yl]-N-methylmethanesulfonamide
-
-
N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino][(3-nitrophenyl)amino]methylidene]-10H-phenothiazine-10-carboxamide
-
80% inhibition at 0.1 mM
N-[1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-iodobenzyl)amino]propyl]-5-methyl-N'-propylbenzene-1,3-dicarboxamide
-
-
N-[1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl]-5-methyl-N'-propylbenzene-1,3-dicarboxamide
-
-
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(6-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-benzothiazol-2-yl)sulfanyl]acetamide
N-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide
-
N-[3-(2-amino-4-methyl-5,6-dihydro-4H-1,3-thiazin-4-yl)-4-fluorophenyl]-5-chloropyridine-2-carboxamide
-
N-[3-(9H-carbazol-9-yl)-2-hydroxypropyl]-3,4-dichloro-N-phenylbenzamide
-
N-[3-(9H-carbazol-9-yl)-2-hydroxypropyl]-4-methoxy-N-phenylbenzamide
-
N-[3-(9H-carbazol-9-yl)-2-hydroxypropyl]-N-(2-phenylethyl)benzamide
-
N-[3-[(4aS,5S,7aS)-2-amino-5-(trifluoromethyl)-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-4-fluorophenyl]-5-(1H-1,2,4-triazol-1-yl)pyrazine-2-carboxamide
-
N-[5-(2,3-dichlorobenzyl)-1,3-thiazol-2-yl]-4-([[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl]methyl)benzamide
-
78% inhibition at 0.1 mM
N1-((2S,3R)-3-hydroxy-1-phenyl-4-((3-(trifluoromethyl)benzyl)amino)butan-2-yl)-N3,5-dimethyl-N3-((R)-1-phenylethyl)isophthalamide
more than 500fold selectivity for BACE2 over BACE1
N1-((2S,3S)-4-(4-(diethylcarbamoyl)-1H-pyrazol-1-yl)-3-hydroxy-1-phenylbutan-2-yl)-N3-((R)-1-(4-fluorophenyl)ethyl)-5-(N-methylmethylsulfonamido)isophthalamide
compound exhibits good inhibition effects on amyloid beta production in the cell-based assay
N1-((R)-1-(4-fluorophenyl)ethyl)-N3-((2S,3S)-3-hydroxy-4-(4-((R)-1-hydroxy ethyl)-1H-1,2,3-triazol-1-yl)-1-phenylbutan-2-yl)-5-(N-methylmethylsulfonamido)isophthalamide
-
N1-[1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl]-N3-propylbenzene-1,3,5-tricarboxamide
-
-
N1-[1-(3,5-difluorobenzyl)-3-[(3-ethylbenzyl)amino]-2-hydroxypropyl]-N3-propylbenzene-1,3,5-tricarboxamide
-
-
N2-acetyl-3-(butylsulfonyl)-N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]-D-alaninamide
-
-
N2-[(2R,4S)-5-[[N-[[(2,5-dimethyl-1,3-oxazol-4-yl)methoxy]carbonyl]-3-(methylsulfonyl)-L-alanyl]amino]-4-hydroxy-2,7-dimethyloctanoyl]-N-(2-methylpropyl)-L-valinamide
-
-
N2-[(2R,4S)-5-[[N-[[(3,5-dimethyl-1H-pyrazol-1-yl)methoxy]carbonyl]-3-(methylsulfonyl)-L-alanyl]amino]-4-hydroxy-2,7-dimethyloctanoyl]-N-(2-methylpropyl)-L-valinamide
-
-
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
-
-
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
-
-
N3-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(1S,2S)-2-hydroxy-1-(isobutylcarbamoyl)pentyl]amino]propyl]-N1-methyl-N1-[(1R)-1-phenylpropyl]benzene-1,3-dicarboxamide
174000fold selectivity for BACE2 over BACE1
N3-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(1S,2S)-2-hydroxy-1-(isobutylcarbamoyl)propyl]amino]propyl]-5-[methyl(methylsulfonyl)amino]-N1-[(1R)-1-phenylpropyl]benzene-1,3-dicarboxamide
-
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
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
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
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
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
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
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
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
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
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
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
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
pepstatin A
-
less potent inhibitor
phlorofurofucoeckol-A
-
significant BACE1 inhibition in a dose-dependent manner
phloroglucinol
-
significant BACE1 inhibition in a dose-dependent manner
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
-
-
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
-
-
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
-
-
salvianolic acid A
competitive type inhibition
salvianolic acid C
mixed-type inhibition
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
-
-
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
-
-
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
-
-
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
tert-butyl [(2S)-3-[[(4S,5S,7R)-5-hydroxy-2,7-dimethyl-8-([(2S)-3-methyl-1-[(2-methylpropyl)amino]-1-oxobutan-2-yl]amino)-8-oxooctan-4-yl]amino]-3-oxo-2-[[(3aR,6aS)-3a,4,5,6a-tetrahydrofuro[3,2-d][1,2]oxazol-3-ylcarbonyl]amino]propyl]carbamate
-
tert-butyl [(2S)-3-[[(4S,5S,7R)-5-hydroxy-2,7-dimethyl-8-([(2S)-3-methyl-1-[(2-methylpropyl)amino]-1-oxobutan-2-yl]amino)-8-oxooctan-4-yl]amino]-3-oxo-2-[[(3aS,6aR)-3a,4,5,6a-tetrahydrofuro[3,2-d][1,2]oxazol-3-ylcarbonyl]amino]propyl]carbamate
-
trans-4-[(13S)-15-amino-13-cyclohexyl-11-oxo-2-oxa-10,14,16-triazatetracyclo[12.5.3.1(3,7).0(17,21)]tricosa-1(19),3(23),4,6,15,17,20-heptaen-10-yl]cyclohexanecarboxylic acid
-
-
triphloroethol A
-
significant BACE1 inhibition in a dose-dependent manner
Z-DEVD-FMK
-
caspase-3 inhibitor Z-DEVD-FMK reduces BACE1 mRNA and protein levels, and inhibits its protease activity, thereby decreasing the amount of amyloid precursor protein C99 and beta-amyloid in ischemic brains
[(1R,2R,4R,5S,6S)-2-hydroxy-7-sulfo-4-[(sulfooxy)methyl]-3-oxa-7-azabicyclo[4.1.0]hept-5-yl 2-O-sulfo-beta-D-glucopyranosiduronic acid]n
-
IC50: 0.000031 mg/ml
[(1R,4S,5R,7R)-3,4-dibenzyl-2-thioxo-6,8-dioxa-3-azabicyclo[3.2.1]oct-7-yl](morpholin-4-yl)methanone
61% inhibition at 0.01 mM
[(1R,5R,7R)-3-benzyl-2-thioxo-6,8-dioxa-3-azabicyclo[3.2.1]oct-7-yl](morpholin-4-yl)methanone
15% inhibition at 0.01 mM
[(1S,4R,5S,7S)-3,4-dibenzyl-2-thioxo-6,8-dioxa-3-azabicyclo[3.2.1]oct-7-yl](morpholin-4-yl)methanone
5% inhibition at 0.01 mM
[(1S,5S,6S)-3-amino-5-(2-fluoro-5-[(Z)-2-fluoro-2-[5-(prop-2-yn-1-yloxy)pyrazin-2-yl]ethenyl]phenyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-1-yl][(3R)-3-methylmorpholin-4-yl]methanone
-
[(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
[2-(acetylamino)-2-deoxy-4-O-(2-O-sulfo-beta-D-glucopyranuronosyl)-beta-D-glucopyranose]n
-
IC50: 0.00041 mg/ml
[2-(acetylamino)-2-deoxy-4-O-beta-D-glucopyranuronosyl-6-O-sulfo-beta-D-glucopyranose]n
-
IC50: 0.000091 mg/ml
[2-(acetylamino)-2-deoxy-6-O-sulfo-4-O-(2-O-sulfo-beta-D-glucopyranuronosyl)-beta-D-glucopyranose]n
-
IC50: 0.000031 mg/ml
[2-amino-2-deoxy-6-O-sulfo-4-O-(2-O-sulfo-beta-D-glucopyranuronosyl)-beta-D-glucopyranose]n
-
IC50: 0.000159 mg/ml
[2-deoxy-2-(butanoylamino)-6-O-sulfo-4-O-(2-O-sulfo-beta-D-glucopyranuronosyl)-beta-D-glucopyranose]n
-
IC50: 0.000055 mg/ml
[2-deoxy-2-(propanoylamino)-6-O-sulfo-4-O-(2-O-sulfo-beta-D-glucopyranuronosyl)-beta-D-glucopyranose]n
-
IC50: 0.000053 mg/ml
[2-deoxy-2-(sulfoamino)-4-O-(2-O-sulfo-beta-D-glucopyranuronosyl)-beta-D-glucopyranose]n
-
IC50: 0.0001 mg/ml
[2-deoxy-4-O-(2,3-di-O-sulfo-beta-D-glucopyranuronosyl)-6-O-sulfo-2-(sulfoamino)-beta-D-glucopyranose]n
-
IC50: 0.000053 mg/ml
[2-deoxy-6-O-sulfo-2-(sulfoamino)-4-O-(2-O-sulfo-beta-D-glucopyranuronosyl)-beta-D-glucopyranose]n
-
porcine mucosal intestinal heparin, IC50: 0.000028 mg/ml
[3-([1-benzyl-2-hydroxy-3-[(1-methylethyl)amino]propyl]carbamoyl)-5-[(1-phenylethyl)carbamoyl]phenyl]methylsulfamic acid
-
-
[3-([1-benzyl-2-hydroxy-3-[(3-methylbenzyl)amino]propyl]carbamoyl)-5-[[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]carbamoyl]phenyl]methylsulfamic acid
-
-
[3-[(1-[1-hydroxy-2-[(3-methoxybenzyl)amino]ethyl]-3-methylbutyl)carbamoyl]-5-[(1-phenylethyl)carbamoyl]phenyl]methylsulfamic acid
-
-
(2S)-2-((S)-3-acetamido-3-((R)-sec-butyl)-2-oxopyrrolidin-1-yl)-N-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((2R)-5-(propylsulfonyl)pyrrolidin-2-yl)propan-2-yl)-4-phenylbutanamide
EC50 value for HEK293 cells 5 nM, shows apical to basolateral permeability of <15 nm/s in the bi-directional Caco-2 model
(2S)-2-((S)-3-acetamido-3-((R)-sec-butyl)-2-oxopyrrolidin-1-yl)-N-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((2R)-5-(propylsulfonyl)pyrrolidin-2-yl)propan-2-yl)-4-phenylbutanamide
-
decreases amyloid beta1-40 in wild-type mice and has excellent blood/brain barrier penetration in the absence of P-glycoprotein, P-glycoprotein is the main factor limiting efficacy of this compound
(3S,14R,16S)-16-[(1R)-1-hydroxy-2-([3-(1-methylethyl)benzyl]amino)ethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5-dione
60fold preference for beta-secretase over cathepsin D
(3S,14R,16S)-16-[(1R)-1-hydroxy-2-([3-(1-methylethyl)benzyl]amino)ethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5-dione
-
inhibition of beta-secretase in the brain of amyloid precursor protein 51/16 transgenic mice after intravenous application
(3S,14R,16S)-16-[(1S)-2-[[(1R)-3,3-dimethyl-7-(1-methylethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-hydroxyethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5-dione
inhibitory similarly to beta-sectretase and cathepsin D
(3S,14R,16S)-16-[(1S)-2-[[(1R)-3,3-dimethyl-7-(1-methylethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-hydroxyethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5-dione
-
inhibition of beta-secretase in the brain of amyloid precursor protein 51/16 transgenic mice after oral application
(5S)-2-amino-5-[3-fluoro-5-(2-fluoropyridin-3-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-3-methyl-3,5-dihydro-4H-imidazol-4-one
aminohydantoin inhibitor, EC50 value in ELISA-assay 20 nM, and demonstrates more than 100fold selectivity for the other structurally related aspartyl proteases BACE2, cathepsinD, renin, and pepsin
(5S)-2-amino-5-[3-fluoro-5-(2-fluoropyridin-3-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-3-methyl-3,5-dihydro-4H-imidazol-4-one
-
aminohydantoin inhibitor, EC50 value in ELISA-assay 20 nM, and demonstrates more than 100fold selectivity for the other structurally related aspartyl proteases BACE2, cathepsinD, renin, and pepsin. Acute oral administration at 100 mg/kg results in a 69% reduction of plasma amyloid beta40 at 8 h in a Tg2576 mouse
2-amino-5-[3-(2-fluoropyridin-3-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-3-methyl-3,5-dihydro-4H-imidazol-4-one
-
-
2-amino-5-[3-(2-fluoropyridin-3-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-3-methyl-3,5-dihydro-4H-imidazol-4-one
-
3-[(2H-tetrazol-5-ylcarbonyl)amino]-L-alanyl-L-valyl-N-((1S,2R)-1-benzyl-3-[(3,5-di-2H-tetrazol-5-ylphenyl)amino]-2-hydroxy-3-oxopropyl)-L-leucinamide
-
0.0002 mM, complete inhibition, IC50: 1.2 nM
3-[(2H-tetrazol-5-ylcarbonyl)amino]-L-alanyl-L-valyl-N-((1S,2R)-1-benzyl-3-[(3,5-di-2H-tetrazol-5-ylphenyl)amino]-2-hydroxy-3-oxopropyl)-L-leucinamide
i.e. KMI-684, beta-secretase inhibitors with a hydroxymethylcarbonyl (HMC) isostere, inihbitory activities optimized
