Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | v-akt murine thymoma viral oncogene homolog 2 | Starlite/ChEMBL | No references |
Homo sapiens | v-akt murine thymoma viral oncogene homolog 1 | Starlite/ChEMBL | No references |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Entamoeba histolytica | protein kinase, putative | 0.009 | 0.251 | 1 |
Echinococcus granulosus | serine/threonine protein kinase | 0.0061 | 0.1282 | 0.1282 |
Echinococcus granulosus | sodium:potassium dependent atpase beta subunit | 0.0058 | 0.1152 | 0.1152 |
Schistosoma mansoni | serine/threonine-protein kinase | 0.0061 | 0.1282 | 0.1282 |
Loa Loa (eye worm) | hypothetical protein | 0.0108 | 0.323 | 0.323 |
Entamoeba histolytica | protein kinase, putative | 0.009 | 0.251 | 1 |
Brugia malayi | p70 ribosomal S6 kinase beta | 0.0088 | 0.2407 | 0.614 |
Echinococcus granulosus | nervana 2 | 0.0058 | 0.1152 | 0.1152 |
Entamoeba histolytica | protein kinase, putative | 0.0088 | 0.2407 | 0.9589 |
Echinococcus multilocularis | nervana 2 | 0.0058 | 0.1152 | 0.1152 |
Brugia malayi | hypothetical protein | 0.0124 | 0.392 | 1 |
Echinococcus granulosus | Glutaredoxin protein 5 | 0.0058 | 0.1152 | 0.1152 |
Brugia malayi | Protein kinase domain containing protein | 0.009 | 0.251 | 0.6403 |
Onchocerca volvulus | Phospholipase A2 homolog | 0.0108 | 0.323 | 0.5 |
Trichomonas vaginalis | AGC family protein kinase | 0.0033 | 0.0103 | 0.0411 |
Loa Loa (eye worm) | leukotriene A4 hydrolase | 0.027 | 1 | 1 |
Trichomonas vaginalis | AGC family protein kinase | 0.009 | 0.251 | 1 |
Trichomonas vaginalis | AGC family protein kinase | 0.009 | 0.251 | 1 |
Echinococcus multilocularis | rac serine:threonine kinase | 0.0061 | 0.1282 | 0.1282 |
Loa Loa (eye worm) | hypothetical protein | 0.0108 | 0.323 | 0.323 |
Plasmodium falciparum | RAC-beta serine/threonine protein kinase | 0.0058 | 0.1179 | 0.5 |
Entamoeba histolytica | PH domain containing protein kinase, putative | 0.0061 | 0.1282 | 0.5109 |
Trichomonas vaginalis | AGC family protein kinase | 0.009 | 0.251 | 1 |
Trypanosoma brucei | rac serine-threonine kinase, putative | 0.009 | 0.251 | 0.5 |
Toxoplasma gondii | AGC kinase | 0.0088 | 0.2407 | 0.5 |
Trypanosoma cruzi | rac serine-threonine kinase, putative | 0.0061 | 0.1282 | 1 |
Entamoeba histolytica | protein kinase 2, putative | 0.0058 | 0.1179 | 0.4697 |
Entamoeba histolytica | PH domain containing protein kinase, putative | 0.0061 | 0.1282 | 0.5109 |
Trichomonas vaginalis | AGC family protein kinase | 0.009 | 0.251 | 1 |
Schistosoma mansoni | serine/threonine-protein kinase | 0.0061 | 0.1282 | 0.1282 |
Echinococcus granulosus | nervana 2 | 0.0058 | 0.1152 | 0.1152 |
Onchocerca volvulus | Phospholipase A2 homolog | 0.0108 | 0.323 | 0.5 |
Echinococcus multilocularis | sodium:potassium dependent atpase beta subunit | 0.0058 | 0.1152 | 0.1152 |
Trichomonas vaginalis | AGC family protein kinase | 0.009 | 0.251 | 1 |
Trypanosoma cruzi | Protein kinase B | 0.0061 | 0.1282 | 1 |
Echinococcus granulosus | calcium:calmodulin dependent protein kinase | 0.0058 | 0.1179 | 0.1179 |
Trichomonas vaginalis | AGC family protein kinase | 0.009 | 0.251 | 1 |
Echinococcus multilocularis | nervana 2 | 0.0058 | 0.1152 | 0.1152 |
Trichomonas vaginalis | AGC family protein kinase | 0.009 | 0.251 | 1 |
Echinococcus granulosus | serine threonine protein kinase nrc | 0.0058 | 0.1179 | 0.1179 |
Loa Loa (eye worm) | AGC/RSK/P70 protein kinase | 0.0088 | 0.2407 | 0.2407 |
Giardia lamblia | Kinase, AGC PKA | 0.0058 | 0.1179 | 0.5 |
Echinococcus multilocularis | serine threonine protein kinase nrc serine threonine protein kinase gad | 0.0058 | 0.1179 | 0.1179 |
