Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Human immunodeficiency virus 1 | Aberrant vpr protein | Starlite/ChEMBL | No references |
Influenza A virus | Nonstructural protein 1 | Starlite/ChEMBL | No references |
Homo sapiens | muscleblind-like splicing regulator 1 | Starlite/ChEMBL | No references |
Equus caballus | Ferritin light chain | Starlite/ChEMBL | No references |
Homo sapiens | TAR DNA binding protein | Starlite/ChEMBL | No references |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Schistosoma mansoni | apoferritin-2 | Ferritin light chain | 175 aa | 142 aa | 29.6 % |
Echinococcus granulosus | expressed protein | Ferritin light chain | 175 aa | 146 aa | 28.8 % |
Schistosoma japonicum | Ferritin, putative | Ferritin light chain | 175 aa | 144 aa | 24.3 % |
Schistosoma mansoni | apoferritin-2 | Ferritin light chain | 175 aa | 146 aa | 28.8 % |
Mycobacterium tuberculosis | Hypothetical protein | Nonstructural protein 1 | 230 aa | 202 aa | 23.8 % |
Echinococcus multilocularis | expressed protein | Ferritin light chain | 175 aa | 146 aa | 30.1 % |
Schistosoma mansoni | ferritin | Ferritin light chain | 175 aa | 171 aa | 44.4 % |
Schistosoma mansoni | ferritin | Ferritin light chain | 175 aa | 171 aa | 43.9 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.2778 | 0.2816 |
Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.2778 | 0.2816 |
Entamoeba histolytica | hypothetical protein | 0.0039 | 0.0148 | 1 |
Echinococcus multilocularis | Basic leucine zipper (bZIP) transcription | 0.0039 | 0.0148 | 0.0148 |
Loa Loa (eye worm) | MH2 domain-containing protein | 0.0116 | 0.5498 | 0.5498 |
Entamoeba histolytica | hypothetical protein | 0.0039 | 0.0148 | 1 |
Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.2778 | 0.2816 |
Echinococcus multilocularis | tar DNA binding protein | 0.0076 | 0.2778 | 0.2778 |
Schistosoma mansoni | hypothetical protein | 0.0178 | 0.9865 | 1 |
Echinococcus granulosus | tar DNA binding protein | 0.0076 | 0.2778 | 0.2778 |
Brugia malayi | MH2 domain containing protein | 0.0116 | 0.5498 | 0.5498 |
Brugia malayi | TAR-binding protein | 0.0076 | 0.2778 | 0.2778 |
Loa Loa (eye worm) | RNA binding protein | 0.0076 | 0.2778 | 0.2778 |
Loa Loa (eye worm) | transcription factor SMAD2 | 0.0116 | 0.5498 | 0.5498 |
Echinococcus multilocularis | geminin | 0.0178 | 0.9865 | 0.9865 |
Schistosoma mansoni | hypothetical protein | 0.0039 | 0.0148 | 0.015 |
Brugia malayi | hypothetical protein | 0.0039 | 0.0148 | 0.0148 |
Schistosoma mansoni | hypothetical protein | 0.0178 | 0.9865 | 1 |
Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.2778 | 0.2816 |
Brugia malayi | RNA binding protein | 0.0076 | 0.2778 | 0.2778 |
Echinococcus granulosus | Basic leucine zipper bZIP transcription | 0.0039 | 0.0148 | 0.0148 |
Entamoeba histolytica | hypothetical protein | 0.0039 | 0.0148 | 1 |
Brugia malayi | RNA recognition motif domain containing protein | 0.0076 | 0.2778 | 0.2778 |
Loa Loa (eye worm) | TAR-binding protein | 0.0076 | 0.2778 | 0.2778 |
Schistosoma mansoni | transcription factor LCR-F1 | 0.0039 | 0.0148 | 0.015 |
Echinococcus granulosus | geminin | 0.0178 | 0.9865 | 0.9865 |
Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.2778 | 0.2816 |
Entamoeba histolytica | hypothetical protein | 0.0039 | 0.0148 | 1 |
Loa Loa (eye worm) | RNA recognition domain-containing protein domain-containing protein | 0.0076 | 0.2778 | 0.2778 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
Activity (functional) | = 0 % | Analgesic activity in mouse assessed as protection against acetic acid-induced writhing at one-tenth of LD50 administered subcutaneously 30 mins before acetic acid challenge measured after 1 hr relative to control | ChEMBL. | 19527932 |
Activity (functional) | = 2.34 % | Analgesic activity in mouse assessed as protection against acetic acid-induced writhing at one-tenth of LD50 administered subcutaneously 30 mins before acetic acid challenge measured after 2 hrs relative to control | ChEMBL. | 19527932 |
Activity (functional) | = 2.81 % | Analgesic activity in mouse assessed as protection against acetic acid-induced writhing at one-tenth of LD50 administered subcutaneously 30 mins before acetic acid challenge measured after 4 hrs relative to control | ChEMBL. | 19527932 |
Activity (functional) | = 4.92 % | Analgesic activity in mouse assessed as protection against acetic acid-induced writhing at one-tenth of LD50 administered subcutaneously 30 mins before acetic acid challenge measured after 3 hrs relative to control | ChEMBL. | 19527932 |
LD50 (ADMET) | = 290 mg Kg-1 | Toxicity in sc dosed albino mouse up to 24 hrs | ChEMBL. | 19527932 |
Potency (functional) | = 3.1623 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 3.1623 uM | PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 3.6964 uM | PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] | ChEMBL. | No reference |
Potency (functional) | 8.9125 uM | PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (binding) | = 19.9526 um | PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] | ChEMBL. | No reference |
Potency (binding) | 19.9526 uM | PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | = 19.9526 um | PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | = 28.1838 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) | 28.1838 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] | ChEMBL. | No reference |
Potency (functional) | 32.6427 uM | PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | = 35.4813 um | PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | = 39.8107 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] | ChEMBL. | No reference |
Potency (functional) | 100 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] | ChEMBL. | No reference |
Species name | Source | Reference | Is orphan |
---|---|---|---|
Plasmodium falciparum | ChEMBL23 | ||
Saccharomyces cerevisiae | ChEMBL23 |
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.