3-[(2H-tetrazol-5-ylcarbonyl)amino]-L-alanyl-L-valyl-N-((1S,2R)-1-benzyl-3-[(3,5-dicarboxyphenyl)amino]-2-hydroxy-3-oxopropyl)-L-leucinamide
-
0.0002 mM, 98.1% inhibition, IC50: 3.9 nM
3-[(2H-tetrazol-5-ylcarbonyl)amino]-L-alanyl-L-valyl-N-((1S,2R)-1-benzyl-3-[(3,5-dicarboxyphenyl)amino]-2-hydroxy-3-oxopropyl)-L-leucinamide
i.e. KMI-429, beta-secretase inhibitors with a hydroxymethylcarbonyl (HMC) isostere, inihbitory activities optimized
3-[(2H-tetrazol-5-ylcarbonyl)amino]-L-alanyl-L-valyl-N-((1S,2R)-1-benzyl-3-[(3-carboxyphenyl)amino]-2-hydroxy-3-oxopropyl)-L-leucinamide
-
0.002 mM, 87.1% inhibition, IC50: 8.2 nM
3-[(2H-tetrazol-5-ylcarbonyl)amino]-L-alanyl-L-valyl-N-((1S,2R)-1-benzyl-3-[(3-carboxyphenyl)amino]-2-hydroxy-3-oxopropyl)-L-leucinamide
i.e. KMI-420, beta-secretase inhibitors with a hydroxymethylcarbonyl (HMC) isostere, inihbitory activities optimized
3-[(2H-tetrazol-5-ylcarbonyl)amino]-L-alanyl-L-valyl-N-[(1S,2R)-1-benzyl-2-hydroxy-3-oxo-3-([3-(2H-tetrazol-5-yl)phenyl]amino)propyl]-L-leucinamide
-
0.0002 mM, 98.1% inhibition, IC50: 4.8 nM
3-[(2H-tetrazol-5-ylcarbonyl)amino]-L-alanyl-L-valyl-N-[(1S,2R)-1-benzyl-2-hydroxy-3-oxo-3-([3-(2H-tetrazol-5-yl)phenyl]amino)propyl]-L-leucinamide
i.e. KM-570, beta-secretase inhibitors with a hydroxymethylcarbonyl (HMC) isostere, inihbitory activities optimized
EVD(statine)VAEF
-
IC50: 0.000651 mM
EVD(statine)VAEF
-
IC50: 0.000603 mM
EVE(statine)VAEF
-
IC50: 0.00045 mM
EVE(statine)VAEF
-
IC50: 0.000452 mM
EVG(statine)VAEF
-
IC50: 0.005319 mM
EVG(statine)VAEF
-
IC50: 0.004673 mM
EVL(statine)VAEF
-
IC50: 0.000265 mM
EVL(statine)VAEF
-
IC50: 0.000251 mM
EVNLAAEF
-
Leu in the transition state isostere, i.e. OM99-2, IC50: 0.0000016 mM
EVNLAAEF
-
Leu in the transition state isostere, i.e. OM99-2, IC50: 0.0000014 mM
EVW(statine)VAEF
-
IC50: 0.00754 mM
EVW(statine)VAEF
-
IC50: 0.0066 mM
EVY(statine)VAEF
-
IC50: 0.000118 mM
EVY(statine)VAEF
-
IC50: 0.000126 mM
GRL-8234
i.e. inhibitor 24, inhibitory and cellular assays described
GRL-8234
i.e. inhibitor 24, inhibitory and cellular assays described
imperatorin
-
-
imperatorin
-
strongest inhibition of BACE1 activity
KTEEISEVN(statine)VAEF
-
0.000055 mM
KTEEISEVN(statine)VAEF
-
0.000049 mM
LY2039911
-
-
N-((1S,2R)-1-benzyl-3-cyclopropylamino-2-hydroxy-propyl)-5-(methanesulfonyl-methyl-amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide
-
beta-secretase inhibitor IV
N-((1S,2R)-1-benzyl-3-cyclopropylamino-2-hydroxy-propyl)-5-(methanesulfonyl-methyl-amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide
-
beta-secretase inhibitor IV, potent inhibitor
N-((1S,2R)-1-benzyl-3-cyclopropylamino-2-hydroxy-propyl)-5-(methanesulfonyl-methyl-amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide
-
beta-secretase inhibitor IV
N-[(1S,2R)-1-benzyl-2-hydroxy-3-[(3-ethoxybenzyl)amino]propyl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
-
-
N-[(1S,2R)-1-benzyl-2-hydroxy-3-[(3-ethoxybenzyl)amino]propyl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
-
up to 65% reduction of plasma amyloid beta in transgenic mice
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(6-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-benzothiazol-2-yl)sulfanyl]acetamide
-
80% inhibition at 0.1 mM
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(6-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-benzothiazol-2-yl)sulfanyl]acetamide
-
OM00-3
-
Glu-Leu-Asp-Leu*Ala-Val-Glu-Phe, the asterisk denotes a hydxoxyethelene transition state isostere
OM99-2
-
-
OM99-2
-
Glu-Val-Asn-Leu*Ala-Ala-Glu-Phe, the asterisk denotes a hydxoxyethelene transition state isostere
OM99-2
pH dependence of BACE1 activity in solution with and without OM99-2 shown, surface representation in the active site cleft with superimposed OM99-2 at pH 5 shown by crystallization, active and inactive structures determined
OM99-2
-
complete inhibition at 0.0001 nM
OM99-2
-
i.e. Glu-Val-Asn-(S)-CH(OH)CH2-Leu-Ala-Glu-Phe-OH
OM99-2
-
i.e. Glu-Val-Asn-[(2R,4S,5S)-5-amino-4-hydroxy-2,7-dimethyl-octanoyl]-Ala-Glu-Phe-OH, potent inhibitor
quercetin
-
significant BACE1 inhibition in a dose-dependent manner
rosmarinic acid
-
rosmarinic acid
-
isolated from methanolic extracts of Perilla frutescens
additional information
-
strategies for inhibitor design
-
additional information
-
strategies for inhibitor design
-
additional information
-
overview on first generation inhibitors, inhibitor design
-
additional information
-
murine BACE1 in amyloid precursor protein transgenic mouse models should exhibit similar pharmacological and enzymatic profiles to those of human BACE1 and should thus be useful in the development of BACE inhibitors for the treatment of Alzheimer's disease
-
additional information
structures of BACE1 inhibitors containing a tetrazole ring at the P4 position indicated, inhibitory activities summarized
-
additional information
design of selective non-peptidic small molecule inhibitors of beta-secretase BACE1, substitution of a thiophene ring for the key pyrrole nucleus in a series of substituted acylguanidines performed
-
additional information
isophthalic-type aromatic residues at the P2 position and an HMC isostere at the P1 position used as lead compounds for generation of novel inhibitors against beta-secretase BACE1, development of novel inhibitors against beta-secretase BACE1 studied, novel nonpeptidic and small-sized BACE1 inhibitors possessing a 2,6-pyridinedicarboxylic, chelidamic or chelidonic residue at the P2 position described, inhibitory activities summarized
-
additional information
membrane excitability normalized by BACE1 inhibitor GL189 in Alzheimer disease patients reveals association between BACE1 and regulatory role on voltage-gated sodium channel by cleavage of beta2 subunit
-
additional information
-
membrane excitability normalized by BACE1 inhibitor GL189 in Alzheimer disease patients reveals association between BACE1 and regulatory role on voltage-gated sodium channel by cleavage of beta2 subunit
-
additional information
-
in presenilin 1 mutants I143T or G384A, acceleration of apoptosis, elevation of caspase 3/7 activity, and significant increases in caspase-4, caspase-8, and caspase-9 activities during apoptosis are observed,. Treatment with a beta-secretase inhibitor significantly attenuates the effects of the presenilin 1 mutants on caspase 3/7 activation and recovers cell viability
-
additional information
-
in presenilin 1 mutants I143T or G384A after treatment with apoptosis-inducing agents, increasing levels of p53 protein are enhanced. Treatment with a beta-secretase inhibitor counteracts the increases in the p53 protein levels
-
additional information
-
cholesterol depletion within the cellular context inhibits both beta-secretase and gamma-secretase additively and independently from each other. The parallel and additive inhibition may indicate an intrinsic cross-talk between Alzheimer disease-related amyloid precursor protein processing, amyloid precursor protein function, and lipid biology; cyclodextrin does not affect the protein levels of BACE I
-
additional information
-
gamma-secretase affects BACE1 expression and induces an increase in protein levels in Alzheimer's disease
-
additional information
-
in wild-type as well as transgenic Tg2576 mice, no effect on BACE-1 activity can be observed by standardized Ginkgo biloba extract EGb761, a flavonol fraction or a terpenelactone fraction from Ginkgo biloba leaf; neither standardized Ginkgo biloba extract EGb761, a flavonol fraction or a terpenelactone fraction from Ginkgo biloba leaf affect BACE-1 activity in vitro or in Neuro-2a cells
-
additional information
-
not inhibited by xanthoxol
-
additional information
presence of a flavanone moiety in the amentoflavone biflavonoid is advantageous for inhibitory activity
-
additional information
a pyrrolidinyl side group at the P3' and P4' positions of the inhibitors are favored for strong inhibition and a small aromatic group at the P4 position is also essential to the potency
-
additional information
BACE1 inhibitors possessing a chelidonic or 2,6-pyridinedicarboxylic scaffold at the P2 position. Small-sized and hydrophobic residues at the P2 and P3 positions are preferable for BACE1 inhibition. The membrane permeability of these non-peptidic BACE1 inhibitors is similar to that of peptidic compounds
-
additional information
not inhibited by 0.005 mM (+)-canadine, (+)-corydaline, (+)-tetrahydropalmatine, (+)-corydine, (+)-bulbocapnine, (+)-corypalmine, (-)-sinoacutine, and (+)-N-methyllaurotetanine
-
additional information
-
murine BACE1 in amyloid precursor protein transgenic mouse models should exhibit similar pharmacological and enzymatic profiles to those of human BACE1 and should thus be useful in the development of BACE inhibitors for the treatment of Alzheimer's disease
-
additional information
-
gamma-secretase affects BACE1 expression and induces an increase in protein levels in Alzheimer's disease
-
additional information
-
CP-681301 treatment leads to significant reduction of BACE1 mRNA and protein
-
additional information
-
gamma-secretase affects BACE1 expression and induces an increase in protein levels in Alzheimer's disease
-
additional information
-
caspase-3 inhibitor Z-DEVD-FMK reduces BACE1 mRNA and protein levels, and inhibits its protease activity, thereby decreasing the amount of amyloid precursor protein C99 and amyloid beta in ischemic brains. Caspase-3 inhibition attenuates ischemia-induced amyloid beta-formation by reducing BACE1 production and activity
-
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0.2197
(+)-byakangelicin
Homo sapiens
-
in 50 mM sodium acetate, pH 4.5, at 25°C
0.1049
(+)-byakangelicol
Homo sapiens
-
in 50 mM sodium acetate, pH 4.5, at 25°C
0.03359
(+)-corynoline
Homo sapiens
at pH 4.0 and 25°C
0.00225
(+)-N-((4S,4aS,6S,8aR)-10-amino-4,4a,5,6,7,8-hexahydro-1H,3H-4,8a-(epithiomethenoazeno)isochromen-6-yl)-3-chlorobenzamide
Homo sapiens
pH and temperature not specified in the publication
0.3592
(+)-oxypeucedanin
Homo sapiens
-
in 50 mM sodium acetate, pH 4.5, at 25°C
0.04116
(-)-corycavamine
Homo sapiens
at pH 4.0 and 25°C
0.00311 - 0.1275
(-)-gallocatechin gallate
0.00017 - 0.0008
(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
0.0015 - 0.0027
(1R,3S)-3-[1-(acetylamino)cyclopentyl]-N-[(2S,3S,5R)-6-(butylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]cyclohexanecarboxamide
0.0038 - 0.0042
(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
0.00037 - 0.0037
(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
0.0000025 - 0.00014
(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 - 0.00096
(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
0.00058 - 0.0037
(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
0.00015 - 0.0002
(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