Brugia malayi | Phospholipase A2 family protein | 0.0108 | 0.323 | 0.824 |
Schistosoma mansoni | leukotriene A4 hydrolase (M01 family) | 0.027 | 1 | 1 |
Echinococcus multilocularis | Glutaredoxin protein 5 | 0.0058 | 0.1152 | 0.1152 |
Loa Loa (eye worm) | AGC/AKT protein kinase | 0.009 | 0.251 | 0.251 |
Echinococcus multilocularis | leukotriene A 4 hydrolase | 0.027 | 1 | 1 |
Plasmodium vivax | rac-beta serine/threonine protein kinase, putative | 0.0058 | 0.1179 | 0.5 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
IC50 (binding) | = 38 nM | BindingDB_Patents: TR-FRET Assay. For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 ul of a solution of Akt2 in assay buffer [50 mM TRIS/HCl pH 7.5, 5 mM MgCl2, 1 mM dithiothreitol, 0.02% (v/v) Triton X-100 (Sigma)] were added and the mixture was incubated for 15 min at 22 C. to allow prebinding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 ul of a solution of adenosine-tri-phosphate (ATP, 16.7 uM=>final conc. in the 5 ul assay volume is 10 uM) and substrate (1.67 uM=>final conc. in the 5 ul assay volume is 1 uM) in assay buffer and the resulting mixture was incubated for a reaction time of 60 min at 22 C. The concentration of Akt2 in the assay was adjusted depending of the activity of the enzyme lot. | ChEMBL. | No reference |
IC50 (binding) | = 38 nM | BindingDB_Patents: TR-FRET Assay. For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 ul of a solution of Akt2 in assay buffer [50 mM TRIS/HCl pH 7.5, 5 mM MgCl2, 1 mM dithiothreitol, 0.02% (v/v) Triton X-100 (Sigma)] were added and the mixture was incubated for 15 min at 22 C. to allow prebinding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 ul of a solution of adenosine-tri-phosphate (ATP, 16.7 uM=>final conc. in the 5 ul assay volume is 10 uM) and substrate (1.67 uM=>final conc. in the 5 ul assay volume is 1 uM) in assay buffer and the resulting mixture was incubated for a reaction time of 60 min at 22 C. The concentration of Akt2 in the assay was adjusted depending of the activity of the enzyme lot. | ChEMBL. | No reference |
IC50 (binding) | = 221 nM | BindingDB_Patents: TR-FRET Assay. For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 ul of a solution of Akt1 in assay buffer [50 mM TRIS/HCl pH 7.5, 5 mM MgCl2, 1 mM dithiothreitol, 0.02% (v/v) Triton X-100 (Sigma)] were added and the mixture was incubated for 15 min at 22 C. to allow prebinding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 ul of a solution of adenosine-tri-phosphate (ATP, 16.7 uM=>final conc. in the 5 ul assay volume is 10 uM) and substrate (1.67 uM=>final conc. in the 5 ul assay volume is 1 uM) in assay buffer and the resulting mixture was incubated for a reaction time of 60 min at 22 C. The concentration of Akt1 in the assay was adjusted depending of the activity of the enzyme lot. | ChEMBL. | No reference |
IC50 (binding) | = 221 nM | BindingDB_Patents: TR-FRET Assay. For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 ul of a solution of Akt1 in assay buffer [50 mM TRIS/HCl pH 7.5, 5 mM MgCl2, 1 mM dithiothreitol, 0.02% (v/v) Triton X-100 (Sigma)] were added and the mixture was incubated for 15 min at 22 C. to allow prebinding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 ul of a solution of adenosine-tri-phosphate (ATP, 16.7 uM=>final conc. in the 5 ul assay volume is 10 uM) and substrate (1.67 uM=>final conc. in the 5 ul assay volume is 1 uM) in assay buffer and the resulting mixture was incubated for a reaction time of 60 min at 22 C. The concentration of Akt1 in the assay was adjusted depending of the activity of the enzyme lot. | ChEMBL. | 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.