Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | isocitrate dehydrogenase 1 (NADP+), soluble | Starlite/ChEMBL | No references |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Echinococcus granulosus | serine threonine protein kinase nrc | 0.0023 | 0.0114 | 0.0114 |
Trichomonas vaginalis | AGC family protein kinase | 0.0037 | 0.0257 | 0.0547 |
Onchocerca volvulus | 0.0984 | 1 | 0.5 | |
Echinococcus granulosus | serine/threonine protein kinase | 0.0025 | 0.0138 | 0.0138 |
Echinococcus multilocularis | isocitrate dehydrogenase 2 (NADP+) | 0.0019 | 0.0075 | 0.0075 |
Echinococcus granulosus | thymidylate synthase | 0.0984 | 1 | 1 |
Entamoeba histolytica | protein kinase, putative | 0.0037 | 0.0257 | 1 |
Trichomonas vaginalis | AGC family protein kinase | 0.0037 | 0.0257 | 0.0547 |
Brugia malayi | isocitrate dehydrogenase | 0.0019 | 0.0075 | 0.0075 |
Trichomonas vaginalis | AGC family protein kinase | 0.0037 | 0.0257 | 0.0547 |
Trypanosoma brucei | rac serine-threonine kinase, putative | 0.0037 | 0.0257 | 0.0184 |
Echinococcus granulosus | nervana 2 | 0.0023 | 0.0112 | 0.0112 |
Echinococcus granulosus | Glutaredoxin protein 5 | 0.0023 | 0.0112 | 0.0112 |
Trichomonas vaginalis | AGC family protein kinase | 0.0037 | 0.0257 | 0.0547 |
Entamoeba histolytica | protein kinase, putative | 0.0035 | 0.0233 | 0.909 |
Loa Loa (eye worm) | AGC/AKT protein kinase | 0.0037 | 0.0257 | 0.0257 |
Trichomonas vaginalis | AGC family protein kinase | 0.0037 | 0.0257 | 0.0547 |
Trypanosoma cruzi | dihydrofolate reductase-thymidylate synthase, putative | 0.0468 | 0.4693 | 0.4654 |
Entamoeba histolytica | PH domain containing protein kinase, putative | 0.0025 | 0.0138 | 0.5363 |
Trypanosoma brucei | dihydrofolate reductase-thymidylate synthase | 0.0984 | 1 | 1 |
Echinococcus multilocularis | NADP dependent isocitrate dehydrogenase | 0.0019 | 0.0075 | 0.0075 |
Schistosoma mansoni | serine/threonine-protein kinase | 0.0025 | 0.0138 | 0.0138 |
Plasmodium falciparum | RAC-beta serine/threonine protein kinase | 0.0023 | 0.0114 | 0.004 |
Trichomonas vaginalis | conserved hypothetical protein | 0.0468 | 0.4693 | 1 |
Echinococcus multilocularis | thymidylate synthase | 0.0984 | 1 | 1 |
Trichomonas vaginalis | AGC family protein kinase | 0.0037 | 0.0257 | 0.0547 |
Schistosoma mansoni | serine/threonine-protein kinase | 0.0025 | 0.0138 | 0.0138 |
Trypanosoma cruzi | rac serine-threonine kinase, putative | 0.0023 | 0.0114 | 0.004 |
Echinococcus multilocularis | nervana 2 | 0.0023 | 0.0112 | 0.0112 |
Plasmodium falciparum | bifunctional dihydrofolate reductase-thymidylate synthase | 0.0984 | 1 | 1 |
Mycobacterium leprae | PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) | 0.0984 | 1 | 0.5 |
Loa Loa (eye worm) | thymidylate synthase | 0.0984 | 1 | 1 |
Giardia lamblia | Kinase, AGC PKA | 0.0023 | 0.0114 | 0.5 |
Echinococcus multilocularis | rac serine:threonine kinase | 0.0025 | 0.0138 | 0.0138 |
Echinococcus multilocularis | isocitrate dehydrogenase | 0.0019 | 0.0075 | 0.0075 |
Entamoeba histolytica | protein kinase 2, putative | 0.0023 | 0.0114 | 0.4453 |
Loa Loa (eye worm) | AGC/RSK/P70 protein kinase | 0.0035 | 0.0233 | 0.0233 |
Trypanosoma cruzi | dihydrofolate reductase-thymidylate synthase | 0.0984 | 1 | 1 |
Brugia malayi | Protein kinase domain containing protein | 0.0037 | 0.0257 | 0.0257 |
Schistosoma mansoni | NADP-specific isocitrate dehydrogenase | 0.0019 | 0.0075 | 0.0075 |
Plasmodium vivax | bifunctional dihydrofolate reductase-thymidylate synthase, putative | 0.0984 | 1 | 1 |
Trypanosoma cruzi | Protein kinase B | 0.0025 | 0.0138 | 0.0064 |
Echinococcus multilocularis | nervana 2 | 0.0023 | 0.0112 | 0.0112 |
Echinococcus multilocularis | NADP dependent isocitrate dehydrogenase | 0.0019 | 0.0075 | 0.0075 |
Echinococcus granulosus | nervana 2 | 0.0023 | 0.0112 | 0.0112 |
Echinococcus multilocularis | sodium:potassium dependent atpase beta subunit | 0.0023 | 0.0112 | 0.0112 |
Entamoeba histolytica | protein kinase, putative | 0.0037 | 0.0257 | 1 |
Leishmania major | dihydrofolate reductase-thymidylate synthase | 0.0984 | 1 | 1 |