0.000511
(1S,2R)-N-[1-benzyl-2-hydroxy-3-(S)-[(1-benzylpiperidin-4-yl)amino]-propyl]-5-[methyl(methylsulfonyl)amino]-N'-[(R)-1-phenylethyl]isophthalamide
Homo sapiens
-
pH 4.0
0.000222
(1S,2R)-N-[1-benzyl-2-hydroxy-3-(S)-[2-(1-benzylpiperidin-4-yl)ethylamino]-propyl]-5-[methyl(methylsulfonyl)-amino]-N'-[(R)-1-(4-fluorophenyl)ethyl]isophthalamide
Homo sapiens
-
pH 4.0
0.000567
(1S,2R)-N-[1-benzyl-2-hydroxy-3-(S)-[2-(1-benzylpiperidin-4-yl)ethylamino]-propyl]-5-[methyl(methylsulfonyl)amino]-N'-[(R)-1-phenylethyl]isophthalamide
Homo sapiens
-
pH 4.0
0.00015
(2R,4S)-N-butyl-4-hydroxy-2-methyl-4-[(2S,5S,7R)-1,2,7-trimethyl-3,16-dioxo-1,4-diazacyclohexadecan-5-yl]butanamide
Homo sapiens
-
0.00059
(2R,4S)-N-butyl-4-[(2S,5S,7R)-2,7-dimethyl-3,15-dioxo-1,4-diazacyclopentadecan-5-yl]-4-hydroxy-2-methylbutanamide
Homo sapiens
-
0.00025
(2R,4S)-N-butyl-4-[(2S,5S,7R)-2,7-dimethyl-3,16-dioxo-1,4-diazacyclohexadecan-5-yl]-4-hydroxy-2-methylbutanamide
Homo sapiens
-
0.000008
(2S)-2-((3R)-3-acetamido-3-isobutyl-2-oxo-1-pyrrolidinyl)-N-((1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-2-(1,2,3,4-tetrahydro-3-isoquinolinyl)ethyl)-4-phenylbutanamide
Homo sapiens
pH not specified in the publication, temperature not specified in the publication
0.0056
(2S,5S,8S,11S,14S)-14-amino-5-benzyl-8-(cyclohexylmethyl)-16-(5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-2-hydroxy-11-(1-methylethyl)-4,7,10,13,16-pentaoxo-N-[3-(2H-tetrazol-5-yl)phenyl]-3,6,9,12-tetraazahexadecan-1-amide
Homo sapiens
i.e. KMI-574, used as a substrate transition-state mimic
0.000022
(3S,14R,16S)-16-[(1R)-1-hydroxy-2-([3-(1-methylethyl)benzyl]amino)ethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5-dione
Homo sapiens
-
0.000002
(3S,14R,16S)-16-[(1S)-2-[[(1R)-3,3-dimethyl-7-(1-methylethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-hydroxyethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5-dione
Homo sapiens
-
0.00001
(3S,5R)-3-(4-amino-3-fluoro-5-[[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]oxy]benzyl)-5-[(3-tert-butylbenzyl)amino]-4-hydroxytetrahydro-2H-thiopyranium-1-olate
Homo sapiens
pH not specified in the publication, temperature not specified in the publication
0.00107
(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(fluoromethyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine
Homo sapiens
pH 4.5, 37°C
0.000045
(4aS,4'S,10aR)-8-(2-fluoropyridin-3-yl)-4a-methyl-3,4,4a,10a-tetrahydro-2H,5'H-spiro[pyrano[3,2-b]chromene-10,4'-thiazol]-2'-amine
Homo sapiens
pH 4.4, 22°C
0.00015
(4S)-4-(2,4-difluorophenyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
Mus musculus
pH and temperature not specified in the publication
0.000001
(4S)-4-[(1R)-1-hydroxy-2-([1-[3-(propan-2-yl)phenyl]cyclopropyl]amino)ethyl]-19-(2-oxopyrrolidin-1-yl)-11,16-dioxa-3-azatricyclo[15.3.1.1(6,10)]docosa-1(21),6(22),7,9,17,19-hexaen-2-one
Homo sapiens
-
pH and temperature not specified in the publication
0.000009
(4S)-4-[(1R)-1-hydroxy-2-([1-[3-(propan-2-yl)phenyl]cyclopropyl]amino)ethyl]-19-(methoxymethyl)-11,16-dioxa-3,18-diazatricyclo[15.3.1.1(6,10)]docosa-1(21),6(22),7,9,17,19-hexaen-2-one
Homo sapiens
-
pH and temperature not specified in the publication
0.000017
(4S)-4-[(1R)-1-hydroxy-2-([1-[3-(propan-2-yl)phenyl]cyclopropyl]amino)ethyl]-19-methyl-11,16-dioxa-3,18-diazatricyclo[15.3.1.1(6,10)]docosa-1(21),6(22),7,9,17,19-hexaen-2-one
Homo sapiens
-
pH and temperature not specified in the publication
0.000083
(4S)-4-[(1R)-1-hydroxy-2-([1-[3-(propan-2-yl)phenyl]ethyl]amino)ethyl]-19-methyl-11,16-dioxa-3,18-diazatricyclo[15.3.1.1(6,10)]docosa-1(21),6(22),7,9,17,19-hexaen-2-one
Homo sapiens
-
pH and temperature not specified in the publication
0.00005
(4S)-4-[(1R)-1-hydroxy-2-([2-[3-(propan-2-yl)phenyl]propan-2-yl]amino)ethyl]-19-(methoxymethyl)-11-oxa-3,16-diazatricyclo[15.3.1.1(6,10)]docosa-1(21),6(22),7,9,17,19-hexaen-2-one
Homo sapiens
-
pH and temperature not specified in the publication
0.000292
(4S)-4-[(1R)-1-hydroxy-2-[[3-(propan-2-yl)benzyl]amino]ethyl]-11-oxa-3,16-diazatricyclo[15.3.1.1(6,10)]docosa-1(21),6(22),7,9,17,19-hexaen-2-one
Homo sapiens
-
pH and temperature not specified in the publication
0.00006
(4S)-4-[(1R)-1-hydroxy-2-[[3-(propan-2-yl)benzyl]amino]ethyl]-19-(methoxymethyl)-11-oxa-3,16-diazatricyclo[15.3.1.1(6,10)]docosa-1(21),6(22),7,9,17,19-hexaen-2-one
Homo sapiens
-
pH and temperature not specified in the publication
0.000042
(4S)-4-[(1R)-1-hydroxy-2-[[3-(propan-2-yl)benzyl]amino]ethyl]-19-methyl-11,16-dioxa-3,18-diazatricyclo[15.3.1.1(6,10)]docosa-1(21),6(22),7,9,17,19-hexaen-2-one
Homo sapiens
-
pH and temperature not specified in the publication
0.000027
(4S)-4-[(1R)-1-hydroxy-2-[[3-(propan-2-yl)benzyl]amino]ethyl]-19-methyl-11-oxa-3,16,18-triazatricyclo[15.3.1.1(6,10)]docosa-1(21),6(22),7,9,17,19-hexaen-2-one
Homo sapiens
-
pH and temperature not specified in the publication
0.01
(4S)-4-[(1R)-2-[[1-(3-tert-butylphenyl)-2,2,2-trifluoroethyl]amino]-1-hydroxyethyl]-19-(methoxymethyl)-11-oxa-3,16-diazatricyclo[15.3.1.1(6,10)]docosa-1(21),6(22),7,9,17,19-hexaen-2-one
Homo sapiens
-
IC50 above 0.01 mM, pH and temperature not specified in the publication
0.000177
(4S)-4-[(1R)-2-[[1-(3-tert-butylphenyl)-2-fluoroethyl]amino]-1-hydroxyethyl]-19-(methoxymethyl)-11-oxa-3,16-diazatricyclo[15.3.1.1(6,10)]docosa-1(21),6(22),7,9,17,19-hexaen-2-one
Homo sapiens
-
pH and temperature not specified in the publication
0.000668
(4S)-4-[(1R)-2-[[1-(3-tert-butylphenyl)-2-methoxyethyl]amino]-1-hydroxyethyl]-19-(methoxymethyl)-11-oxa-3,16-diazatricyclo[15.3.1.1(6,10)]docosa-1(21),6(22),7,9,17,19-hexaen-2-one
Homo sapiens
-
pH and temperature not specified in the publication
0.000067
(4S)-4-[(1R)-2-[[1-(3-tert-butylphenyl)cyclobutyl]amino]-1-hydroxyethyl]-19-(methoxymethyl)-11-oxa-3,16-diazatricyclo[15.3.1.1(6,10)]docosa-1(21),6(22),7,9,17,19-hexaen-2-one
Homo sapiens
-
pH and temperature not specified in the publication
0.00005
(4S)-4-[(1R)-2-[[1-(3-tert-butylphenyl)cyclopentyl]amino]-1-hydroxyethyl]-19-(methoxymethyl)-11-oxa-3,16-diazatricyclo[15.3.1.1(6,10)]docosa-1(21),6(22),7,9,17,19-hexaen-2-one
Homo sapiens
-
pH and temperature not specified in the publication
0.000008
(4S)-4-[2,4-difluoro-5-(pyrimidin-5-yl)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
Mus musculus
pH and temperature not specified in the publication
0.00031
(4S,6R)-4-(2,4-difluorophenyl)-4-methyl-6-(pyrimidin-5-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
Mus musculus
pH and temperature not specified in the publication
0.00002
(5S)-2-amino-5-(2',4'-difluorobiphenyl-3-yl)-3-methyl-5-(pyridin-4-yl)-3,5-dihydro-4H-imidazol-4-one
Homo sapiens
-
pH not specified in the publication, temperature not specified in the publication
0.00001
(5S)-2-amino-5-[3-fluoro-5-(2-fluoropyridin-3-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-3-methyl-3,5-dihydro-4H-imidazol-4-one
Homo sapiens
pH not specified in the publication, temperature not specified in the publication
0.039
(6R)-2,6-anhydro-5-O-[(E)-2-(4-hydroxyphenyl)ethenyl]-6-[2-[(2R)-2-hydroxypropyl]-7-methoxy-5-methyl-4-oxo-4H-chromen-8-yl]-L-glucitol
Homo sapiens
-
pH 4.0, 25°C
0.0205
(6R)-2,6-anhydro-6-[7-methoxy-5-methyl-4-oxo-2-[(1E)-prop-1-en-1-yl]-4H-chromen-8-yl]-L-glucitol
Homo sapiens
-
pH 4.0, 25°C
0.034
(6R)-2-amino-3,6-dimethyl-6-(2-phenylethyl)-5,6-dihydropyrimidin-4(3H)-one
Homo sapiens
pH and temperature not specified in the publication
0.00008
(6R)-2-amino-6-[2-(3'-methoxybiphenyl-4-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one
Homo sapiens
pH and temperature not specified in the publication
0.0016
(6R)-2-amino-6-[2-(biphenyl-4-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one
Homo sapiens
pH and temperature not specified in the publication
0.00038
(6S)-2-amino-6-(3'-methoxybiphenyl-3-yl)-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one
Homo sapiens
pH and temperature not specified in the publication
0.000011
(R)-3-(2-amino-6-(3-chloropyridin-2-yl)quinolin-3-yl)-N-(3,3-dimethylbutyl)-2-methylpropanamide
Homo sapiens
-
pH not specified in the publication, temperature not specified in the publication
0.000016
(R)-3-(2-amino-6-(3-methylpyridin-2-yl)quinolin-3-yl)-N-(3,3-dimethylbutyl)-2-methylpropanamide
Homo sapiens
-
pH not specified in the publication, temperature not specified in the publication
0.000015
(R)-N-(3-(3-amino-1-methyl-9-oxa-4-thia-2-azaspiro[5.5]undec-2-en-1-yl)-4-fluorophenyl)-5-(fluoromethoxy)pyrazine-2-carboxamide
Homo sapiens
pH and temperature not specified in the publication
0.0000038
(R)-N-(3-(3-amino-5-methyl-9,9-dioxido-2,9-dithia-4-azaspiro[5.5]undec-3-en-5-yl)-4-fluorophenyl)-5-(fluoromethoxy)pyrazine-2-carboxamide
Homo sapiens
pH and temperature not specified in the publication
0.000016
(R)-N-(3-(3-amino-9,9-difluoro-5-methyl-2-thia-4-azaspiro[5.5]undec-3-en-5-yl)-4-fluorophenyl)-5-(fluoromethoxy)pyrazine-2-carboxamide
Homo sapiens
pH and temperature not specified in the publication
0.0000055
(R)-N-(3-(7-amino-2,2-difluoro-9-methyl-6-thia-8-azaspiro[3.5]non-7-en-9-yl)-4-fluorophenyl)-5-(fluoromethoxy)pyrazine-2-carboxamide
Homo sapiens
pH and temperature not specified in the publication
0.0000009
(S)-3-(6,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)-7-(2-fluoropyridin-3-yl)-5'H-spiro[chromeno[2,3-b]pyridine-5,4'-oxazol]-2'-amine
Homo sapiens
pH not specified in the publication, temperature not specified in the publication
0.0000007
(S)-7-(2-fluoropyridin-3-yl)-3-((3-methyloxetan-3-yl)ethynyl)-5H-spiro[chromeno[2,3-b]pyridine-5,4-oxazol]-2-amine
Homo sapiens
pH not specified in the publication, temperature not specified in the publication
0.0000072
(S)-N-(3-(2-amino-4-methyl-5,6-dihydro-4H-1,3-thiazin-4-yl)-4-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
Homo sapiens
pH and temperature not specified in the publication
0.00002
(S)-N-(3-(2-amino-4-methyl-5,6-dihydro-4H-1,3-thiazin-4-yl)-4-fluorophenyl)-5-(difluoromethyl)pyrazine-2-carboxamide
Homo sapiens
pH and temperature not specified in the publication
0.0000049
(S)-N-(3-(2-amino-4-methyl-5,6-dihydro-4H-1,3-thiazin-4-yl)-4-fluorophenyl)-5-(fluoromethoxy)pyrazine-2-carboxamide
Homo sapiens
pH and temperature not specified in the publication
0.0000046
(S)-N-(3-(2-amino-4-methyl-5,6-dihydro-4H-1,3-thiazin-4-yl)-4-fluorophenyl)-5-chloropicolinamide
Homo sapiens
pH and temperature not specified in the publication
0.0000032
(S)-N-(3-(2-amino-4-methyl-5,6-dihydro-4H-1,3-thiazin-4-yl)-4-fluorophenyl)-5-cyanopicolinamide
Homo sapiens
pH and temperature not specified in the publication
0.000013
(S)-N-(3-(2-amino-4-methyl-5,6-dihydro-4H-1,3-thiazin-4-yl)-4-fluorophenyl)-5-fluoropicolinamide
Homo sapiens
pH and temperature not specified in the publication
0.000011
(S)-N-(3-(2-amino-4-methyl-5,6-dihydro-4H-1,3-thiazin-4-yl)-4-fluorophenyl)-5-methoxypyrazine-2-carboxamide
Homo sapiens
