Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | ectonucleotide pyrophosphatase/phosphodiesterase 2 | Starlite/ChEMBL | No references |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Echinococcus granulosus | thymidylate synthase | 0.3202 | 1 | 1 |
Toxoplasma gondii | bifunctional dihydrofolate reductase-thymidylate synthase | 0.3202 | 1 | 0.5 |
Mycobacterium ulcerans | thymidylate synthase | 0.3202 | 1 | 1 |
Mycobacterium leprae | PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) | 0.3202 | 1 | 1 |
Mycobacterium tuberculosis | Probable thymidylate synthase ThyA (ts) (TSASE) | 0.3202 | 1 | 1 |
Schistosoma mansoni | hypothetical protein | 0.0087 | 0.0148 | 0.0148 |
Onchocerca volvulus | 0.3202 | 1 | 1 | |
Onchocerca volvulus | 0.0087 | 0.0148 | 0.0148 | |
Trypanosoma brucei | dihydrofolate reductase-thymidylate synthase | 0.3202 | 1 | 0.5 |
Loa Loa (eye worm) | thymidylate synthase | 0.3202 | 1 | 1 |
Brugia malayi | Thrombospondin type 1 domain containing protein | 0.0087 | 0.0148 | 0.0148 |
Leishmania major | dihydrofolate reductase-thymidylate synthase | 0.3202 | 1 | 0.5 |
Loa Loa (eye worm) | thrombospondin type 1 domain-containing protein | 0.0087 | 0.0148 | 0.0148 |
Plasmodium vivax | bifunctional dihydrofolate reductase-thymidylate synthase, putative | 0.3202 | 1 | 0.5 |
Echinococcus multilocularis | thymidylate synthase | 0.3202 | 1 | 1 |
Plasmodium falciparum | bifunctional dihydrofolate reductase-thymidylate synthase | 0.3202 | 1 | 0.5 |
Mycobacterium tuberculosis | Hypothetical protein | 0.1523 | 0.469 | 0.1006 |
Trypanosoma cruzi | dihydrofolate reductase-thymidylate synthase | 0.3202 | 1 | 1 |
Trichomonas vaginalis | conserved hypothetical protein | 0.1523 | 0.469 | 0.5 |
Brugia malayi | hypothetical protein | 0.1523 | 0.469 | 0.469 |
Schistosoma mansoni | bifunctional dihydrofolate reductase-thymidylate synthase | 0.3202 | 1 | 1 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
IC50 (binding) | = 13 nM | BindingDB_Patents: Inhibition Assay. 10 µL of a test compound solution (10% dimethyl sulfoxide) at each concentration and 40 µL of a 5 µg/mL human ENPP2 solution (buffer A: 100 mmol/L Tris-HCl (pH 9.0), 500 mmol/L NaCl, 5 mmol/L MgCl2, 0.05% Triton X-100) were mixed, 50 µL of a 2 mmol/L 16:0-lysophosphatidylcholine (LPC) solution (buffer A) was further added to react at 37° C. for 24 hours. Subsequently, to 10 µL of the reaction solution was added 90 µL of a measurement buffer (0.5 mmol/L aminoantipyrine, 0.3 mmol/L N-ethyl-N-(2-hydroxy-3-sulfopropyl)-3-methylaniline, 1 U/mL peroxidase, 3 U/mL choline oxidase, 100 mmol/L Tris-HCl (pH 8.5), 5 mmol/L CaCl2) to react at 37° C. for 20 minutes, and spectrophotometric determination was performed at 555 nm. | 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.