Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | ectonucleotide pyrophosphatase/phosphodiesterase 2 | No references |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Onchocerca volvulus | 0.0087 | 0.0148 | 0.0148 | |
Mycobacterium tuberculosis | Hypothetical protein | 0.1523 | 0.469 | 0.1006 |
Plasmodium falciparum | bifunctional dihydrofolate reductase-thymidylate synthase | 0.3202 | 1 | 0.5 |
Schistosoma mansoni | hypothetical protein | 0.0087 | 0.0148 | 0.0148 |
Mycobacterium leprae | PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) | 0.3202 | 1 | 1 |
Brugia malayi | hypothetical protein | 0.1523 | 0.469 | 0.469 |
Echinococcus multilocularis | thymidylate synthase | 0.3202 | 1 | 1 |
Mycobacterium tuberculosis | Probable thymidylate synthase ThyA (ts) (TSASE) | 0.3202 | 1 | 1 |
Loa Loa (eye worm) | thymidylate synthase | 0.3202 | 1 | 1 |
Trichomonas vaginalis | conserved hypothetical protein | 0.1523 | 0.469 | 0.5 |
Brugia malayi | Thrombospondin type 1 domain containing protein | 0.0087 | 0.0148 | 0.0148 |
Mycobacterium ulcerans | thymidylate synthase | 0.3202 | 1 | 1 |
Echinococcus granulosus | thymidylate synthase | 0.3202 | 1 | 1 |
Schistosoma mansoni | bifunctional dihydrofolate reductase-thymidylate synthase | 0.3202 | 1 | 1 |
Toxoplasma gondii | bifunctional dihydrofolate reductase-thymidylate synthase | 0.3202 | 1 | 0.5 |
Trypanosoma cruzi | dihydrofolate reductase-thymidylate synthase | 0.3202 | 1 | 1 |
Plasmodium vivax | bifunctional dihydrofolate reductase-thymidylate synthase, putative | 0.3202 | 1 | 0.5 |
Trypanosoma brucei | dihydrofolate reductase-thymidylate synthase | 0.3202 | 1 | 0.5 |
Onchocerca volvulus | 0.3202 | 1 | 1 | |
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 |
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 |
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.