Inhibitors | Comment | Organism | Structure |
---|---|---|---|
3-[4-(N-benzyl-N-methylglycyl)-2,3-dihydro-1H-1,2,3-triazol-1-yl]-N-[5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl]-4-methylbenzamide | - |
Homo sapiens | |
3-[4-(N-benzylglycyl)-2,3-dihydro-1H-1,2,3-triazol-1-yl]-N-[5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl]-4-methylbenzamide | crystal structure analysis of the inhibitor bound to p38 | Homo sapiens | |
3-[4-(N-tert-butylglycyl)-2,3-dihydro-1H-1,2,3-triazol-1-yl]-N-[5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl]-4-methylbenzamide | - |
Homo sapiens | |
BIRB 796 | a clinical compound, binds to Asp168 and Glu71, and to Met109 in the ATP binding site | Homo sapiens | |
Cl-1040 | a potent inhibitor of MEK | Homo sapiens | |
ethyl 1-[5-([5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl]carbamoyl)-2-methylphenyl]-2,3-dihydro-1H-1,2,3-triazole-4-carboxylate | - |
Homo sapiens | |
additional information | computer-aided drug design and synthesis of p38 inhibitors based on the 2-tolyl-(1,2,3-triazol-1-yl-4-carboxamide) scaffold, 2-alkylamino- and alkoxy-substituted 2-amino-1,3,4-oxadiazoles-O-alkyl benzohydroxamate esters replacements retain the desired inhibition and selectivity against MEK. Binding affinity of inhibitors to p38 is determined by a thermal denaturation assay, overview | Homo sapiens | |
N-[5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl]-3-(4-[N-[(1R)-1-cyclohexylethyl]glycyl]-2,3-dihydro-1H-1,2,3-triazol-1-yl)-4-methylbenzamide | - |
Homo sapiens | |
N-[5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl]-3-(4-[N-[(1S)-1-cyclohexylethyl]glycyl]-2,3-dihydro-1H-1,2,3-triazol-1-yl)-4-methylbenzamide | - |
Homo sapiens | |
N-[5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl]-3-(4-[N-[(1S)-2-(dimethylamino)-1-phenylethyl]glycyl]-2,3-dihydro-1H-1,2,3-triazol-1-yl)-4-methylbenzamide | - |
Homo sapiens | |
N-[5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl]-3-(4-[N-[2-(dimethylamino)-2-methylpropyl]glycyl]-2,3-dihydro-1H-1,2,3-triazol-1-yl)-4-methylbenzamide | - |
Homo sapiens | |
N-[5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl]-3-(4-[N-[3-(dimethylamino)-2,2-dimethylpropyl]glycyl]-2,3-dihydro-1H-1,2,3-triazol-1-yl)-4-methylbenzamide | - |
Homo sapiens | |
N-[5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl]-3-[4-(N-cyclopropylglycyl)-2,3-dihydro-1H-1,2,3-triazol-1-yl]-4-methylbenzamide | - |
Homo sapiens | |
N-[5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl]-3-[4-[N-(2,2-dimethylpropyl)glycyl]-2,3-dihydro-1H-1,2,3-triazol-1-yl]-4-methylbenzamide | - |
Homo sapiens | |
N-[5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl]-3-[4-[N-(2-hydroxy-2-methylpropyl)glycyl]-2,3-dihydro-1H-1,2,3-triazol-1-yl]-4-methylbenzamide | - |
Homo sapiens | |
N-[5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl]-3-[4-[N-(cyclohexylmethyl)glycyl]-2,3-dihydro-1H-1,2,3-triazol-1-yl]-4-methylbenzamide | - |
Homo sapiens | |
N-[5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl]-4-methyl-3-(4-[N-[(1-methylpiperidin-3-yl)methyl]glycyl]-2,3-dihydro-1H-1,2,3-triazol-1-yl)benzamide | - |
Homo sapiens | |
N-[5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl]-4-methyl-3-(4-[N-[(1-methylpiperidin-4-yl)methyl]glycyl]-2,3-dihydro-1H-1,2,3-triazol-1-yl)benzamide | - |
Homo sapiens | |
N-[5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl]-4-methyl-3-(4-[N-[(1R)-1,2,2-trimethylpropyl]glycyl]-2,3-dihydro-1H-1,2,3-triazol-1-yl)benzamide | - |