pH and temperature not specified in the publication
0.0059
1-(2-chlorobenzyl)-4-(4-(dibenzo[b,d]furan-1-yl)benzyl)-1H-imidazol-2-amine
Homo sapiens
-
pH not specified in the publication, temperature not specified in the publication
0.0056
1-(4-fluorobenzyl)-4-((30,50-dimethoxybiphenyl-4-yl)methyl)-1H-imidazol-2-amine
Homo sapiens
-
pH not specified in the publication, temperature not specified in the publication
0.0447
1-[(3-benzoylamino-phenylcarbamoyl)-methyl]-3-carbamoyl-pyridiniumchloride
Homo sapiens
-
in 50 mM sodium acetate, pH 4.5, at 37°C
0.003
1-[(E)-[(4-methylquinazolin-2-yl)amino][(phenylcarbamoyl)amino]methylidene]-3-phenylurea
Homo sapiens
-
in 50 mM Tris (pH 7.5), at 25°C
0.012
1-[[3-(4-chloro-phenylcarbamoyl)-phenylcarbamoyl]-methyl]-3-phenethylcarbamoyl-pyridinium chloride
Homo sapiens
-
in 50 mM sodium acetate, pH 4.5, at 37°C
0.001
1-[[3-(4-chloro-phenylcarbamoyl)-phenylcarbamoyl]-methyl]-pyridinium chloride
Homo sapiens
-
in 50 mM sodium acetate, pH 4.5, at 37°C
0.0037
1-[[3-(4-methoxy-phenylcarbamoyl)-phenylcarbamoyl]-methyl]-pyridinium chloride
Homo sapiens
-
in 50 mM sodium acetate, pH 4.5, at 37°C
0.0022
1-[[3-(4-methyl-benzoylamino)-phenylcarbamoyl]-methyl]-3-phenethylcarbamoyl-pyridinium chloride
Homo sapiens
-
in 50 mM sodium acetate, pH 4.5, at 37°C
0.013
1-[[3-(4-methyl-benzoylamino)-phenylcarbamoyl]-methyl]-pyridinium chloride
Homo sapiens
-
in 50 mM sodium acetate, pH 4.5, at 37°C
0.04863
15,16-dihydrotanshinone
Homo sapiens
at pH 4.5 and 23°C
0.00035
2,3-dihydro-6-methylginkgetin
Homo sapiens
pH not specified in the publication, temperature not specified in the publication
0.00075
2,3-dihydroamentoflavone
Homo sapiens
pH not specified in the publication, temperature not specified in the publication
0.0386
2-((5-cyano-4-(2-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl)thio)eN-(4-(3-nitrophenyl)thiazol-2-yl)acetamide
Homo sapiens
at pH 4.5 and 25°C
0.0276
2-((5-cyano-4-(2-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl)thio)eN-(4-(4-nitrophenyl)thiazol-2-yl)acetamide
Homo sapiens
at pH 4.5 and 25°C
0.015
2-((5-cyano-4-(3-ethoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl)thio)eN-(4-(4-nitrophenyl)thiazol-2-yl)acetamide
Homo sapiens
at pH 4.5 and 25°C
0.0046
2-((5-cyano-4-(3-ethoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl)thio)eN-(4-phenyl-1H-imidazol-2-yl)acetamide
Homo sapiens
at pH 4.5 and 25°C
0.015
2-((5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl)thio)eN-(4-(3-(2-fluoropyridin-3-yl)phenyl)thiazol-2-yl)acetamide
Homo sapiens
at pH 4.5 and 25°C
0.0243
2-((5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl)thio)eN-(4-(3-nitrophenyl)thiazol-2-yl)acetamide
Homo sapiens
at pH 4.5 and 25°C
0.0261
2-((5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl)thio)eN-(4-(4-nitrophenyl)thiazol-2-yl)acetamide
Homo sapiens
at pH 4.5 and 25°C
0.0042
2-((5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl)thio)eN-(4-phenyl-1H-imidazol-2-yl)acetamide
Homo sapiens
at pH 4.5 and 25°C
0.0374
2-((5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl)thio)eN-(4-phenylthiazol-2-yl)acetamide
Homo sapiens
at pH 4.5 and 25°C
0.0296
2-((5-cyano-6-oxo-4-(3-(trifluoromethoxy)phenyl)-1,6-dihydropyrimidin-2-yl)thio)eN-(4-phenylthiazol-2-yl)acetamide
Homo sapiens
at pH 4.5 and 25°C
0.0191
2-((5-cyano-6-oxo-4-(3-(trifluoromethyl)phenyl)-1,6-dihydropyrimidin-2-yl)thio)eN-(4-phenylthiazol-2-yl)acetamide
Homo sapiens
at pH 4.5 and 25°C
0.0606
2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one
Homo sapiens
-
prenylated flavone from the stem bark of Morus lhou, pH not specified in the publication, temperature not specified in the publication
0.00593
2-(3-(4-(3-(cyclohexylamino)-5-methylimidazo[1,2-a]pyridin-2-yl)phenoxy)propyl)isoindoline-1,3-dione
Homo sapiens
at pH 4.5 and 23°C
0.02942
2-(3-(4-(3-(cyclohexylamino)-6-methylimidazo[1,2-a]pyridin-2-yl)phenoxy)propyl)isoindoline-1,3-dione
Homo sapiens
at pH 4.5 and 23°C
0.00284
2-(3-(4-(3-(cyclohexylamino)-7-methylimidazo[1,2-a]pyridin-2-yl)phenoxy)propyl)isoindoline-1,3-dione
Homo sapiens
at pH 4.5 and 23°C
0.0149
2-(3-(4-(6-chloro-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl)-2-methoxyphenoxy)propyl) isoindoline-1,3-dione
Homo sapiens
at pH 4.5 and 23°C
0.000026
2-(3-(imidazo[1,2-a]pyridin-2-yl)phenyl)-6-methoxy-1Hbenzo[d]imidazole
Homo sapiens
pH 4.5, 25°C
0.00516
2-amino-3-ethyl-5,5-diphenyl-3,5-dihydro-4H-imidazol-4-one
Homo sapiens
pH and temperature not specified in the publication
0.00077
2-amino-3-methyl-5,5-diphenyl-3,5-dihydro-4H-imidazol-4-one
Homo sapiens
-
temperature not specified in the publication, in 20 mM Tris-HCl, pH 7.4
0.00117
2-amino-3-methyl-5-(2-methylpyridin-4-yl)-5-[3-(pyridin-3-yl)phenyl]-3,5-dihydro-4H-imidazol-4-one
Homo sapiens
-
temperature not specified in the publication, in 20 mM Tris-HCl, pH 7.4
0.0022
2-amino-3-methyl-5-(2-methylpyridin-4-yl)-5-[3-(pyrimidin-5-yl)phenyl]-3,5-dihydro-4H-imidazol-4-one
Homo sapiens
-
temperature not specified in the publication, in 20 mM Tris-HCl, pH 7.4
0.00048
2-amino-3-methyl-5-(pyridin-4-yl)-5-[3-(pyridin-3-yl)phenyl]-3,5-dihydro-4H-imidazol-4-one
Homo sapiens
-
temperature not specified in the publication, in 20 mM Tris-HCl, pH 7.4
0.00387
2-amino-3-methyl-5-(tricyclo[3.3.1.1(3,7)]dec-1-yl)-5-[3-(trifluoromethoxy)phenyl]-3,5-dihydro-4H-imidazol-4-one
Homo sapiens
pH and temperature not specified in the publication
0.00201
2-amino-3-methyl-5-phenyl-5-(pyridin-4-yl)-3,5-dihydro-4H-imidazol-4-one
Homo sapiens
-
temperature not specified in the publication, in 20 mM Tris-HCl, pH 7.4
0.00083
2-amino-3-methyl-5-phenyl-5-(tricyclo[3.3.1.13,7]dec-1-yl)-3,5-dihydro-4H-imidazol-4-one
Homo sapiens
pH and temperature not specified in the publication
0.00613
2-amino-3-methyl-5-[2-(propan-2-yl)pyridin-4-yl]-5-[3-(pyrimidin-5-yl)phenyl]-3,5-dihydro-4H-imidazol-4-one
Homo sapiens
-
temperature not specified in the publication, in 20 mM Tris-HCl, pH 7.4
0.036
2-amino-3-methyl-6-(naphthalen-2-ylmethyl)pyrimidin-4(3H)-one
Homo sapiens
pH and temperature not specified in the publication
0.08719
2-amino-5,5-diphenyl-3,5-dihydro-4H-imidazol-4-one
Homo sapiens
pH and temperature not specified in the publication
0.00054
2-amino-5-(1,3-benzodioxol-5-yl)-3-methyl-5-[3-(pyridin-3-yl)phenyl]-3,5-dihydro-4H-imidazol-4-one
Homo sapiens
pH and temperature not specified in the publication
0.0005
2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-5-[3-(pyridin-3-yl)phenyl]-3,5-dihydro-4H-imidazol-4-one
Homo sapiens
pH and temperature not specified in the publication
0.00113
2-amino-5-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-5-[3-(pyridin-3-yl)phenyl]-3,5-dihydro-4H-imidazol-4-one
Homo sapiens
pH and temperature not specified in the publication
0.0236
2-amino-5-(2,6-diethylpyridin-4-yl)-3-methyl-5-[3-(pyrimidin-5-yl)phenyl]-3,5-dihydro-4H-imidazol-4-one
Homo sapiens
-
temperature not specified in the publication, in 20 mM Tris-HCl, pH 7.4
0.0241
2-amino-5-(2,6-dimethylpyridin-4-yl)-3-methyl-5-[3-(pyrimidin-5-yl)phenyl]-3,5-dihydro-4H-imidazol-4-one
Homo sapiens
-
temperature not specified in the publication, in 20 mM Tris-HCl, pH 7.4
0.00102
2-amino-5-(2-ethylpyridin-4-yl)-3-methyl-5-[3-(pyrimidin-5-yl)phenyl]-3,5-dihydro-4H-imidazol-4-one
Homo sapiens
-
temperature not specified in the publication, in 20 mM Tris-HCl, pH 7.4
0.00959
2-amino-5-(3,4-dimethoxyphenyl)-3-methyl-5-(tricyclo[3.3.1.1(3,7)]dec-1-yl)-3,5-dihydro-4H-imidazol-4-one
Homo sapiens
pH and temperature not specified in the publication
0.00555
2-amino-5-(3-butoxyphenyl)-3-methyl-5-(tricyclo[3.3.1.1(3,7)]dec-1-yl)-3,5-dihydro-4H-imidazol-4-one
Homo sapiens
pH and temperature not specified in the publication
0.00042
2-amino-5-(3-chlorophenyl)-3-methyl-5-phenyl-3,5-dihydro-4H-imidazol-4-one
Homo sapiens
pH and temperature not specified in the publication
0.00253
2-amino-5-(3-ethoxyphenyl)-3-methyl-5-(tricyclo[3.3.1.1(3,7)]dec-1-yl)-3,5-dihydro-4H-imidazol-4-one
Homo sapiens
pH and temperature not specified in the publication
0.00629
2-amino-5-(3-methoxy-4-methylphenyl)-3-methyl-5-(tricyclo[3.3.1.1(3,7)]dec-1-yl)-3,5-dihydro-4H-imidazol-4-one
Homo sapiens
pH and temperature not specified in the publication
0.00068
2-amino-5-(3-methoxyphenyl)-3-methyl-5-(tricyclo[3.3.1.1(3,7)]dec-1-yl)-3,5-dihydro-4H-imidazol-4-one
Homo sapiens
pH and temperature not specified in the publication
0.00119
2-amino-5-(3-methoxyphenyl)-3-methyl-5-phenyl-3,5-dihydro-4H-imidazol-4-one
Homo sapiens
pH and temperature not specified in the publication
0.00184
2-amino-5-(4-chlorophenyl)-3-methyl-5-phenyl-3,5-dihydro-4H-imidazol-4-one
Homo sapiens
pH and temperature not specified in the publication
0.00433
2-amino-5-(4-ethyl-3-methoxyphenyl)-3-methyl-5-(tricyclo[3.3.1.1(3,7)]dec-1-yl)-3,5-dihydro-4H-imidazol-4-one
Homo sapiens
pH and temperature not specified in the publication
0.00096
2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-(6-methylbiphenyl-3-yl)-3,5-dihydro-4H-imidazol-4-one
Homo sapiens
pH and temperature not specified in the publication
0.00079
2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-[3-(pyridin-3-yl)phenyl]-3,5-dihydro-4H-imidazol-4-one
Homo sapiens
-
temperature not specified in the publication, in 20 mM Tris-HCl, pH 7.4
0.00159
2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-[3-(pyrimidin-5-yl)phenyl]-3,5-dihydro-4H-imidazol-4-one
Homo sapiens
pH and temperature not specified in the publication
0.00172
2-amino-5-(4-methoxyphenyl)-3-methyl-5-phenyl-3,5-dihydro-4H-imidazol-4-one
Homo sapiens
pH and temperature not specified in the publication
0.00014
2-amino-5-(biphenyl-3-yl)-3-methyl-5-(pyridin-4-yl)-3,5-dihydro-4H-imidazol-4-one
Homo sapiens
-
temperature not specified in the publication, in 20 mM Tris-HCl, pH 7.4
0.00417
2-amino-5-(biphenyl-3-yl)-5-(3,4-dimethoxyphenyl)-3-methyl-3,5-dihydro-4H-imidazol-4-one
Homo sapiens
pH and temperature not specified in the publication
0.00017
2-amino-5-(biphenyl-3-yl)-5-(3-butoxy-4-methoxyphenyl)-3-methyl-3,5-dihydro-4H-imidazol-4-one
Homo sapiens
pH and temperature not specified in the publication
0.00056
2-amino-5-(biphenyl-3-yl)-5-(3-chloro-4-methoxyphenyl)-3-methyl-3,5-dihydro-4H-imidazol-4-one
Homo sapiens
pH and temperature not specified in the publication
0.00096
2-amino-5-(biphenyl-3-yl)-5-(3-cyclopentyl-4-methoxyphenyl)-3-methyl-3,5-dihydro-4H-imidazol-4-one
Homo sapiens
pH and temperature not specified in the publication
0.0006
2-amino-5-(biphenyl-3-yl)-5-(3-ethoxy-4-methoxyphenyl)-3-methyl-3,5-dihydro-4H-imidazol-4-one
Homo sapiens
pH and temperature not specified in the publication
0.0002
2-amino-5-(biphenyl-3-yl)-5-(3-ethoxy-4-propoxyphenyl)-3-methyl-3,5-dihydro-4H-imidazol-4-one
Homo sapiens
pH and temperature not specified in the publication
0.00052
2-amino-5-(biphenyl-3-yl)-5-(3-fluoro-4-methoxyphenyl)-3-methyl-3,5-dihydro-4H-imidazol-4-one
Homo sapiens