Echinococcus granulosus | sodium:potassium dependent atpase beta subunit | 0.0023 | 0.0112 | 0.0112 |
Echinococcus granulosus | calcium:calmodulin dependent protein kinase | 0.0023 | 0.0114 | 0.0114 |
Brugia malayi | Isocitrate dehydrogenase | 0.0019 | 0.0075 | 0.0075 |
Echinococcus granulosus | NADP dependent isocitrate dehydrogenase | 0.0019 | 0.0075 | 0.0075 |
Echinococcus multilocularis | Glutaredoxin protein 5 | 0.0023 | 0.0112 | 0.0112 |
Entamoeba histolytica | PH domain containing protein kinase, putative | 0.0025 | 0.0138 | 0.5363 |
Mycobacterium tuberculosis | Probable thymidylate synthase ThyA (ts) (TSASE) | 0.0984 | 1 | 1 |
Trichomonas vaginalis | AGC family protein kinase | 0.0014 | 0.0023 | 0.005 |
Brugia malayi | p70 ribosomal S6 kinase beta | 0.0035 | 0.0233 | 0.0233 |
Echinococcus multilocularis | serine threonine protein kinase nrc serine threonine protein kinase gad | 0.0023 | 0.0114 | 0.0114 |
Mycobacterium tuberculosis | Hypothetical protein | 0.0468 | 0.4693 | 0.4654 |
Loa Loa (eye worm) | isocitrate dehydrogenase | 0.0019 | 0.0075 | 0.0075 |
Plasmodium vivax | rac-beta serine/threonine protein kinase, putative | 0.0023 | 0.0114 | 0.004 |
Toxoplasma gondii | bifunctional dihydrofolate reductase-thymidylate synthase | 0.0984 | 1 | 1 |
Mycobacterium ulcerans | thymidylate synthase | 0.0984 | 1 | 0.5 |
Echinococcus multilocularis | NADP dependent isocitrate dehydrogenase | 0.0019 | 0.0075 | 0.0075 |
Schistosoma mansoni | bifunctional dihydrofolate reductase-thymidylate synthase | 0.0984 | 1 | 1 |
Brugia malayi | hypothetical protein | 0.0468 | 0.4693 | 0.4693 |
Trichomonas vaginalis | AGC family protein kinase | 0.0037 | 0.0257 | 0.0547 |
Toxoplasma gondii | AGC kinase | 0.0035 | 0.0233 | 0.016 |
Trypanosoma cruzi | rac serine-threonine kinase, putative | 0.0025 | 0.0138 | 0.0064 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
IC50 (binding) | = 571 nM | BindingDB_Patents: Fluorescence Biochemical Assay. The IDH1 (R132H) mutant catalyzes the reduced form of NADP+ (NADPH) and a-ketoglutarate (a-KG) to form nicotinamide adenine dinucleotide phosphate (NADP+) and R (-)-2-hydroxyglutarate (2HG). The reaction can be monitored kinetically by following the oxidation of NADPH to NADP+ which is measured using fluorescence, excitation at 355 nm and emission at 530 nm. Reactions were monitored using the Perkin-Elmer Envision, Model 2101. More specifically, the biochemical reactions were performed at room temperature in 384-well Greiner flat-bottom plates (Cat. No. 781076) using a final reaction volume of 20 µL and the following assay buffer conditions: 50 mM HEPES pH 7.5, 10 mM MgCl2, 1 mM DTT, 0.02% BSA, 0.02% Tween-20, 10 µM NADPH and 100 µM a-KG. The final reaction mixture contained 2.5% DMSO and test compounds with concentrations ranging 0.0000008-25 µM. The IDH1 (R132H) enzyme was used at a final concentration of 10 nM. | ChEMBL. | No reference |
IC50 (binding) | = 571 nM | BindingDB_Patents: Fluorescence Biochemical Assay. The IDH1 (R132H) mutant catalyzes the reduced form of NADP+ (NADPH) and a-ketoglutarate (a-KG) to form nicotinamide adenine dinucleotide phosphate (NADP+) and R (-)-2-hydroxyglutarate (2HG). The reaction can be monitored kinetically by following the oxidation of NADPH to NADP+ which is measured using fluorescence, excitation at 355 nm and emission at 530 nm. Reactions were monitored using the Perkin-Elmer Envision, Model 2101. More specifically, the biochemical reactions were performed at room temperature in 384-well Greiner flat-bottom plates (Cat. No. 781076) using a final reaction volume of 20 µL and the following assay buffer conditions: 50 mM HEPES pH 7.5, 10 mM MgCl2, 1 mM DTT, 0.02% BSA, 0.02% Tween-20, 10 µM NADPH and 100 µM a-KG. The final reaction mixture contained 2.5% DMSO and test compounds with concentrations ranging 0.0000008-25 µM. The IDH1 (R132H) enzyme was used at a final concentration of 10 nM. | ChEMBL. | No reference |
IC50 (binding) | = 655 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 |
IC50 (binding) | = 655 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.