Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | nuclear factor, erythroid 2-like 2 | Starlite/ChEMBL | No references |
Mus musculus | RAR-related orphan receptor gamma | Starlite/ChEMBL | No references |
Influenza A virus | Nonstructural protein 1 | Starlite/ChEMBL | No references |
Homo sapiens | hydroxyprostaglandin dehydrogenase 15-(NAD) | Starlite/ChEMBL | No references |
Homo sapiens | isocitrate dehydrogenase 1 (NADP+), soluble | Starlite/ChEMBL | No references |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Plasmodium falciparum | steroid dehydrogenase, putative | hydroxyprostaglandin dehydrogenase 15-(NAD) | 266 aa | 216 aa | 22.2 % |
Mycobacterium tuberculosis | Hypothetical protein | Nonstructural protein 1 | 230 aa | 202 aa | 23.8 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Trypanosoma brucei | isocitrate dehydrogenase [NADP], mitochondrial precursor, putative | 0.0019 | 0.22 | 0.5 |
Entamoeba histolytica | hypothetical protein | 0.0043 | 1 | 0.5 |
Schistosoma mansoni | hypothetical protein | 0.0043 | 1 | 1 |
Entamoeba histolytica | hypothetical protein | 0.0043 | 1 | 0.5 |
Entamoeba histolytica | hypothetical protein | 0.0043 | 1 | 0.5 |
Echinococcus multilocularis | Basic leucine zipper (bZIP) transcription | 0.0043 | 1 | 1 |
Entamoeba histolytica | hypothetical protein | 0.0043 | 1 | 0.5 |
Loa Loa (eye worm) | isocitrate dehydrogenase | 0.0019 | 0.22 | 1 |
Echinococcus multilocularis | NADP dependent isocitrate dehydrogenase | 0.0019 | 0.22 | 0.22 |
Toxoplasma gondii | isocitrate dehydrogenase | 0.0019 | 0.22 | 0.5 |
Echinococcus multilocularis | isocitrate dehydrogenase 2 (NADP+) | 0.0019 | 0.22 | 0.22 |
Plasmodium falciparum | isocitrate dehydrogenase [NADP], mitochondrial | 0.0019 | 0.22 | 0.5 |
Onchocerca volvulus | Bile acid receptor homolog | 0.0012 | 0 | 0.5 |
Echinococcus multilocularis | NADP dependent isocitrate dehydrogenase | 0.0019 | 0.22 | 0.22 |
Echinococcus multilocularis | NADP dependent isocitrate dehydrogenase | 0.0019 | 0.22 | 0.22 |
Schistosoma mansoni | transcription factor LCR-F1 | 0.0043 | 1 | 1 |
Plasmodium vivax | isocitrate dehydrogenase [NADP], mitochondrial, putative | 0.0019 | 0.22 | 0.5 |
Brugia malayi | Isocitrate dehydrogenase | 0.0019 | 0.22 | 0.22 |
Schistosoma mansoni | NADP-specific isocitrate dehydrogenase | 0.0019 | 0.22 | 0.22 |
Onchocerca volvulus | 0.0012 | 0 | 0.5 | |
Trypanosoma brucei | isocitrate dehydrogenase, putative | 0.0019 | 0.22 | 0.5 |
Trypanosoma cruzi | isocitrate dehydrogenase, putative | 0.0019 | 0.22 | 0.5 |
Mycobacterium tuberculosis | Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) | 0.0019 | 0.22 | 0.5 |
Leishmania major | isocitrate dehydrogenase [NADP], mitochondrial precursor, putative | 0.0019 | 0.22 | 0.5 |
Toxoplasma gondii | isocitrate dehydrogenase | 0.0019 | 0.22 | 0.5 |
Echinococcus granulosus | NADP dependent isocitrate dehydrogenase | 0.0019 | 0.22 | 0.22 |
Echinococcus granulosus | Basic leucine zipper bZIP transcription | 0.0043 | 1 | 1 |
Onchocerca volvulus | Protein ultraspiracle homolog | 0.0012 | 0 | 0.5 |
Onchocerca volvulus | Steroid hormone receptor family member cnr14 homolog | 0.0012 | 0 | 0.5 |
Brugia malayi | isocitrate dehydrogenase | 0.0019 | 0.22 | 0.22 |
Echinococcus multilocularis | isocitrate dehydrogenase | 0.0019 | 0.22 | 0.22 |
Trypanosoma cruzi | isocitrate dehydrogenase [NADP], mitochondrial precursor, putative | 0.0019 | 0.22 | 0.5 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
Potency (functional) | 0.7308 uM | PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] | ChEMBL. | No reference |
Potency (functional) | = 4.4668 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | = 11.2202 um | PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 12.5893 uM | PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | = 14.1254 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] | ChEMBL. | No reference |
Potency (functional) | 20.5962 uM | PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | = 35.4813 um | PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 39.8107 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] | 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.