Application | Comment | Organism |
---|---|---|
drug development | brain-penetrating cathepsin S inhibitors demonstrate potential clinical utility for the treatment of multiple sclerosis and neuropathic pain | Homo sapiens |
Inhibitors | Comment | Organism | Structure |
---|---|---|---|
2-cyano-4-(2-hydroxyethoxy)-N-methyl-6-[(spiro[3.5]non-7-ylmethyl)amino]pyrimidine-5-carboxamide | brain-penetrating cathepsin S inhibitors | Homo sapiens | |
2-cyano-4-[(1,4-dioxaspiro[4.5]dec-8-ylmethyl)amino]-N-methyl-6-[(1-methylpiperidin-4-yl)methoxy]pyrimidine-5-carboxamide | brain-penetrating cathepsin S inhibitors | Homo sapiens | |
2-cyano-4-[(2-cyclopentylethyl)amino]-N-methyl-6-[(1-methylpiperidin-4-yl)methoxy]pyrimidine-5-carboxamide | brain-penetrating cathepsin S inhibitors | Homo sapiens | |
2-cyano-4-[(6,8-dioxaspiro[3.5]non-7-ylmethyl)amino]-N-methyl-6-[(1-methylpiperidin-4-yl)methoxy]pyrimidine-5-carboxamide | brain-penetrating cathepsin S inhibitors | Homo sapiens | |
2-cyano-4-[[1-(2-hydroxyethyl)piperidin-4-yl]methoxy]-N-methyl-6-[(spiro[3.5]non-7-ylmethyl)amino]pyrimidine-5-carboxamide | brain-penetrating cathepsin S inhibitors | Homo sapiens | |
2-cyano-N-methyl-4-(piperidin-4-ylmethoxy)-6-[(spiro[3.5]non-7-ylmethyl)amino]pyrimidine-5-carboxamide | brain-penetrating cathepsin S inhibitors | Homo sapiens | |
2-cyano-N-methyl-4-[(1-methylpiperidin-4-yl)methoxy]-6-[(spiro[3.5]non-7-ylmethyl)amino]pyrimidine-5-carboxamide | brain-penetrating cathepsin S inhibitors | Homo sapiens | |
2-cyano-N-methyl-4-[(1-methylpiperidin-4-yl)methoxy]-6-[(spiro[4.5]dec-8-ylmethyl)amino]pyrimidine-5-carboxamide | brain-penetrating cathepsin S inhibitors | Homo sapiens | |
2-cyano-N-methyl-4-[(spiro[3.5]non-7-ylmethyl)amino]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]pyrimidine-5-carboxamide | brain-penetrating cathepsin S inhibitors | Homo sapiens | |
2-cyano-N-methyl-4-[2-(1-methylpiperidin-4-yl)ethoxy]-6-[(spiro[2.5]oct-6-ylmethyl)amino]pyrimidine-5-carboxamide | brain-penetrating cathepsin S inhibitors | Homo sapiens | |
2-cyano-N-methyl-4-[2-(1-methylpiperidin-4-yl)ethoxy]-6-[(spiro[3.5]non-7-ylmethyl)amino]pyrimidine-5-carboxamide | brain-penetrating cathepsin S inhibitors | Homo sapiens | |
2-cyano-N-methyl-4-[[1-(1-methylethyl)piperidin-4-yl]methoxy]-6-[(spiro[3.5]non-7-ylmethyl)amino]pyrimidine-5-carboxamide | brain-penetrating cathepsin S inhibitors | Homo sapiens | |
4-[(1-acetylpiperidin-4-yl)methoxy]-2-cyano-N-methyl-6-[(spiro[3.5]non-7-ylmethyl)amino]pyrimidine-5-carboxamide | brain-penetrating cathepsin S inhibitors | Homo sapiens |
Natural Substrates | Organism | Comment (Nat. Sub.) | Natural Products | Comment (Nat. Pro.) | Rev. | Reac. |
---|---|---|---|---|---|---|
additional information | Homo sapiens | in antigen presenting cells Cat S plays an essential role in the proteolytic events that lead to antigen presentation at the cells surface for recognition by T cells | ? | - |
? |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Homo sapiens | P25774 | - |
- |
Source Tissue | Comment | Organism | Textmining |
---|---|---|---|
B-lymphocyte | - |
Homo sapiens | - |
dendritic cell | - |
Homo sapiens | - |
macrophage | - |
Homo sapiens | - |
microglia | - |
Homo sapiens | - |
Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
---|---|---|---|---|---|---|
additional information | in antigen presenting cells Cat S plays an essential role in the proteolytic events that lead to antigen presentation at the cells surface for recognition by T cells | Homo sapiens | ? | - |
? | |
Z-Leu-Leu-Arg-7-amido-4-methylcoumarin + H2O | - |
Homo sapiens | Z-Leu-Leu-Arg + 7-amino-4-methylcoumarin | - |
? |
Synonyms | Comment | Organism |
---|---|---|
cathepsin S | - |
Homo sapiens |
CatS | - |
