Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | isocitrate dehydrogenase 1 (NADP+), soluble | Starlite/ChEMBL | No references |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Loa Loa (eye worm) | thymidylate synthase | 0.0471 | 1 | 1 |
Mycobacterium tuberculosis | Hypothetical protein | 0.0224 | 0.4536 | 0.4536 |
Brugia malayi | hypothetical protein | 0.0224 | 0.4536 | 0.4536 |
Plasmodium vivax | bifunctional dihydrofolate reductase-thymidylate synthase, putative | 0.0471 | 1 | 1 |
Schistosoma mansoni | bifunctional dihydrofolate reductase-thymidylate synthase | 0.0471 | 1 | 1 |
Trypanosoma cruzi | dihydrofolate reductase-thymidylate synthase, putative | 0.0224 | 0.4536 | 0.4536 |
Echinococcus granulosus | thymidylate synthase | 0.0471 | 1 | 1 |
Mycobacterium ulcerans | thymidylate synthase | 0.0471 | 1 | 0.5 |
Toxoplasma gondii | bifunctional dihydrofolate reductase-thymidylate synthase | 0.0471 | 1 | 1 |
Plasmodium falciparum | bifunctional dihydrofolate reductase-thymidylate synthase | 0.0471 | 1 | 1 |
Mycobacterium tuberculosis | Probable thymidylate synthase ThyA (ts) (TSASE) | 0.0471 | 1 | 1 |
Trichomonas vaginalis | conserved hypothetical protein | 0.0224 | 0.4536 | 0.5 |
Trypanosoma cruzi | dihydrofolate reductase-thymidylate synthase | 0.0471 | 1 | 1 |
Mycobacterium leprae | PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) | 0.0471 | 1 | 0.5 |
Onchocerca volvulus | 0.0471 | 1 | 0.5 | |
Trypanosoma brucei | dihydrofolate reductase-thymidylate synthase | 0.0471 | 1 | 1 |
Echinococcus multilocularis | thymidylate synthase | 0.0471 | 1 | 1 |
Leishmania major | dihydrofolate reductase-thymidylate synthase | 0.0471 | 1 | 1 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
IC50 (binding) | = 9797 nM | BindingDB_Patents: LC-MS Biochemical Assay. Mutant IDH1 R132H catalytic activity was monitored using the quantitative liquid chromatography/mass spectrometry (LC-MS) detection of 2-HG, a product of the NADPH-dependent alpha-KG reduction reaction.More specifically, the biochemical reactions were performed at room temperature in 384-well Greiner flat-bottom plates (Costar, Cat. No. 781201) using a final reaction volume of 30 uL and the following assay buffer conditions: 50 mM HEPES pH 7.4, 10 mM MgCl2, 50 mM KCl, 1 mM DTT, 0.02% BSA, 5 uM NADPH and 100 uM alpha-KG.The final reaction mixture contained 3.3% DMSO and inhibitors with concentrations ranging 0.02-50 uM. The IDH1 enzyme was used at a final concentration of 0.25 nM. Following 45 minutes incubation, the reaction mixtures were quenched by the addition of 10 uL of 16% formic acid containing 800 nM of 5-carbon labeled 13C-2-HG). The protein was then precipitated by the addition of 2.5 volumes of acetonitrile followed by centrifugation (3000xg, 20 minutes). | 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.