Homo sapiens | |
N-[5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl]-4-methyl-3-(4-[N-[(1R)-1-phenylethyl]glycyl]-2,3-dihydro-1H-1,2,3-triazol-1-yl)benzamide | - |
Homo sapiens | |
N-[5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl]-4-methyl-3-(4-[N-[(1S)-1,2,2-trimethylpropyl]glycyl]-2,3-dihydro-1H-1,2,3-triazol-1-yl)benzamide | - |
Homo sapiens | |
N-[5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl]-4-methyl-3-(4-[N-[(1S)-1-phenylethyl]glycyl]-2,3-dihydro-1H-1,2,3-triazol-1-yl)benzamide | - |
Homo sapiens | |
N-[5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl]-4-methyl-3-[4-(N-methylglycyl)-2,3-dihydro-1H-1,2,3-triazol-1-yl]benzamide | - |
Homo sapiens | |
N-[5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl]-4-methyl-3-[4-[N-(pyridin-3-ylmethyl)glycyl]-2,3-dihydro-1H-1,2,3-triazol-1-yl]benzamide | - |
Homo sapiens | |
N-[5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl]-4-methyl-3-[4-[N-(pyridin-4-ylmethyl)glycyl]-2,3-dihydro-1H-1,2,3-triazol-1-yl]benzamide | - |
Homo sapiens |
Natural Substrates | Organism | Comment (Nat. Sub.) | Natural Products | Comment (Nat. Pro.) | Rev. | Reac. |
---|---|---|---|---|---|---|
additional information | Homo sapiens | The mitogen-activated protein kinase p38 is a key regulator in the signaling pathways controlling the production of pro-inflammatory cytokines such as TNF-alpha and IL-1beta | ? | - |
? |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Homo sapiens | Q16539 | - |
- |
Source Tissue | Comment | Organism | Textmining |
---|---|---|---|
blood | - |
Homo sapiens | - |
THP-1 cell | - |
Homo sapiens | - |
Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
---|---|---|---|---|---|---|
additional information | The mitogen-activated protein kinase p38 is a key regulator in the signaling pathways controlling the production of pro-inflammatory cytokines such as TNF-alpha and IL-1beta | Homo sapiens | ? | - |
? |
Synonyms | Comment | Organism |
---|---|---|
p38 MAP kinase | - |
Homo sapiens |
Cofactor | Comment | Organism | Structure |
---|---|---|---|
ATP | - |
Homo sapiens |
IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
---|---|---|---|---|---|
0.000013 | - |
IC50 with THP-1 cells | Homo sapiens | N-[5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl]-4-methyl-3-(4-[N-[(1R)-1-phenylethyl]glycyl]-2,3-dihydro-1H-1,2,3-triazol-1-yl)benzamide | |
0.000014 | - |
IC50 with THP-1 cells | Homo sapiens | N-[5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl]-3-[4-[N-(2,2-dimethylpropyl)glycyl]-2,3-dihydro-1H-1,2,3-triazol-1-yl]-4-methylbenzamide | |
0.000014 | - |
IC50 with THP-1 cells | Homo sapiens | N-[5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl]-3-[4-[N-(cyclohexylmethyl)glycyl]-2,3-dihydro-1H-1,2,3-triazol-1-yl]-4-methylbenzamide | |
0.000016 | - |
IC50 with THP-1 cells | Homo sapiens | N-[5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl]-3-(4-[N-[(1R)-1-cyclohexylethyl]glycyl]-2,3-dihydro-1H-1,2,3-triazol-1-yl)-4-methylbenzamide | |
0.000018 | - |
IC50 with THP-1 cells | Homo sapiens | BIRB 796 | |
0.000018 | - |
IC50 with THP-1 cells | Homo sapiens | N-[5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl]-3-[4-[N-(2-hydroxy-2-methylpropyl)glycyl]-2,3-dihydro-1H-1,2,3-triazol-1-yl]-4-methylbenzamide | |
0.000022 | - |
