Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Rattus norvegicus | Adenosine A2 receptor | Starlite/ChEMBL | References |
Rattus norvegicus | Adenosine A1 receptor | Starlite/ChEMBL | References |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Echinococcus multilocularis | mitogen activated protein kinase 11 | 0.041 | 0.7099 | 1 |
Mycobacterium tuberculosis | Possible electron transfer protein FdxB | 0.0045 | 0 | 0.5 |
Mycobacterium tuberculosis | Probable conserved membrane protein | 0.0045 | 0 | 0.5 |
Plasmodium falciparum | stearoyl-CoA desaturase | 0.0514 | 0.9119 | 0.5 |
Mycobacterium ulcerans | hypothetical protein | 0.0045 | 0 | 0.5 |
Echinococcus granulosus | mitogen activated protein kinase 11 | 0.041 | 0.7099 | 1 |
Mycobacterium ulcerans | linoleoyl-CoA desaturase, DesA3 | 0.0045 | 0 | 0.5 |
Trypanosoma cruzi | mitogen-activated protein kinase 3, putative | 0.041 | 0.7099 | 0.7099 |
Mycobacterium ulcerans | transmembrane alkane 1-monooxygenase AlkB | 0.0045 | 0 | 0.5 |
Mycobacterium ulcerans | linoleoyl-CoA desaturase, DesA3 | 0.0045 | 0 | 0.5 |
Leishmania major | mitogen-activated protein kinase 3, putative,map kinase 3, putative | 0.041 | 0.7099 | 0.7099 |
Trypanosoma brucei | mitogen-activated protein kinase 3, putative | 0.041 | 0.7099 | 0.7099 |
Schistosoma mansoni | fatty acid desaturase | 0.0045 | 0 | 0.5 |
Trypanosoma cruzi | fatty acid desaturase, putative | 0.0514 | 0.9119 | 0.9119 |
Loa Loa (eye worm) | CMGC/MAPK/P38 protein kinase | 0.041 | 0.7099 | 0.7784 |
Trypanosoma cruzi | mitogen-activated protein kinase 3, putative | 0.041 | 0.7099 | 0.7099 |
Trypanosoma cruzi | fatty acid desaturase, putative | 0.0514 | 0.9119 | 0.9119 |
Trypanosoma cruzi | fatty acid desaturase, putative | 0.0559 | 1 | 1 |
Echinococcus granulosus | mitogen activated protein kinase 14 | 0.041 | 0.7099 | 1 |
Brugia malayi | P38 map kinase family protein 2 | 0.041 | 0.7099 | 0.7784 |
Toxoplasma gondii | sphingolipid delta 4 desaturase/c-4 hydroxylase protein des2 family protein | 0.0045 | 0 | 0.5 |
Trypanosoma brucei | fatty acid desaturase, putative | 0.0559 | 1 | 1 |
Mycobacterium ulcerans | electron transfer protein FdxB | 0.0045 | 0 | 0.5 |
Mycobacterium tuberculosis | Probable transmembrane alkane 1-monooxygenase AlkB (alkane 1-hydroxylase) (lauric acid omega-hydroxylase) (omega-hydroxylase) (f | 0.0045 | 0 | 0.5 |
Mycobacterium ulcerans | hypothetical protein | 0.0045 | 0 | 0.5 |
Onchocerca volvulus | 0.0559 | 1 | 1 | |
Leishmania major | fatty-acid desaturase, putative | 0.0559 | 1 | 1 |
Loa Loa (eye worm) | acyl-CoA desaturase | 0.0514 | 0.9119 | 1 |
Plasmodium vivax | stearoyl-CoA desaturase (acyl-CoA desaturase, faty acid desaturase), putative | 0.0514 | 0.9119 | 0.5 |
Onchocerca volvulus | 0.0559 | 1 | 1 | |
Mycobacterium ulcerans | linoleoyl-CoA desaturase, DesA3_2 | 0.0045 | 0 | 0.5 |
Echinococcus multilocularis | mitogen activated protein kinase 14 | 0.041 | 0.7099 | 1 |
Echinococcus multilocularis | mitogen activated protein kinase 11 | 0.041 | 0.7099 | 1 |
Brugia malayi | acyl-CoA desaturase | 0.0514 | 0.9119 | 1 |
Echinococcus multilocularis | mitogen activated protein kinase 14 | 0.041 | 0.7099 | 1 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
Displacement (binding) | = 0 % | Percent displacement from adenosine A2 receptor at 10e-7 M in rat striatal membrane in vitro. | ChEMBL. | 7996542 |
Displacement (binding) | = 13 % | Percent displacement from adenosine A1 receptor at 10e-7 M in rat brain membrane in vitro. | ChEMBL. | 7996542 |
Displacement (binding) | = 36 % | Percent displacement from adenosine A2 receptor at 10e-5 M in rat striatal membrane in vitro. | ChEMBL. | 7996542 |
Displacement (binding) | = 90 % | Percent displacement from adenosine A1 receptor at 10e-5 M in rat brain membrane in vitro. | ChEMBL. | 7996542 |
ED50 (functional) | mg kg-1 | Effective dose of compound for phenylbenzoquinone-Induced writhing in mice after peroral administration expressed as analgesic activity; Inactive | ChEMBL. | 7996542 |
Ki (binding) | = 890 nM | Binding affinity for adenosine A1 receptor in vitro using rat brain membranes. | ChEMBL. | 7996542 |
Ki (binding) | > 10000 nM | Binding affinity for adenosine A2 receptor in vitro using rat striatal membrane. | ChEMBL. | 7996542 |
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.