pH and temperature not specified in the publication
0.00078
2-amino-5-(biphenyl-3-yl)-5-(4-methoxy-3-methylphenyl)-3-methyl-3,5-dihydro-4H-imidazol-4-one
Homo sapiens
pH and temperature not specified in the publication
0.0003
2-amino-5-(biphenyl-3-yl)-5-[3-(cyclopentyloxy)-4-methoxyphenyl]-3-methyl-3,5-dihydro-4H-imidazol-4-one
Homo sapiens
pH and temperature not specified in the publication
0.00184
2-amino-5-(biphenyl-3-yl)-5-[4-methoxy-3-(propan-2-yloxy)phenyl]-3-methyl-3,5-dihydro-4H-imidazol-4-one
Homo sapiens
pH and temperature not specified in the publication
0.001
2-amino-5-(biphenyl-3-yl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-3-methyl-3,5-dihydro-4H-imidazol-4-one
Homo sapiens
pH and temperature not specified in the publication
0.00504
2-amino-5-[2-fluoro-3-(pyrimidin-5-yl)phenyl]-3-methyl-5-[4-(trifluoromethoxy)phenyl]-3,5-dihydro-4H-imidazol-4-one
Homo sapiens
pH and temperature not specified in the publication
0.00078
2-amino-5-[3-(2-fluoropyridin-3-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-3-methyl-3,5-dihydro-4H-imidazol-4-one
0.00251
2-amino-5-[3-(2-methoxypyridin-3-yl)phenyl]-3-methyl-5-[4-(trifluoromethoxy)phenyl]-3,5-dihydro-4H-imidazol-4-one
Homo sapiens
pH and temperature not specified in the publication
0.00248
2-amino-5-[3-(6-fluoropyridin-3-yl)phenyl]-3-methyl-5-[4-(trifluoromethoxy)phenyl]-3,5-dihydro-4H-imidazol-4-one
Homo sapiens
pH and temperature not specified in the publication
0.00599
2-amino-5-[3-(6-methoxypyridin-3-yl)phenyl]-3-methyl-5-[4-(trifluoromethoxy)phenyl]-3,5-dihydro-4H-imidazol-4-one
Homo sapiens
pH and temperature not specified in the publication
0.00126
2-amino-5-[3-fluoro-5-(pyrimidin-5-yl)phenyl]-3-methyl-5-[4-(trifluoromethoxy)phenyl]-3,5-dihydro-4H-imidazol-4-one
Homo sapiens
pH and temperature not specified in the publication
0.00184
2-amino-5-[4-fluoro-3-(2-fluoropyridin-3-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-3-methyl-3,5-dihydro-4H-imidazol-4-one
Homo sapiens
pH and temperature not specified in the publication
0.00969
2-amino-5-[4-fluoro-3-(pyrimidin-5-yl)phenyl]-3-methyl-5-[4-(trifluoromethoxy)phenyl]-3,5-dihydro-4H-imidazol-4-one
Homo sapiens
pH and temperature not specified in the publication
0.00002 - 0.0028
2-amino-5-[4-fluoro-3-(pyrimidin-5-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-3-methyl-3,5-dihydro-4H-imidazol-4-one
0.077
2-amino-6-(3a,7a-dihydro-1H-indol-6-ylmethyl)-3-methylpyrimidin-4(3H)-one
Homo sapiens
pH and temperature not specified in the publication
0.13
2-amino-6-(3a,7a-dihydro-1H-indol-6-ylmethyl)pyrimidin-4(3H)-one
Homo sapiens
pH and temperature not specified in the publication
0.22
2-amino-6-benzyl-3-methylpyrimidin-4(3H)-one
Homo sapiens
pH and temperature not specified in the publication
0.23
2-amino-8-(2-nitrophenyl)-9-phenyl-1,9-dihydro-6H-purin-6-one
Homo sapiens
pH and temperature not specified in the publication
0.21
2-amino-8-(4-bromophenyl)-9-phenyl-1,9-dihydro-6H-purin-6-one
Homo sapiens
pH and temperature not specified in the publication
0.0345
2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl [(4,6-diphenylpyrimidin-2-yl)sulfanyl]acetate
Homo sapiens
-
in 50 mM Tris (pH 7.5), at 25°C
0.02
2-[(3-cyano-4,6-diphenylpyridin-2-yl)sulfanyl]-N-(3-nitrophenyl)acetamide
Homo sapiens
-
in 50 mM Tris (pH 7.5), at 25°C
0.021
2-[(4-methyl-5-[2-[(4-methylphenyl)amino]-2-oxoethyl]-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
Homo sapiens
-
in 50 mM Tris (pH 7.5), at 25°C
0.0102
2-[(6-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
Homo sapiens
-
in 50 mM Tris (pH 7.5), at 25°C
0.096
2-[[(1S,2S)-1-benzyl-2-hydroxy-3-oxo-3-[[3-(2H-tetrazol-5-yl)phenyl]amino]propyl]carbamoyl]-6-[[(4S)-4-phenyl-1,3-oxazolidin-3-yl]carbonyl]pyridin-4-yl methanesulfonate
Homo sapiens
i.e. KMI-1036, BACE1 inhibitors with a 5-membered ring at the P3 position and their BACE1 inhibitory activities summarized
0.001
2-[[2-amino-6-([2-(2-chlorophenyl)-5-[4-(pentyloxy)phenyl]-1H-pyrrol-1-yl]methyl)pyridin-3-yl]amino]ethanol
Homo sapiens
-
pH and temperature not specified in the publication
0.118
2-[[3-cyano-4-(4-fluorophenyl)-6-phenylpyridin-2-yl]sulfanyl]-N-(tricyclo[3.3.1.1(3,7)]dec-1-yl)acetamide
Homo sapiens
-
in 50 mM Tris (pH 7.5), at 25°C
0.05
2-[[3-cyano-6-(4-fluorophenyl)-4-phenylpyridin-2-yl]sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
Homo sapiens
-
in 50 mM Tris (pH 7.5), at 25°C
0.05
2-[[4-(4-chlorophenyl)-3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanyl]-N-(naphthalen-2-yl)-N-phenylacetamide
Homo sapiens
-
in 50 mM Tris (pH 7.5), at 25°C
0.1
2-[[4-benzyl-5-(1H-indol-3-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-indol-3-yl)ethanone
Homo sapiens
-
in 50 mM Tris (pH 7.5), at 25°C
0.000004
3-(5-((7aR)-6-(5-fluoropyrimidin-2-yl)-2-imino-3-methyl-4-oxooctahydro-1H-pyrrolo[3,4-d]pyrimidin-7a-yl)thiophen-3-yl)benzonitrile
Homo sapiens
pH not specified in the publication, temperature not specified in the publication
0.00005
3-(6-(2-acetylphenyl)-2-aminoquinolin-3-yl)-N-(3,3-dimethylbutyl)-2-methylpropanamide
Homo sapiens
-
pH not specified in the publication, temperature not specified in the publication
0.1
3-(benzylsulfanyl)-6-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Homo sapiens
-
in 50 mM Tris (pH 7.5), at 25°C
0.000004
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
-
pH and temperature not specified in the publication
0.000022
3-(butylsulfonyl)-N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]-N2-(methoxyacetyl)-D-alaninamide
Homo sapiens
-
pH and temperature not specified in the publication
0.00001
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
-
pH and temperature not specified in the publication
0.000011
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
-
pH and temperature not specified in the publication
0.000008
3-(butylsulfonyl)-N2-(3-cyanopropanoyl)-N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]-D-alaninamide
Homo sapiens
-
pH and temperature not specified in the publication
0.00001
3-(butylsulfonyl)-N2-(cyclopropylcarbonyl)-N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]-D-alaninamide
Homo sapiens
-
pH and temperature not specified in the publication
0.00367
3-(cyclohexylsulfonyl)-N-[(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl]propanamide
Homo sapiens
-
pH and temperature not specified in the publication
0.000484
3-(dibutylsulfamoyl)-N-[(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl]propanamide
Homo sapiens
-
pH and temperature not specified in the publication
0.00109
3-(dipropylsulfamoyl)-N-[(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl]propanamide
Homo sapiens
-
pH and temperature not specified in the publication
0.000596
3-(heptan-4-ylsulfonyl)-N-[(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl]propanamide
Homo sapiens
-
pH and temperature not specified in the publication
0.0302
3-carbamoyl-1-[[3-(4-chloro-phenylcarbamoyl)-phenylcarbamoyl]-methyl]-pyridinium chloride
Homo sapiens
-
in 50 mM sodium acetate, pH 4.5, at 37°C
0.0019
3-carbamoyl-1-[[3-(4-methoxy-phenylcarbamoyl)-phenylcarbamoyl]-methyl]-pyridinium chloride
Homo sapiens
-
in 50 mM sodium acetate, pH 4.5, at 37°C
0.000005
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
-
pH and temperature not specified in the publication
0.004
3-phenethylcarbamoyl-1-[(3-p-tolylcarbamoyl-phenylcarbamoyl)-methyl]-pyridinium chloride
Homo sapiens
-
in 50 mM sodium acetate, pH 4.5, at 37°C
0.0000012 - 0.0012
3-[(2H-tetrazol-5-ylcarbonyl)amino]-L-alanyl-L-valyl-N-((1S,2R)-1-benzyl-3-[(3,5-di-2H-tetrazol-5-ylphenyl)amino]-2-hydroxy-3-oxopropyl)-L-leucinamide
0.0000039 - 0.0039
3-[(2H-tetrazol-5-ylcarbonyl)amino]-L-alanyl-L-valyl-N-((1S,2R)-1-benzyl-3-[(3,5-dicarboxyphenyl)amino]-2-hydroxy-3-oxopropyl)-L-leucinamide
0.0000082 - 0.0082
3-[(2H-tetrazol-5-ylcarbonyl)amino]-L-alanyl-L-valyl-N-((1S,2R)-1-benzyl-3-[(3-carboxyphenyl)amino]-2-hydroxy-3-oxopropyl)-L-leucinamide
0.0000048 - 0.0048
3-[(2H-tetrazol-5-ylcarbonyl)amino]-L-alanyl-L-valyl-N-[(1S,2R)-1-benzyl-2-hydroxy-3-oxo-3-([3-(2H-tetrazol-5-yl)phenyl]amino)propyl]-L-leucinamide
0.0000066
3-[(2H-tetrazol-5-ylcarbonyl)amino]-L-alanyl-L-valyl-N-[(1S,2R)-1-benzyl-2-hydroxy-3-oxo-3-([3-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]amino)propyl]-L-leucinamide
Homo sapiens
-
0.0002 mM, 94.2% inhibition, IC50: 6.6 nM
0.0000064
3-[(2H-tetrazol-5-ylcarbonyl)amino]-L-alanyl-L-valyl-N-[(1S,2R)-1-benzyl-2-hydroxy-3-oxo-3-([3-(5-thioxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]amino)propyl]-L-leucinamide
Homo sapiens
-
0.0002 mM, 97.2% inhibition, IC50: 6.4 nM
0.0000048
3-[(2H-tetrazol-5-ylcarbonyl)amino]alanyl-L-valyl-N-(1-benzyl-2-hydroxy-3-oxo-3-[[3-(2H-tetrazol-5-yl)phenyl]amino]propyl)leucinamide
Homo sapiens
-
-
0.0000012
3-[(2H-tetrazol-5-ylcarbonyl)amino]alanyl-L-valyl-N-[1-benzyl-3-[(3,5-di-2H-tetrazol-5-ylphenyl)amino]-2-hydroxy-3-oxopropyl]leucinamide
Homo sapiens
-
-
0.00012
3-[5-[(1R)-1-amino-1-methyl-2-phenylethyl]-1,3,4-oxadiazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]benzamide
Homo sapiens
-
-
0.0000056
3-[[(5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)carbonyl]amino]alanyl-L-valyl-N-[(1S)-1-benzyl-2-hydroxy-3-oxo-3-[[3-(2H-tetrazol-5-yl)phenyl]amino]propyl]phenylalaninamide
Homo sapiens
-
-
0.00047
3-[[2-amino-6-([2-(2-chlorophenyl)-5-[4-(pentyloxy)phenyl]-1H-pyrrol-1-yl]methyl)pyridin-3-yl]amino]propan-1-ol
Homo sapiens
-
pH and temperature not specified in the publication
0.0071
4-(4-[1-[(6-aminopyridin-2-yl)methyl]-5-(2-chlorophenyl)-1H-pyrrol-2-yl]phenoxy)butanenitrile
Homo sapiens
-
pH and temperature not specified in the publication
0.00011
4-(cyclohexylamino)-1-(4-fluorobenzyl)-8-[(2'-methylbiphenyl-4-yl)methyl]-1,3,8-triazaspiro[4.5]dec-3-en-2-one
Homo sapiens
-
-
0.00795
4-(dipropylsulfamoyl)-N-[(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl]butanamide
Homo sapiens
-
pH and temperature not specified in the publication
0.09
4-bromo-N-[(4-bromophenyl)sulfonyl]-N-[1-(3,4-dichlorobenzyl)-1H-pyrazol-4-yl]benzenesulfonamide
Homo sapiens
-
in 50 mM Tris (pH 7.5), at 25°C
0.0018
4-[1-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethyl]-1-methyl-1H-imidazol-2-amine
Homo sapiens
-
pH and temperature not specified in the publication
0.00047
4-[2-(2-methoxy-5-nitrophenyl)-1-(4-methoxyphenyl)ethyl]-1-methyl-1H-imidazol-2-amine
Homo sapiens
-
pH and temperature not specified in the publication
0.000063
4-[4-fluoro-5-methoxy-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-yl]-1-methyl-1H-imidazol-2-amine
Homo sapiens
-
pH and temperature not specified in the publication
0.0032
4-[5-methoxy-2-(2-methoxy-5-nitrophenyl)-2,3-dihydro-1H-inden-1-yl]-1-methyl-1H-imidazol-2-amine
Homo sapiens
-
pH and temperature not specified in the publication
0.00035
4-[5-methoxy-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-yl]-1-methyl-1H-imidazol-2-amine
Homo sapiens
-