IC50 with THP-1 cells | Homo sapiens | N-[5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl]-3-(4-[N-[3-(dimethylamino)-2,2-dimethylpropyl]glycyl]-2,3-dihydro-1H-1,2,3-triazol-1-yl)-4-methylbenzamide | |
0.000027 | - |
IC50 with THP-1 cells | Homo sapiens | N-[5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl]-4-methyl-3-(4-[N-[(1S)-1-phenylethyl]glycyl]-2,3-dihydro-1H-1,2,3-triazol-1-yl)benzamide | |
0.000028 | - |
IC50 with THP-1 cells | Homo sapiens | N-[5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl]-4-methyl-3-(4-[N-[(1-methylpiperidin-3-yl)methyl]glycyl]-2,3-dihydro-1H-1,2,3-triazol-1-yl)benzamide | |
0.000029 | - |
IC50 with THP-1 cells | Homo sapiens | 3-[4-(N-benzyl-N-methylglycyl)-2,3-dihydro-1H-1,2,3-triazol-1-yl]-N-[5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl]-4-methylbenzamide | |
0.000035 | - |
IC50 with THP-1 cells | Homo sapiens | N-[5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl]-4-methyl-3-(4-[N-[(1S)-1,2,2-trimethylpropyl]glycyl]-2,3-dihydro-1H-1,2,3-triazol-1-yl)benzamide | |
0.000035 | - |
IC50 with THP-1 cells | Homo sapiens | N-[5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl]-3-(4-[N-[(1S)-2-(dimethylamino)-1-phenylethyl]glycyl]-2,3-dihydro-1H-1,2,3-triazol-1-yl)-4-methylbenzamide | |
0.000038 | - |
IC50 with THP-1 cells | Homo sapiens | N-[5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl]-4-methyl-3-[4-[N-(pyridin-3-ylmethyl)glycyl]-2,3-dihydro-1H-1,2,3-triazol-1-yl]benzamide | |
0.00004 | - |
IC50 with THP-1 cells | Homo sapiens | 3-[4-(N-benzylglycyl)-2,3-dihydro-1H-1,2,3-triazol-1-yl]-N-[5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl]-4-methylbenzamide | |
0.00004 | - |
IC50 with THP-1 cells | Homo sapiens | N-[5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl]-4-methyl-3-(4-[N-[(1R)-1,2,2-trimethylpropyl]glycyl]-2,3-dihydro-1H-1,2,3-triazol-1-yl)benzamide | |
0.000066 | - |
IC50 with THP-1 cells | Homo sapiens | N-[5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl]-3-(4-[N-[(1S)-1-cyclohexylethyl]glycyl]-2,3-dihydro-1H-1,2,3-triazol-1-yl)-4-methylbenzamide | |
0.000074 | - |
IC50 with THP-1 cells | Homo sapiens | N-[5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl]-4-methyl-3-[4-[N-(pyridin-4-ylmethyl)glycyl]-2,3-dihydro-1H-1,2,3-triazol-1-yl]benzamide | |
0.000084 | - |
IC50 with THP-1 cells | Homo sapiens | 3-[4-(N-tert-butylglycyl)-2,3-dihydro-1H-1,2,3-triazol-1-yl]-N-[5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl]-4-methylbenzamide | |
0.00011 | - |
IC50 with THP-1 cells | Homo sapiens | N-[5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl]-4-methyl-3-[4-(N-methylglycyl)-2,3-dihydro-1H-1,2,3-triazol-1-yl]benzamide | |
0.00011 | - |
IC50 with THP-1 cells | Homo sapiens | N-[5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl]-3-[4-(N-cyclopropylglycyl)-2,3-dihydro-1H-1,2,3-triazol-1-yl]-4-methylbenzamide | |
0.00014 | - |
IC50 with THP-1 cells | Homo sapiens | N-[5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl]-3-(4-[N-[2-(dimethylamino)-2-methylpropyl]glycyl]-2,3-dihydro-1H-1,2,3-triazol-1-yl)-4-methylbenzamide | |
0.0002 | - |
IC50 with THP-1 cells | Homo sapiens | N-[5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl]-4-methyl-3-(4-[N-[(1-methylpiperidin-4-yl)methyl]glycyl]-2,3-dihydro-1H-1,2,3-triazol-1-yl)benzamide | |
0.005 | - |
above, IC50 with THP-1 cells | Homo sapiens | ethyl 1-[5-([5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl]carbamoyl)-2-methylphenyl]-2,3-dihydro-1H-1,2,3-triazole-4-carboxylate |