Homo sapiens |
IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
---|---|---|---|---|---|
additional information | - |
IC50 is above 0.001 mM, determined by a fluorometric assay with recombinant catS employing L-Leu-Leu-Arg-7-amido-4-methylcoumarin as synthetic substrate | Homo sapiens | 2-cyano-4-[(6,8-dioxaspiro[3.5]non-7-ylmethyl)amino]-N-methyl-6-[(1-methylpiperidin-4-yl)methoxy]pyrimidine-5-carboxamide | |
0.000002 | - |
determined by a fluorometric assay with recombinant catS employing L-Leu-Leu-Arg-7-amido-4-methylcoumarin as synthetic substrate | Homo sapiens | 2-cyano-N-methyl-4-[2-(1-methylpiperidin-4-yl)ethoxy]-6-[(spiro[2.5]oct-6-ylmethyl)amino]pyrimidine-5-carboxamide | |
0.000003 | - |
determined by a fluorometric assay with recombinant catS employing L-Leu-Leu-Arg-7-amido-4-methylcoumarin as synthetic substrate | Homo sapiens | 2-cyano-N-methyl-4-[(1-methylpiperidin-4-yl)methoxy]-6-[(spiro[3.5]non-7-ylmethyl)amino]pyrimidine-5-carboxamide | |
0.000003 | - |
determined by a fluorometric assay with recombinant catS employing L-Leu-Leu-Arg-7-amido-4-methylcoumarin as synthetic substrate | Homo sapiens | 2-cyano-N-methyl-4-[(1-methylpiperidin-4-yl)methoxy]-6-[(spiro[4.5]dec-8-ylmethyl)amino]pyrimidine-5-carboxamide | |
0.000003 | - |
determined by a fluorometric assay with recombinant catS employing L-Leu-Leu-Arg-7-amido-4-methylcoumarin as synthetic substrate | Homo sapiens | 2-cyano-N-methyl-4-[[1-(1-methylethyl)piperidin-4-yl]methoxy]-6-[(spiro[3.5]non-7-ylmethyl)amino]pyrimidine-5-carboxamide | |
0.000003 | - |
determined by a fluorometric assay with recombinant catS employing L-Leu-Leu-Arg-7-amido-4-methylcoumarin as synthetic substrate | Homo sapiens | 2-cyano-4-[[1-(2-hydroxyethyl)piperidin-4-yl]methoxy]-N-methyl-6-[(spiro[3.5]non-7-ylmethyl)amino]pyrimidine-5-carboxamide | |
0.000004 | - |
determined by a fluorometric assay with recombinant catS employing L-Leu-Leu-Arg-7-amido-4-methylcoumarin as synthetic substrate | Homo sapiens | 2-cyano-N-methyl-4-[2-(1-methylpiperidin-4-yl)ethoxy]-6-[(spiro[3.5]non-7-ylmethyl)amino]pyrimidine-5-carboxamide | |
0.000005 | - |
determined by a fluorometric assay with recombinant catS employing L-Leu-Leu-Arg-7-amido-4-methylcoumarin as synthetic substrate | Homo sapiens | 2-cyano-N-methyl-4-[(spiro[3.5]non-7-ylmethyl)amino]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]pyrimidine-5-carboxamide | |
0.000005 | - |
determined by a fluorometric assay with recombinant catS employing L-Leu-Leu-Arg-7-amido-4-methylcoumarin as synthetic substrate | Homo sapiens | 2-cyano-N-methyl-4-(piperidin-4-ylmethoxy)-6-[(spiro[3.5]non-7-ylmethyl)amino]pyrimidine-5-carboxamide | |
0.000006 | - |
determined by a fluorometric assay with recombinant catS employing L-Leu-Leu-Arg-7-amido-4-methylcoumarin as synthetic substrate | Homo sapiens | 2-cyano-4-(2-hydroxyethoxy)-N-methyl-6-[(spiro[3.5]non-7-ylmethyl)amino]pyrimidine-5-carboxamide | |
0.00001 | - |
determined by a fluorometric assay with recombinant catS employing L-Leu-Leu-Arg-7-amido-4-methylcoumarin as synthetic substrate | Homo sapiens | 4-[(1-acetylpiperidin-4-yl)methoxy]-2-cyano-N-methyl-6-[(spiro[3.5]non-7-ylmethyl)amino]pyrimidine-5-carboxamide | |
0.000026 | - |
determined by a fluorometric assay with recombinant catS employing L-Leu-Leu-Arg-7-amido-4-methylcoumarin as synthetic substrate | Homo sapiens | 2-cyano-4-[(2-cyclopentylethyl)amino]-N-methyl-6-[(1-methylpiperidin-4-yl)methoxy]pyrimidine-5-carboxamide | |
0.000031 | - |
determined by a fluorometric assay with recombinant catS employing L-Leu-Leu-Arg-7-amido-4-methylcoumarin as synthetic substrate | Homo sapiens | 2-cyano-4-[(1,4-dioxaspiro[4.5]dec-8-ylmethyl)amino]-N-methyl-6-[(1-methylpiperidin-4-yl)methoxy]pyrimidine-5-carboxamide |