pH and temperature not specified in the publication
0.008
4-[8-benzyl-4-(cyclohexylamino)-2-oxo-1,3,8-triazaspiro[4.5]dec-3-en-1-yl]benzamide
Homo sapiens
-
-
4
4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
Homo sapiens
pH and temperature not specified in the publication
0.02
5-[(E)-benzylideneamino]-6-methoxy-N4-phenylpyrimidine-2,4-diamine
Homo sapiens
pH and temperature not specified in the publication
0.012
5-[(E)-[(2,4,-diclorophenyl)methylidene]amino]-6-methoxy-N4-phenylpyrimidine-2,4-diamine
Homo sapiens
pH and temperature not specified in the publication
0.075
5-[(E)-[(2-chlorophenyl)methylidene]amino]-6-methoxy-N4-phenylpyrimidine-2,4-diamine
Homo sapiens
pH and temperature not specified in the publication
0.00232
5-[2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-5-oxo-4,5-dihydro-1H-imidazol-4-yl]biphenyl-2-carbonitrile
Homo sapiens
pH and temperature not specified in the publication
0.00055
5-[2-amino-4-(biphenyl-3-yl)-1-methyl-5-oxo-4,5-dihydro-1H-imidazol-4-yl]-2-methoxybenzonitrile
Homo sapiens
pH and temperature not specified in the publication
0.64
6,7-furano-5,8a-dimethoxy hydrocoumaric acid methyl ester
Homo sapiens
-
in 50 mM sodium acetate, pH 4.5, at 25°C
0.1856
6,7-furano-5-prenyloxy hydrocoumaric acid
Homo sapiens
-
in 50 mM sodium acetate, pH 4.5, at 25°C
0.0305
6,7-furano-5-prenyloxy hydrocoumaric acid methyl ester
Homo sapiens
-
in 50 mM sodium acetate, pH 4.5, at 25°C
0.2033
6,7-furano-8a-methoxy-5-prenyloxy hydrocoumaric acid
Homo sapiens
-
in 50 mM sodium acetate, pH 4.5, at 25°C
0.0162
6,7-furano-8a-methoxy-5-prenyloxy hydrocoumaric acid methyl ester
Homo sapiens
-
in 50 mM sodium acetate, pH 4.5, at 25°C
0.0018
6-fluoro-2-(3-(7-fluoroimidazo[1,2-a]pyridin-2-yl)phenyl)-1H-benzo[d]imidazole
Homo sapiens
pH 4.5, 25°C
0.000035
6-fluoro-2-(3-(imidazo[1,2-a]pyridin-2-yl)phenyl)-1H-benzo-[d]imidazole
Homo sapiens
pH 4.5, 25°C
0.044
6-methoxy-5-[(E)-(4-methylbenzylidene)amino]-N4-phenylpyrimidine-2,4-diamine
Homo sapiens
pH and temperature not specified in the publication
0.05
6-methoxy-5-[(E)-[(2-nitrophenyl)methylidene]amino]-N4-phenylpyrimidine-2,4-diamine
Homo sapiens
pH and temperature not specified in the publication
0.038
6-methoxy-N4-phenyl-5-[(E)-[4-(trifluoromethyl)benzylidene]amino]pyrimidine-2,4-diamine
Homo sapiens
pH and temperature not specified in the publication
0.00859
7-phloroethol
Homo sapiens
-
in 50 mM sodium acetate, pH 4.5, at 25°C
0.0383
8,8-diphenyl-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine
Homo sapiens
-
temperature not specified in the publication, in 20 mM Tris-HCl, pH 7.4
0.0046
8-(biphenyl-4-ylmethyl)-4-(cyclohexylamino)-1-(4-fluorobenzyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one
Homo sapiens
-
-
0.011
8-benzyl-4-(cyclohexylamino)-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one
Homo sapiens
-
-
0.039
aloeresin D
Rattus norvegicus
-
-
0.0269
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
-
pH and temperature not specified in the publication
0.0391
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
-
pH and temperature not specified in the publication
0.0282
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
-
pH and temperature not specified in the publication
0.0155
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
-
pH and temperature not specified in the publication
0.009
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
-
pH and temperature not specified in the publication
0.0161
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
-
pH and temperature not specified in the publication
0.0152
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
-
pH and temperature not specified in the publication
0.0284
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
-
pH and temperature not specified in the publication
0.0149
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
-
pH and temperature not specified in the publication
0.0214
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
-
pH and temperature not specified in the publication
0.0081
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
-
pH and temperature not specified in the publication
0.0095
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
-
pH and temperature not specified in the publication
0.011
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
-
pH and temperature not specified in the publication
0.000003
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
-
pH and temperature not specified in the publication
0.0000098 - 0.0000124
beta-secretase inhibitor IV
0.0205
C-2'-decoumaroyl-aloeresin G
Rattus norvegicus
-
-
0.2
caffeic acid
Homo sapiens
at pH 4.5 and 23°C
0.03995
cryptotanshinone
Homo sapiens
at pH 4.5 and 23°C
0.03034
dehydrodanshenol A
Homo sapiens
at pH 4.5 and 23°C
0.01153
deoxyneocryptotanshinone
Homo sapiens
at pH 4.5 and 23°C
0.00221
dieckol
Homo sapiens
-
in 50 mM sodium acetate, pH 4.5, at 25°C
0.00535
dioxinodehydroeckol
Homo sapiens
-
in 50 mM sodium acetate, pH 4.5, at 25°C
0.0122
eckol
Homo sapiens
-
in 50 mM sodium acetate, pH 4.5, at 25°C
0.000603 - 0.000651
EVD(statine)VAEF
0.00045 - 0.000452
EVE(statine)VAEF
0.004673 - 0.005319
EVG(statine)VAEF
0.000251 - 0.000265
EVL(statine)VAEF
0.0000014 - 0.0000016
EVNLAAEF
0.0066 - 0.00754
EVW(statine)VAEF
0.000118 - 0.000126
EVY(statine)VAEF
0.2
ferruginol
Homo sapiens
at pH 4.5 and 23°C
0.10306
grandifolia F
Homo sapiens
at pH 4.5 and 23°C
-
0.001
GRL-8234
Homo sapiens
i.e. inhibitor 24, in Chinese hamster ovary cells
0.0918
imperatorin
Homo sapiens
-
in 50 mM sodium acetate, pH 4.5, at 25°C
0.2442
isoimperatorin
Homo sapiens
-
in 50 mM sodium acetate, pH 4.5, at 25°C
0.0312
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
-
pH and temperature not specified in the publication
0.0328
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
-
pH and temperature not specified in the publication
0.0296
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
-
pH and temperature not specified in the publication
0.0232
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
-
pH and temperature not specified in the publication
0.0261
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
-
pH and temperature not specified in the publication
0.0266
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
-
pH and temperature not specified in the publication
0.0264
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
-
pH and temperature not specified in the publication
0.0293
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
-
pH and temperature not specified in the publication
0.0271
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
-
pH and temperature not specified in the publication
0.0293
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
-
pH and temperature not specified in the publication
0.0331
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
-
pH and temperature not specified in the publication
0.041
KTEETSEVN(statine)VAEF
Homo sapiens
i.e. P10-P40 StatVal, dose-dependent inhibition shown, cleavage determined by fluoresence assay
0.0034
kuwanon
Homo sapiens
-
prenylated flavone from the stem bark of Morus lhou, pH not specified in the publication, temperature not specified in the publication
0.0053
kuwanon A
Homo sapiens
-
pH not specified in the publication, temperature not specified in the publication
0.000012
L-alpha-glutamyl-L-leucyl-N-[(2S,5S,8S,14R)-2-carboxy-5-(carboxymethoxy)-13-hydroxy-11,16-dimethyl-13-oxido-4,7,10-trioxo-1-phenyl-8-(propan-2-yl)-3,6,9-triaza-13-lambda5-phosphaheptadecan-14-yl]-L-alpha-asparagine
Homo sapiens
-
pH and temperature not specified in the publication
0.0005
luteolin
Perilla frutescens
-
non-competitive inhibition
0.0002
Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn-(statine)-Val-Ala-Glu-Phe-OH
Homo sapiens
-
in 50 mM sodium acetate, pH 4.5, at 25°C
0.00012
Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn-Sta-Val-Ala-Glu-Phe
Homo sapiens
-
in 50 mM Tris (pH 7.5), at 25°C
0.00014
Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn-[statine(3S,4S)]-Val-Ala-Glu-Phe-OH
0.03035
magnesium lithospermate
Homo sapiens
at pH 4.5 and 23°C
0.0356
methyl tanshinonate
Homo sapiens
at pH 4.5 and 23°C
0.000003
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
-
pH and temperature not specified in the publication
0.0594
morusin
Homo sapiens
-
prenylated flavone from the stem bark of Morus lhou, pH not specified in the publication, temperature not specified in the publication
0.000005
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
-
pH and temperature not specified in the publication
0.00031
N'-[(2S,3R)-3-hydroxy-4-[(3-iodobenzyl)amino]-1-phenylbutan-2-yl]-N,N-dipropylbenzene-1,3-dicarboxamide
Homo sapiens
-
pH and temperature not specified in the publication
0.0005
N'-[(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl]-N,N-dipropylbenzene-1,3-dicarboxamide
Homo sapiens
-
pH and temperature not specified in the publication
0.0122
N,N'-bis(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2,2,3,3,4,4,5,5-octafluorohexanediamide
Homo sapiens
-
in 50 mM Tris (pH 7.5), at 25°C
0.000015 - 0.00046
N-((1S,2R)-1-benzyl-3-cyclopropylamino-2-hydroxy-propyl)-5-(methanesulfonyl-methyl-amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide
0.0361
N-((4aRS,6RS,8aSR)-2-amino-5,6,7,8-tetrahydro-4H-4a,8a-(methanooxymethano)benzo[d][1,3]thiazin-6-yl)-3-chlorobenzamide
Homo sapiens
pH and temperature not specified in the publication
0.00183
N-(2-amino-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-6-yl)-3-chlorobenzamide
Homo sapiens
pH and temperature not specified in the publication
0.024
N-(2-methyl-5-[(6-phenylpyrimidin-4-yl)amino]phenyl)methanesulfonamide
Homo sapiens
-
-
0.000076
N-(2-methylpropyl)-N2-([17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.16,10]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl)-L-norleucinamide
Homo sapiens
-
-
0.0000083
N-(3-((4R,5R)-2-amino-5-methoxy-4-methyl-5,6-dihydro-4H-1,3-thiazin-4-yl)-4-fluorophenyl)-5-(fluoromethoxy)pyrazine-2-carboxamide
Homo sapiens
pH and temperature not specified in the publication
0.0000032
N-(3-((4S,5R)-2-amino-4-methyl-5-(tetrahydro-2H-pyran-4-yl)-5,6-dihydro-4H-1,3-thiazin-4-yl)-4-fluorophenyl)-5-(fluoromethoxy)pyrazine-2-carboxamide
Homo sapiens
pH and temperature not specified in the publication
0.0000017
N-(3-((4S,5R)-2-amino-4-methyl-5-phenyl-5,6-dihydro-4H-1,3-thiazin-4-yl)-4-fluorophenyl)-5-(fluoromethoxy)pyrazine-2-carboxamide
Homo sapiens
pH and temperature not specified in the publication
0.0000033
N-(3-((4S,5S)-2-amino-4-methyl-5-phenyl-5,6-dihydro-4H-1,3-thiazin-4-yl)-4-fluorophenyl)-5-(fluoromethoxy)pyrazine-2-carboxamide
Homo sapiens
pH and temperature not specified in the publication
0.0175
N-(4-(3-bromophenyl)thiazol-2-yl)-2-((5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl)thio)acetamide
Homo sapiens
at pH 4.5 and 25°C
