Application | Comment | Organism |
---|---|---|
medicine | beta-secretase is a therapeutic target for Alzheimer's disease | Homo sapiens |
Inhibitors | Comment | Organism | Structure |
---|---|---|---|
(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 | - |
Homo sapiens | |
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 | |
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 | |
3-[2-amino-6-(phenylcarbonyl)quinazolin-3(4H)-yl]-N-cyclohexyl-N-methylpropanamide | - |
Homo sapiens | |
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 | |
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 | |
4-(2-amino-6-phenoxyquinazolin-3(4H)-yl)-N,4-dicyclohexyl-N-methylbutanamide | - |
Homo sapiens | |
benzyl [2-([1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl]amino)-2-oxo-1-[[(1-propylbutyl)sulfonyl]methyl]ethyl]carbamate | - |
Homo sapiens | |
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 | |
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 | - |
Homo sapiens | |
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 | |
N-[(1S)-1-[(butylsulfonyl)methyl]-2-([1-(3,5-difluorobenzyl)-3-[(3-ethylbenzyl)amino]-2-hydroxypropyl]amino)-2-oxoethyl]benzamide | - |
Homo sapiens | |
N-[(1Z)-amino(butylamino)methylidene]-2-[2-(2-chlorophenyl)-5-(4-propoxyphenyl)-1H-pyrrol-1-yl]acetamide | - |
Homo sapiens | |
N-[(2R)-2-amino-1-benzyl-3-fluoropropyl]-2-[[(2-methylcyclopropyl)methyl]amino]-6-[methyl[(1-methylethyl)sulfonyl]amino]pyridine-4-carboxamide | - |
Homo sapiens | |
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 | - |
Homo sapiens | |
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 | |
N-[1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-iodobenzyl)amino]propyl]-5-methyl-N'-propylbenzene-1,3-dicarboxamide | - |
Homo sapiens | |
N-[1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl]-5-methyl-N'-propylbenzene-1,3-dicarboxamide | - |
Homo sapiens | |
N1-[1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl]-N3-propylbenzene-1,3,5-tricarboxamide | - |
Homo sapiens | |
N1-[1-(3,5-difluorobenzyl)-3-[(3-ethylbenzyl)amino]-2-hydroxypropyl]-N3-propylbenzene-1,3,5-tricarboxamide | - |
Homo sapiens | |
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 | - |
Homo sapiens | |
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 | - |
Homo sapiens | |
OM00-3 | - |
Homo sapiens | |
OM99-2 | - |
Homo sapiens | |
[3-([1-benzyl-2-hydroxy-3-[(1-methylethyl)amino]propyl]carbamoyl)-5-[(1-phenylethyl)carbamoyl]phenyl]methylsulfamic acid | - |
Homo sapiens | |
[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 | - |
Homo sapiens | |
[3-[(1-[1-hydroxy-2-[(3-methoxybenzyl)amino]ethyl]-3-methylbutyl)carbamoyl]-5-[(1-phenylethyl)carbamoyl]phenyl]methylsulfamic acid | - |
Homo sapiens |
Localization | Comment | Organism | GeneOntology No. | Textmining |
---|---|---|---|---|
cell surface | beta-secretase is a type 1 transmembrane protein present at the cell surface | Homo sapiens | 9986 | - |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Homo sapiens | - |
- |
- |
Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
---|---|---|---|---|---|---|
beta-amyloid precursor protein APP + H2O | - |
Homo sapiens | beta-amyloid protein + beta-amyloid precursor protein pre-peptide | - |
? |
Synonyms | Comment | Organism |
---|---|---|
BACE1 | - |
Homo sapiens |
beta-secretase | - |
Homo sapiens |
Ki Value [mM] | Ki Value maximum [mM] | Inhibitor | Comment | Organism | Structure |
---|---|---|---|---|---|
0.00000012 | - |
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 | - |
Homo sapiens | |
0.0000003 | - |
OM00-3 | - |
Homo sapiens | |
0.0000003 | - |
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 | - |
Homo sapiens | |
0.0000011 | - |
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 | - |
Homo sapiens | |
0.0000018 | - |
OM99-2 | - |
Homo sapiens | |
0.000011 | - |
4-(2-amino-6-phenoxyquinazolin-3(4H)-yl)-N,4-dicyclohexyl-N-methylbutanamide | - |
Homo sapiens | |
0.000014 | - |
(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 | - |
Homo sapiens | |
0.000425 | - |
[3-([1-benzyl-2-hydroxy-3-[(1-methylethyl)amino]propyl]carbamoyl)-5-[(1-phenylethyl)carbamoyl]phenyl]methylsulfamic acid | - |
Homo sapiens | |
0.000552 | - |
[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 | - |
Homo sapiens | |
0.0009 | - |
3-[2-amino-6-(phenylcarbonyl)quinazolin-3(4H)-yl]-N-cyclohexyl-N-methylpropanamide | - |
Homo sapiens | |
0.000916 | - |
[3-[(1-[1-hydroxy-2-[(3-methoxybenzyl)amino]ethyl]-3-methylbutyl)carbamoyl]-5-[(1-phenylethyl)carbamoyl]phenyl]methylsulfamic acid | - |
Homo sapiens |
IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
---|---|---|---|---|---|
0.0000012 | - |
- |
Homo sapiens | 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 | |
0.000002 | - |
- |
Homo sapiens | 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 | |
0.000002 | - |
- |
Homo sapiens | N-[(1S)-1-[(butylsulfonyl)methyl]-2-([1-(3,5-difluorobenzyl)-3-[(3-ethylbenzyl)amino]-2-hydroxypropyl]amino)-2-oxoethyl]benzamide | |
0.0000048 | - |
- |
Homo sapiens | 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 | |
0.000005 | - |
- |
Homo sapiens | N-[1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-iodobenzyl)amino]propyl]-5-methyl-N'-propylbenzene-1,3-dicarboxamide | |
0.000005 | - |
- |
Homo sapiens | 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 | |
0.0000056 | - |
- |
Homo sapiens | 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 | |
0.000049 | - |
- |
Homo sapiens | N-[(2R)-2-amino-1-benzyl-3-fluoropropyl]-2-[[(2-methylcyclopropyl)methyl]amino]-6-[methyl[(1-methylethyl)sulfonyl]amino]pyridine-4-carboxamide | |
0.000076 | - |
- |
Homo sapiens | 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 | |
0.00011 | - |
- |
Homo sapiens | N-[(1Z)-amino(butylamino)methylidene]-2-[2-(2-chlorophenyl)-5-(4-propoxyphenyl)-1H-pyrrol-1-yl]acetamide | |
0.00012 | - |
- |
Homo sapiens | 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 |