Inhibitors | Comment | Organism | Structure |
---|---|---|---|
(2S,5S)-4-oxo-5-[[N-(phenylacetyl)-L-isoleucyl]amino]-N-(1H-1,2,3-triazol-4-ylmethyl)-1,2,4,5,6,7-hexahydroazepino[3,2,1-hi]indole-2-carboxamide | - |
Homo sapiens | |
(2S,5S)-5-[(N-acetyl-L-isoleucyl)amino]-4-oxo-N-(1H-1,2,3-triazol-4-ylmethyl)-1,2,4,5,6,7-hexahydroazepino[3,2,1-hi]indole-2-carboxamide | - |
Homo sapiens | |
(2S,5S)-5-[[N-(1-benzothiophen-3-ylacetyl)-L-isoleucyl]amino]-4-oxo-N-(1H-1,2,3-triazol-4-ylmethyl)-1,2,4,5,6,7-hexahydroazepino[3,2,1-hi]indole-2-carboxamide | - |
Homo sapiens | |
(3R)-N-cyclopropyl-1-(3-[[(3-methoxyphenyl)sulfonyl]amino]benzoyl)piperidine-3-carboxamide | - |
Homo sapiens | |
(3S)-N-cycloheptyl-3-methyl-1-oxo-2-(pyridin-2-ylmethyl)-10-(1H-pyrrol-1-yl)-1,2,3,4-tetrahydropyrazino[1,2-a]indole-3-carboxamide | - |
Homo sapiens | |
(5R)-4-(3-methoxybenzyl)-10-methyl-N-(3-methylbutyl)-3-oxo-3,4,5,5a,10,10a-hexahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide | - |
Homo sapiens | |
2-[(4E)-4-[3-methoxy-4-(prop-2-yn-1-yloxy)benzylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide | - |
Homo sapiens | |
2-[(5E)-5-[4-(2-amino-2-oxoethoxy)-3-methoxybenzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(3,4-dimethylphenyl)acetamide | - |
Homo sapiens | |
3-(4-chlorophenyl)-2-([[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-4-phenyl-4,5-dihydro-3H-1,2,4-triazol-3-yl]sulfanyl]methyl)quinazolin-4(3H)-one | - |
Homo sapiens | |
5-[2-(4-chlorophenoxy)ethoxy]-1-cyclohexyl-1H-tetrazole | - |
Homo sapiens | |
hydroxy(6-[2-methoxy-4-[(E)-(3-[2-[(4-methylphenyl)amino]-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]pyridin-3-yl)oxoammonium | - |
Homo sapiens | |
IEPD-CHO | a tetrapeptide aldehyde inhibitor, binding structure analysis from crystal structure, PDB ID 1IAU | Homo sapiens | |
additional information | structure-based design of non-covalent small molecule inhibitors for human granzyme B via virtual screening strategy employing three constraints and probe sitemapping with FTMAP, usage of crystal structure PDB ID 1FQ3 | Homo sapiens | |
N-acetyl-L-isoleucyl-L-alpha-glutamyl-N-[(2S)-1-carboxy-3-oxopropan-2-yl]-L-prolinamide | - |
Homo sapiens |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Homo sapiens | P10144 | - |
- |
Synonyms | Comment | Organism |
---|---|---|
GrB | - |
Homo sapiens |
Temperature Optimum [°C] | Temperature Optimum Maximum [°C] | Comment | Organism |
---|---|---|---|
30 | - |
assay at | Homo sapiens |
pH Optimum Minimum | pH Optimum Maximum | Comment | Organism |
---|---|---|---|
7.4 | - |
assay at | Homo sapiens |
Ki Value [mM] | Ki Value maximum [mM] | Inhibitor | Comment | Organism | Structure |
---|---|---|---|---|---|
0.000007 | - |
(2S,5S)-5-[[N-(1-benzothiophen-3-ylacetyl)-L-isoleucyl]amino]-4-oxo-N-(1H-1,2,3-triazol-4-ylmethyl)-1,2,4,5,6,7-hexahydroazepino[3,2,1-hi]indole-2-carboxamide | pH 7.4, 30°C | Homo sapiens | |
0.013 | - |
(2S,5S)-4-oxo-5-[[N-(phenylacetyl)-L-isoleucyl]amino]-N-(1H-1,2,3-triazol-4-ylmethyl)-1,2,4,5,6,7-hexahydroazepino[3,2,1-hi]indole-2-carboxamide | pH 7.4, 30°C | Homo sapiens | |
0.038 | - |
(2S,5S)-5-[(N-acetyl-L-isoleucyl)amino]-4-oxo-N-(1H-1,2,3-triazol-4-ylmethyl)-1,2,4,5,6,7-hexahydroazepino[3,2,1-hi]indole-2-carboxamide | pH 7.4, 30°C | Homo sapiens | |
0.08 | - |
N-acetyl-L-isoleucyl-L-alpha-glutamyl-N-[(2S)-1-carboxy-3-oxopropan-2-yl]-L-prolinamide | pH 7.4, 30°C | Homo sapiens |
IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
---|---|---|---|---|---|
0.00008 | - |
pH 7.4, 30°C | Homo sapiens | IEPD-CHO | |
0.025 | - |
pH 7.4, 30°C | Homo sapiens | 2-[(5E)-5-[4-(2-amino-2-oxoethoxy)-3-methoxybenzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(3,4-dimethylphenyl)acetamide | |
0.028 | - |
pH 7.4, 30°C | Homo sapiens | hydroxy(6-[2-methoxy-4-[(E)-(3-[2-[(4-methylphenyl)amino]-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]pyridin-3-yl)oxoammonium | |
0.035 | - |
pH 7.4, 30°C | Homo sapiens | 5-[2-(4-chlorophenoxy)ethoxy]-1-cyclohexyl-1H-tetrazole | |
0.044 | - |
pH 7.4, 30°C | Homo sapiens | 3-(4-chlorophenyl)-2-([[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-4-phenyl-4,5-dihydro-3H-1,2,4-triazol-3-yl]sulfanyl]methyl)quinazolin-4(3H)-one | |
0.044 | - |
pH 7.4, 30°C | Homo sapiens | 2-[(4E)-4-[3-methoxy-4-(prop-2-yn-1-yloxy)benzylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide | |
0.045 | - |
pH 7.4, 30°C | Homo sapiens | (3R)-N-cyclopropyl-1-(3-[[(3-methoxyphenyl)sulfonyl]amino]benzoyl)piperidine-3-carboxamide |