0.0032
N-(4-(4-amino-3,5-dichlorophenyl)-1H-imidazol-2-yl)-2-((5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl)thio)acetamide
Homo sapiens
at pH 4.5 and 25°C
0.0135
N-(4-(4-amino-3,5-dichlorophenyl)thiazol-2-yl)-2-((5-cyano-4-(3-ethoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl)thio)acetamide
Homo sapiens
at pH 4.5 and 25°C
0.0077
N-(4-(4-amino-3,5-dichlorophenyl)thiazol-2-yl)-2-((5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl)thio)acetamide
Homo sapiens
at pH 4.5 and 25°C
0.0134
N-(4-(4-amino-3,5-dichlorophenyl)thiazol-2-yl)-2-((5-cyano-6-oxo-4-(3-(trifluoromethyl)phenyl)-1,6-dihydropyrimidin-2-yl)thio)acetamide
Homo sapiens
at pH 4.5 and 25°C
0.0028
N-(4-([4-(cyclohexylamino)-1-(3-fluorophenyl)-2-oxo-1,3,8-triazaspiro[4.5]dec-3-en-8-yl]methyl)phenyl)acetamide
Homo sapiens
-
-
0.015
N-(5-([6-(4-(N,N-dimethyl)aminophenyl)pyrimidin-4-yl]amino)-2-methylphenyl)-N-methylmethanesulfonamide
Homo sapiens
-
-
0.021
N-(5-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-yl]amino]-2-methylphenyl)-N-methylmethanesulfonamide
Homo sapiens
-
-
0.00231
N-(tert-butoxycarbonyl)-L-leucyl-N-[(4S,5S,7R)-5-hydroxy-2,7-dimethyl-8-[(2-methylpropyl)amino]-8-oxooctan-4-yl]-L-phenylalaninamide
Homo sapiens
-
pH and temperature not specified in the publication
0.000027
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
-
pH and temperature not specified in the publication
0.004
N-acetyl-L-alanyl-N-[(4S,5S,7R)-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxooctan-4-yl]-L-methioninamide
Homo sapiens
-
pH and temperature not specified in the publication
0.00012
N-acetyl-L-leucyl-N-[(4S,5S,7R)-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxooctan-4-yl]-L-alaninamide
Homo sapiens
-
pH and temperature not specified in the publication
0.000053
N-acetyl-L-leucyl-N-[(4S,5S,7R)-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxooctan-4-yl]-L-methioninamide
Homo sapiens
-
pH and temperature not specified in the publication
0.00037
N-acetyl-L-valyl-N-[(4S,5S,7R)-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxooctan-4-yl]-L-methioninamide
Homo sapiens
-
pH and temperature not specified in the publication
0.0116
N-benzyloxycarbonyl-Val-Leu-leucinal
Rattus norvegicus
-
-
0.000005
N-[(1R,2S)-1-benzyl-2-hydroxy-3-[[3-(trifluoromethyl)benzyl]amino]propyl]-3-(1,1-dioxido-1,2-thiazinan-2-yl)-5-(ethylamino)-2-fluorobenzamide
Homo sapiens
-
-
0.000002
N-[(1S)-1-[(butylsulfonyl)methyl]-2-([1-(3,5-difluorobenzyl)-3-[(3-ethylbenzyl)amino]-2-hydroxypropyl]amino)-2-oxoethyl]benzamide
Homo sapiens
-
-
0.36
N-[(1S,2S)-1-benzyl-2-hydroxy-3-oxo-3-[[3-(2H-tetrazol-5-yl)phenyl]amino]propyl]-4-oxo-6-[[(4S)-4-phenyl-1,3-oxazolidin-3-yl]carbonyl]-1,4-dihydropyridine-2-carboxamide
Homo sapiens
i.e. KMI-1030, BACE1 inhibitors with a 5-membered ring at the P3 position and their BACE1 inhibitory activities summarized
0.05
N-[(1S,2S)-1-benzyl-2-hydroxy-3-oxo-3-[[3-(2H-tetrazol-5-yl)phenyl]amino]propyl]-4-oxo-6-[[(4S)-4-phenyl-1,3-oxazolidin-3-yl]carbonyl]-4H-pyran-2-carboxamide
Homo sapiens
i.e. KMI-1027, BACE1 inhibitors with a 5-membered ring at the P3 position and their BACE1 inhibitory activities summarized
0.14
N-[(1S,2S)-1-benzyl-2-hydroxy-3-oxo-3-[[3-(2H-tetrazol-5-yl)phenyl]amino]propyl]-6-[[(4S)-4-phenyl-1,3-oxazolidin-3-yl]carbonyl]pyridine-2-carboxamide
Homo sapiens
i.e. KMI-1023, BACE1 inhibitors with a 5-membered ring at the P3 position and their BACE1 inhibitory activities summarized
0.00011
N-[(1Z)-amino(butylamino)methylidene]-2-[2-(2-chlorophenyl)-5-(4-propoxyphenyl)-1H-pyrrol-1-yl]acetamide
Homo sapiens
-
-
0.000015
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
-
pH and temperature not specified in the publication
0.000002
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
-
pH and temperature not specified in the publication
0.000053
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
-
pH and temperature not specified in the publication
0.000002
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
-
pH and temperature not specified in the publication
0.000004
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
-
pH and temperature not specified in the publication
0.000002
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
-
pH and temperature not specified in the publication
0.000001
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
-
pH and temperature not specified in the publication
0.000049
N-[(2R)-2-amino-1-benzyl-3-fluoropropyl]-2-[[(2-methylcyclopropyl)methyl]amino]-6-[methyl[(1-methylethyl)sulfonyl]amino]pyridine-4-carboxamide
Homo sapiens
-
-
0.00467
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
Homo sapiens
-
pH and temperature not specified in the publication
0.000004
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
-
pH and temperature not specified in the publication
0.000005
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
-
pH and temperature not specified in the publication
0.000004
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
-
pH and temperature not specified in the publication
0.000004
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
-
pH and temperature not specified in the publication
0.000002
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
-
pH and temperature not specified in the publication
0.000005
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
-
pH and temperature not specified in the publication
0.0041
N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-iodobenzyl)amino]butan-2-yl]-3-methylbenzamide
Homo sapiens
-
pH and temperature not specified in the publication
0.005214
N-[(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl]-3-(phenylsulfonyl)propanamide
Homo sapiens
-
pH and temperature not specified in the publication
0.003785
N-[(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl]-3-(piperidin-1-ylsulfonyl)propanamide
Homo sapiens
-
pH and temperature not specified in the publication
0.005015
N-[(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl]-3-[(3-methylbutyl)sulfamoyl]propanamide
Homo sapiens
-
pH and temperature not specified in the publication
0.005614
N-[(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl]-3-[(3-methylbutyl)sulfonyl]propanamide
Homo sapiens
-
pH and temperature not specified in the publication
0.004131
N-[(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl]-4-(phenylsulfonyl)butanamide
Homo sapiens
-
pH and temperature not specified in the publication
0.006461
N-[(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl]-4-(piperidin-1-ylsulfonyl)butanamide
Homo sapiens
-
pH and temperature not specified in the publication
0.000002
N-[(4S)-4-[(1R)-1-hydroxy-2-([1-[3-(propan-2-yl)phenyl]cyclopropyl]amino)ethyl]-2-oxo-11-oxa-3,16-diazatricyclo[15.3.1.1(6,10)]docosa-1(21),6(22),7,9,17,19-hexaen-19-yl]-N-methylpropane-1-sulfonamide
Homo sapiens
-
pH and temperature not specified in the publication
0.000001
N-[(4S)-4-[(1R)-1-hydroxy-2-[[3-(propan-2-yl)benzyl]amino]ethyl]-2-oxo-11-oxa-3,16-diazatricyclo[15.3.1.1(6,10)]docosa-1(21),6(22),7,9,17,19-hexaen-19-yl]-N-methylpropane-1-sulfonamide
Homo sapiens
-
pH and temperature not specified in the publication
0.000616
N-[(4S,5S,7R)-2-[7-(1-benzylpiperidin-4-yl)]methylcarbamoyl-5-hydroxy-2-methyloct-4-yl]-N'-[(R)-1-(4-fluorophenyl)ethyl-5-methyl(methylsulfonyl)amino]isophthalamide
Homo sapiens
-
pH 4.0
0.00264
N-[(4S,5S,7R)-5-hydroxy-2,7-dimethyl-8-[(2-methylpropyl)amino]-8-oxooctan-4-yl]-4-nitro-Nalpha-(4-nitrobenzoyl)-L-phenylalaninamide
Homo sapiens
-
pH and temperature not specified in the publication
0.00379
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
Homo sapiens
-
pH and temperature not specified in the publication
0.01573
N-[(4S,5S,7R)-5-hydroxy-2,7-dimethyl-8-[(2-methylpropyl)amino]-8-oxooctan-4-yl]-Nalpha-(4-nitrobenzoyl)-L-phenylalaninamide
Homo sapiens
-
pH and temperature not specified in the publication
0.01954
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
Homo sapiens
-
pH and temperature not specified in the publication
0.000002
N-[(5R)-5-amino-5-methyl-4,16-dioxo-14-phenyl-3-oxa-15-azatricyclo[15.3.1.17,11]docosa-1(21),7(22),8,10,17,19-hexaen-19-yl]-N-methylmethanesulfonamide
Homo sapiens
-
-
0.0286
N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino][(3-nitrophenyl)amino]methylidene]-10H-phenothiazine-10-carboxamide
Homo sapiens
-
in 50 mM Tris (pH 7.5), at 25°C
0.000005
N-[1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-iodobenzyl)amino]propyl]-5-methyl-N'-propylbenzene-1,3-dicarboxamide
Homo sapiens
-
-
0.00012 - 0.0028
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(6-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-benzothiazol-2-yl)sulfanyl]acetamide
0.0000025
N-[3-(9H-carbazol-9-yl)-2-hydroxypropyl]-3,4-dichloro-N-phenylbenzamide
Homo sapiens
pH not specified in the publication, temperature not specified in the publication
0.0000038
N-[3-(9H-carbazol-9-yl)-2-hydroxypropyl]-4-methoxy-N-phenylbenzamide
Homo sapiens
pH not specified in the publication, temperature not specified in the publication
0.0000048
N-[3-(9H-carbazol-9-yl)-2-hydroxypropyl]-N-(2-phenylethyl)benzamide
Homo sapiens
pH not specified in the publication, temperature not specified in the publication
0.1
N-[5-(2,3-dichlorobenzyl)-1,3-thiazol-2-yl]-4-([[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl]methyl)benzamide
Homo sapiens
-
IC50 above 0.1 mM, in 50 mM Tris (pH 7.5), at 25°C
0.00023
N1-((2S,3S)-4-(4-(diethylcarbamoyl)-1H-pyrazol-1-yl)-3-hydroxy-1-phenylbutan-2-yl)-N3-((R)-1-(4-fluorophenyl)ethyl)-5-(N-methylmethylsulfonamido)isophthalamide
Homo sapiens
pH not specified in the publication, temperature not specified in the publication
0.000036
N1-((R)-1-(4-fluorophenyl)ethyl)-N3-((2S,3S)-3-hydroxy-4-(4-((R)-1-hydroxy ethyl)-1H-1,2,3-triazol-1-yl)-1-phenylbutan-2-yl)-5-(N-methylmethylsulfonamido)isophthalamide
Homo sapiens
pH not specified in the publication, temperature not specified in the publication
0.000004 - 0.000013
N2-acetyl-3-(butylsulfonyl)-N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]-D-alaninamide
0.0161
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
-
pH and temperature not specified in the publication
0.0162
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
-
pH and temperature not specified in the publication
0.00807
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
Homo sapiens
-
pH and temperature not specified in the publication
0.00424
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
Homo sapiens
-
pH and temperature not specified in the publication
0.00381
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
Homo sapiens
-
pH and temperature not specified in the publication
0.00693
Nalpha-benzoyl-N-[(4S,5S,7R)-5-hydroxy-2,7-dimethyl-8-[(2-methylpropyl)amino]-8-oxooctan-4-yl]-L-phenylalaninamide
Homo sapiens
-
pH and temperature not specified in the publication
