Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | mitogen-activated protein kinase 1 | Starlite/ChEMBL | No references |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Trypanosoma brucei | mitogen-activated protein kinase 5 | mitogen-activated protein kinase 1 | 360 aa | 361 aa | 33.2 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Trypanosoma cruzi | cdc2-related kinase 3 | 0.0053 | 0.3038 | 0.1723 |
Loa Loa (eye worm) | hypothetical protein | 0.0039 | 0.1589 | 0.1589 |
Trypanosoma cruzi | mitogen-activated protein kinase 11, putative | 0.0124 | 1 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0052 | 0.2873 | 0.2873 |
Trichomonas vaginalis | cyclin B, putative | 0.0039 | 0.1589 | 0.1254 |
Entamoeba histolytica | cell division protein kinase 2, putative | 0.0053 | 0.3038 | 1 |
Toxoplasma gondii | CMGC kinase, MAPK family (ERK) MAPK-1 | 0.0124 | 1 | 1 |
Trypanosoma cruzi | cdc2-related kinase 1 | 0.0053 | 0.3038 | 0.1723 |
Plasmodium vivax | protein kinase Crk2 | 0.0053 | 0.3038 | 0.5 |
Trichomonas vaginalis | CMGC family protein kinase | 0.0124 | 1 | 1 |
Loa Loa (eye worm) | CMGC/CDK/CDC2 protein kinase | 0.0053 | 0.3038 | 0.3038 |
Trypanosoma cruzi | mitogen activated protein kinase 4, putative | 0.0124 | 1 | 1 |
Leishmania major | cell division related protein kinase 2,cdc2-related kinase | 0.0053 | 0.3038 | 0.1723 |
Trichomonas vaginalis | cyclins, putative | 0.0039 | 0.1589 | 0.1254 |
Trypanosoma brucei | cdc2-related kinase 1 | 0.0053 | 0.3038 | 0.1723 |
Plasmodium falciparum | protein kinase 5 | 0.0053 | 0.3038 | 0.5 |
Echinococcus multilocularis | mitogen activated protein kinase | 0.0124 | 1 | 1 |
Trypanosoma cruzi | mitogen activated protein kinase 2, putative | 0.0124 | 1 | 1 |
Echinococcus multilocularis | mitogen activated protein kinase 3 | 0.0124 | 1 | 1 |
Trichomonas vaginalis | CMGC family protein kinase | 0.0053 | 0.3038 | 0.2761 |
Leishmania major | mitogen activated protein kinase, putative,map kinase, putative | 0.0124 | 1 | 1 |
Trichomonas vaginalis | cyclin B, putative | 0.0039 | 0.1589 | 0.1254 |
Trichomonas vaginalis | cyclin A, putative | 0.0039 | 0.1589 | 0.1254 |
Leishmania major | cell division protein kinase 2,cdc2-related kinase | 0.0053 | 0.3038 | 0.1723 |
Echinococcus multilocularis | cyclin dependent kinase 1 | 0.0053 | 0.3038 | 0.1723 |
Loa Loa (eye worm) | CMGC/CDK/CDC2 protein kinase | 0.0053 | 0.3038 | 0.3038 |
Trichomonas vaginalis | cyclins, putative | 0.0039 | 0.1589 | 0.1254 |
Schistosoma mansoni | serine/threonine protein kinase | 0.0053 | 0.3038 | 0.1723 |
Trypanosoma brucei | mitogen activated protein kinase 4, putative | 0.0124 | 1 | 1 |
Trichomonas vaginalis | cyclin B, putative | 0.0039 | 0.1589 | 0.1254 |
Brugia malayi | cell division control protein 2 homolog | 0.0053 | 0.3038 | 0.1723 |
Trypanosoma brucei | cdc2-related kinase 3 | 0.0053 | 0.3038 | 0.1723 |
Giardia lamblia | Kinase, CMGC CDK | 0.0053 | 0.3038 | 0.1723 |
Echinococcus granulosus | cyclin dependent kinase | 0.0053 | 0.3038 | 0.1723 |
Giardia lamblia | Kinase, CMGC CDK | 0.0053 | 0.3038 | 0.1723 |
Echinococcus granulosus | cyclin dependent kinase 1 | 0.0053 | 0.3038 | 0.1723 |
Schistosoma mansoni | serine/threonine protein kinase | 0.0053 | 0.3038 | 0.1723 |
Echinococcus multilocularis | cyclin dependent kinase 5 | 0.0053 | 0.3038 | 0.1723 |
Giardia lamblia | Kinase, CMGC MAPK | 0.0124 | 1 | 1 |
Entamoeba histolytica | cell division protein kinase 2, putative | 0.0053 | 0.3038 | 1 |
Trichomonas vaginalis | CMGC family protein kinase | 0.0124 | 1 | 1 |
Schistosoma mansoni | serine/threonine protein kinase | 0.0124 | 1 | 1 |
Echinococcus granulosus | mitogen activated protein kinase | 0.0124 | 1 | 1 |
Loa Loa (eye worm) | CMGC/MAPK/ERK1 protein kinase | 0.0124 | 1 | 1 |