0.000017
NB-216
Homo sapiens
-
pH and temperature not specified in the publication
0.000006
OM00-3
Homo sapiens
-
pH and temperature not specified in the publication
0.0000024 - 0.0007
OM99-2
0.02119 - 0.482
pepstatin A
0.00213
phlorofurofucoeckol-A
Homo sapiens
-
in 50 mM sodium acetate, pH 4.5, at 25°C
0.03647
phloroglucinol
Homo sapiens
-
in 50 mM sodium acetate, pH 4.5, at 25°C
0.000004
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
-
pH and temperature not specified in the publication
0.000003
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
-
pH and temperature not specified in the publication
0.01049 - 0.01082
quercetin
0.0021 - 0.02977
rosmarinic acid
0.000015
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
-
pH and temperature not specified in the publication
0.01301
salvianolic acid A
Homo sapiens
at pH 4.5 and 23°C
0.00918
salvianolic acid C
Homo sapiens
at pH 4.5 and 23°C
0.09822
tanshinol B
Homo sapiens
at pH 4.5 and 23°C
0.03402
tanshinonal
Homo sapiens
at pH 4.5 and 23°C
0.02846
tanshinone I
Homo sapiens
at pH 4.5 and 23°C
0.09186
tanshinone IIA
Homo sapiens
at pH 4.5 and 23°C
0.2
tanshinone IIB
Homo sapiens
at pH 4.5 and 23°C
0.0304
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
-
pH and temperature not specified in the publication
0.0319
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
-
pH and temperature not specified in the publication
0.0246
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
-
pH and temperature not specified in the publication
0.01168
triphloroethol A
Homo sapiens
-
in 50 mM sodium acetate, pH 4.5, at 25°C
additional information
additional information
Homo sapiens
beta-secretase inhibitors with a hydroxymethylcarbonyl (HMC) isostere used as a substrate transition-state mimic, potent BACE1 inhibitory activities of about 0.0012 mM IC50 shown, BACE1 inhibitors with a 5-membered ring at the P3 position and their BACE1 inhibitory activities summarized
-
0.00311
(-)-gallocatechin gallate
Homo sapiens
-
free enzyme, pH and temperature not specified in the publication
0.1275
(-)-gallocatechin gallate
Homo sapiens
-
enzyme reactor-immobilized enzyme, pH and temperature not specified in the publication
0.00017
(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
-
pH and temperature not specified in the publication
0.0008
(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
-
pH and temperature not specified in the publication
0.0015
(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
-
pH and temperature not specified in the publication
0.0027
(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
-
pH and temperature not specified in the publication
0.0038
(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
-
pH and temperature not specified in the publication
0.0042
(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
-
pH and temperature not specified in the publication
0.00037
(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
-
pH and temperature not specified in the publication
0.0037
(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
-
pH and temperature not specified in the publication
0.0000025
(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
-
pH and temperature not specified in the publication
0.00014
(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
-
pH and temperature not specified in the publication
0.000025
(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
-
pH and temperature not specified in the publication
0.00096
(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
-
pH and temperature not specified in the publication
0.00058
(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
-
pH and temperature not specified in the publication
0.0037
(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
-
pH and temperature not specified in the publication
0.00015
(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
-
pH and temperature not specified in the publication
0.0002
(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
-
pH and temperature not specified in the publication
0.00078
2-amino-5-[3-(2-fluoropyridin-3-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-3-methyl-3,5-dihydro-4H-imidazol-4-one
Homo sapiens
pH and temperature not specified in the publication
0.00078
2-amino-5-[3-(2-fluoropyridin-3-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-3-methyl-3,5-dihydro-4H-imidazol-4-one
Homo sapiens
-
temperature not specified in the publication, in 20 mM Tris-HCl, pH 7.4
0.00002
2-amino-5-[4-fluoro-3-(pyrimidin-5-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-3-methyl-3,5-dihydro-4H-imidazol-4-one
Homo sapiens
pH not specified in the publication, temperature not specified in the publication
0.0028
2-amino-5-[4-fluoro-3-(pyrimidin-5-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-3-methyl-3,5-dihydro-4H-imidazol-4-one
Homo sapiens
pH and temperature not specified in the publication
0.0000012
3-[(2H-tetrazol-5-ylcarbonyl)amino]-L-alanyl-L-valyl-N-((1S,2R)-1-benzyl-3-[(3,5-di-2H-tetrazol-5-ylphenyl)amino]-2-hydroxy-3-oxopropyl)-L-leucinamide
Homo sapiens
-
0.0002 mM, complete inhibition, IC50: 1.2 nM
0.0012
3-[(2H-tetrazol-5-ylcarbonyl)amino]-L-alanyl-L-valyl-N-((1S,2R)-1-benzyl-3-[(3,5-di-2H-tetrazol-5-ylphenyl)amino]-2-hydroxy-3-oxopropyl)-L-leucinamide
Homo sapiens
i.e. KMI-684, used as a substrate transition-state mimic
0.0000039
3-[(2H-tetrazol-5-ylcarbonyl)amino]-L-alanyl-L-valyl-N-((1S,2R)-1-benzyl-3-[(3,5-dicarboxyphenyl)amino]-2-hydroxy-3-oxopropyl)-L-leucinamide
Homo sapiens
-
0.0002 mM, 98.1% inhibition, IC50: 3.9 nM
0.0039
3-[(2H-tetrazol-5-ylcarbonyl)amino]-L-alanyl-L-valyl-N-((1S,2R)-1-benzyl-3-[(3,5-dicarboxyphenyl)amino]-2-hydroxy-3-oxopropyl)-L-leucinamide
Homo sapiens
i.e. KMI-429, used as a substrate transition-state mimic
0.0000082
3-[(2H-tetrazol-5-ylcarbonyl)amino]-L-alanyl-L-valyl-N-((1S,2R)-1-benzyl-3-[(3-carboxyphenyl)amino]-2-hydroxy-3-oxopropyl)-L-leucinamide
Homo sapiens
-
0.002 mM, 87.1% inhibition, IC50: 8.2 nM
0.0082
3-[(2H-tetrazol-5-ylcarbonyl)amino]-L-alanyl-L-valyl-N-((1S,2R)-1-benzyl-3-[(3-carboxyphenyl)amino]-2-hydroxy-3-oxopropyl)-L-leucinamide
Homo sapiens
i.e. KMI-420, used as a substrate transition-state mimic
0.0000048
3-[(2H-tetrazol-5-ylcarbonyl)amino]-L-alanyl-L-valyl-N-[(1S,2R)-1-benzyl-2-hydroxy-3-oxo-3-([3-(2H-tetrazol-5-yl)phenyl]amino)propyl]-L-leucinamide
Homo sapiens
-
0.0002 mM, 98.1% inhibition, IC50: 4.8 nM
0.0048
3-[(2H-tetrazol-5-ylcarbonyl)amino]-L-alanyl-L-valyl-N-[(1S,2R)-1-benzyl-2-hydroxy-3-oxo-3-([3-(2H-tetrazol-5-yl)phenyl]amino)propyl]-L-leucinamide
Homo sapiens
i.e. KMI-570, used as a substrate transition-state mimic
0.0000098
beta-secretase inhibitor IV
Homo sapiens
-
using SEVNLDAEFRHDSGYEK-biotin as substrate, in 50 mM sodium acetate, pH 4.5, containing 0.25 mg/ml bovine serum albumin, temperature not specified in the publication
0.0000124
beta-secretase inhibitor IV
Homo sapiens
-
using SEVKMDAEFRHDSGYEK-biotin as substrate, in 50 mM sodium acetate, pH 4.5, containing 0.25 mg/ml bovine serum albumin, temperature not specified in the publication
0.000603
EVD(statine)VAEF
Mus musculus
-
IC50: 0.000603 mM
0.000651
EVD(statine)VAEF
Homo sapiens
-
IC50: 0.000651 mM
0.00045
EVE(statine)VAEF
Homo sapiens
-
IC50: 0.00045 mM
0.000452
EVE(statine)VAEF
Mus musculus
-
IC50: 0.000452 mM
0.004673
EVG(statine)VAEF
Mus musculus
-
IC50: 0.004673 mM
0.005319
EVG(statine)VAEF
Homo sapiens
-
IC50: 0.005319 mM
0.000251
EVL(statine)VAEF
Mus musculus
-
IC50: 0.000251 mM
0.000265
EVL(statine)VAEF
Homo sapiens
-
IC50: 0.000265 mM
0.0000014
EVNLAAEF
Mus musculus
-
Leu in the transition state isostere, i.e. OM99-2, IC50: 0.0000014 mM
0.0000016
EVNLAAEF
Homo sapiens
-
Leu in the transition state isostere, i.e. OM99-2, IC50: 0.0000016 mM
0.0066
EVW(statine)VAEF
Mus musculus
-
IC50: 0.0066 mM
0.00754
EVW(statine)VAEF
Homo sapiens
-
IC50: 0.00754 mM
0.000118
EVY(statine)VAEF
Homo sapiens
-
IC50: 0.000118 mM
0.000126
EVY(statine)VAEF
Mus musculus
-
IC50: 0.000126 mM
0.00014
Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn-[statine(3S,4S)]-Val-Ala-Glu-Phe-OH
Homo sapiens
-
enzyme reactor-immobilized enzyme, pH and temperature not specified in the publication
0.00014
Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn-[statine(3S,4S)]-Val-Ala-Glu-Phe-OH
Homo sapiens
-
free enzyme, pH and temperature not specified in the publication
0.000015
N-((1S,2R)-1-benzyl-3-cyclopropylamino-2-hydroxy-propyl)-5-(methanesulfonyl-methyl-amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide
Homo sapiens
-
pH and temperature not specified in the publication
0.00046
N-((1S,2R)-1-benzyl-3-cyclopropylamino-2-hydroxy-propyl)-5-(methanesulfonyl-methyl-amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide
Homo sapiens
-
enzyme reactor-immobilized enzyme, pH and temperature not specified in the publication
0.00012
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(6-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-benzothiazol-2-yl)sulfanyl]acetamide
Homo sapiens
pH not specified in the publication, temperature not specified in the publication
0.0028
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(6-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-benzothiazol-2-yl)sulfanyl]acetamide
Homo sapiens
-
in 50 mM Tris (pH 7.5), at 25°C
0.000004
N2-acetyl-3-(butylsulfonyl)-N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]-D-alaninamide
Homo sapiens
-
pH and temperature not specified in the publication
0.000013
N2-acetyl-3-(butylsulfonyl)-N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylbenzyl)amino]-3-hydroxybutan-2-yl]-D-alaninamide
Homo sapiens
-
pH and temperature not specified in the publication
0.0000024
OM99-2
Homo sapiens
-
using SEVNLDAEFRHDSGYEK-biotin as substrate, in 50 mM sodium acetate, pH 4.5, containing 0.25 mg/ml bovine serum albumin, temperature not specified in the publication
0.0000033
OM99-2
Homo sapiens
-
using SEVKMDAEFRHDSGYEK-biotin as substrate, in 50 mM sodium acetate, pH 4.5, containing 0.25 mg/ml bovine serum albumin, temperature not specified in the publication
0.000014
OM99-2
Homo sapiens
at pH 4.5 and 23°C
0.00004
OM99-2
Homo sapiens
-
free enzyme, pH and temperature not specified in the publication
0.0007
OM99-2
Homo sapiens
-
enzyme reactor-immobilized enzyme, pH and temperature not specified in the publication
0.02119
pepstatin A
Homo sapiens
-
free enzyme, pH and temperature not specified in the publication
0.482
pepstatin A
Homo sapiens
-
enzyme reactor-immobilized enzyme, pH and temperature not specified in the publication
0.01049
quercetin
Homo sapiens
at pH 4.5 and 23°C
0.01082
quercetin
Homo sapiens
-
in 50 mM sodium acetate, pH 4.5, at 25°C
0.0021
rosmarinic acid
Perilla frutescens
-
non-competitive inhibition
0.02977
rosmarinic acid
Homo sapiens
at pH 4.5 and 23°C
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