Trichomonas vaginalis | CMGC family protein kinase | 0.0124 | 1 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0039 | 0.1589 | 0.1589 |
Trypanosoma brucei | protein kinase, putative | 0.0124 | 1 | 1 |
Brugia malayi | Protein kinase domain containing protein | 0.0053 | 0.3038 | 0.1723 |
Echinococcus granulosus | cyclin dependent kinase 5 | 0.0053 | 0.3038 | 0.1723 |
Echinococcus granulosus | mitogen activated protein kinase 3 | 0.0124 | 1 | 1 |
Trichomonas vaginalis | cyclins, putative | 0.0039 | 0.1589 | 0.1254 |
Trichomonas vaginalis | cyclin B, putative | 0.0039 | 0.1589 | 0.1254 |
Echinococcus multilocularis | cyclin dependent kinase | 0.0053 | 0.3038 | 0.1723 |
Leishmania major | mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 | 0.0124 | 1 | 1 |
Echinococcus granulosus | 5'partial|cyclin dependent kinase 1 | 0.0053 | 0.3038 | 0.1723 |
Trypanosoma cruzi | cdc2-related kinase 1 | 0.0053 | 0.3038 | 0.1723 |
Trichomonas vaginalis | CMGC family protein kinase | 0.0053 | 0.3038 | 0.2761 |
Trypanosoma cruzi | cdc2-related kinase 3 | 0.0053 | 0.3038 | 0.1723 |
Onchocerca volvulus | 0.0039 | 0.1589 | 0.5 | |
Echinococcus multilocularis | cyclin dependent kinase 1 | 0.0053 | 0.3038 | 0.1723 |
Trypanosoma cruzi | mitogen-activated protein kinase 11, putative | 0.0124 | 1 | 1 |
Trichomonas vaginalis | CMGC family protein kinase | 0.0124 | 1 | 1 |
Trichomonas vaginalis | cyclins, putative | 0.0039 | 0.1589 | 0.1254 |
Loa Loa (eye worm) | CMGC/CDK/CDK5 protein kinase | 0.0053 | 0.3038 | 0.3038 |
Trichomonas vaginalis | CMGC family protein kinase | 0.0053 | 0.3038 | 0.2761 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
IC50 (binding) | = 3.3 nM | BindingDB_Patents: Enzymatic Assay. Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion protein in E. coli and corresponding to aa 8-360. The substrate used was the fluorescent Omnia peptide S/T17 (Invitrogen of Carlsbad, Calif.; Cat. KNZ1171C). Test compounds were diluted in dimethylsulfoxide (DMSO) in 3-fold serial dilutions at 100× final concentrations. In addition to compound, the assay contained 50 mM HEPES [pH 7.3], 10 mM MgCl2, 1 mM DTT, 0.005% Triton-X100, 5 nM ERK-2 enzyme, 6.25 µM S/T17 peptide substrate and 25 µM ATP (corresponding to the observed Km) for a total reaction volume of 25 µL. The assay was run at ambient temperature in a white 384-well polypropylene plate (Nunc, Inc of Naperville, Ill.; Cat. 267462) collecting data every 50 seconds for approximately 30 minutes on an Envision plate reader (PerkinElmer, Inc. of Waltham, Mass.); Excitation 340 nm/Emission 495 nm. | ChEMBL. | No reference |
IC50 (binding) | = 3.3 nM | BindingDB_Patents: Enzymatic Assay. Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion protein in E. coli and corresponding to aa 8-360. The substrate used was the fluorescent Omnia peptide S/T17 (Invitrogen of Carlsbad, Calif.; Cat. KNZ1171C). Test compounds were diluted in dimethylsulfoxide (DMSO) in 3-fold serial dilutions at 100× final concentrations. In addition to compound, the assay contained 50 mM HEPES [pH 7.3], 10 mM MgCl2, 1 mM DTT, 0.005% Triton-X100, 5 nM ERK-2 enzyme, 6.25 µM S/T17 peptide substrate and 25 µM ATP (corresponding to the observed Km) for a total reaction volume of 25 µL. The assay was run at ambient temperature in a white 384-well polypropylene plate (Nunc, Inc of Naperville, Ill.; Cat. 267462) collecting data every 50 seconds for approximately 30 minutes on an Envision plate reader (PerkinElmer, Inc. of Waltham, Mass.); Excitation 340 nm/Emission 495 nm. | ChEMBL. | No reference |
IC50 (binding) | = 3.3 nM | ERK-2 Enzymatic Assay | BINDINGDB. | No reference |
Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.