Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Escherichia coli O157:H7 | Shiga toxin | Starlite/ChEMBL | No references |
Homo sapiens | polymerase (DNA directed), eta | Starlite/ChEMBL | No references |
Homo sapiens | lamin A/C | Starlite/ChEMBL | No references |
Influenza A virus | Nonstructural protein 1 | Starlite/ChEMBL | No references |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Trichomonas vaginalis | coatomer beta subunit, putative | Shiga toxin | 89 aa | 87 aa | 27.6 % |
Schistosoma mansoni | katanin P80 subunit | Shiga toxin | 89 aa | 72 aa | 23.6 % |
Echinococcus granulosus | imidazolonepropionase | Shiga toxin | 89 aa | 94 aa | 25.5 % |
Schistosoma japonicum | Katanin p80 WD40-containing subunit B1, putative | Shiga toxin | 89 aa | 72 aa | 23.6 % |
Echinococcus multilocularis | imidazolonepropionase | Shiga toxin | 89 aa | 94 aa | 26.6 % |
Mycobacterium tuberculosis | Hypothetical protein | Nonstructural protein 1 | 230 aa | 202 aa | 23.8 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Schistosoma mansoni | DNA polymerase eta | 0.0054 | 1 | 1 |
Echinococcus granulosus | lamin dm0 | 0.0033 | 0.4129 | 0.3011 |
Leishmania major | DNA polymerase eta, putative | 0.0054 | 1 | 1 |
Trypanosoma cruzi | DNA polymerase eta, putative | 0.0038 | 0.5611 | 0.4775 |
Echinococcus granulosus | dna polymerase eta | 0.0054 | 1 | 1 |
Mycobacterium tuberculosis | Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) | 0.0023 | 0.16 | 0.5 |
Trichomonas vaginalis | DNA polymerase eta, putative | 0.0023 | 0.16 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0054 | 1 | 1 |
Schistosoma mansoni | lamin | 0.0033 | 0.4129 | 0.3011 |
Loa Loa (eye worm) | intermediate filament protein | 0.0033 | 0.4129 | 0.4129 |
Trichomonas vaginalis | DNA polymerase IV / kappa, putative | 0.0023 | 0.16 | 0.5 |
Leishmania major | DNA polymerase eta, putative | 0.0038 | 0.5611 | 0.4775 |
Echinococcus multilocularis | lamin | 0.0033 | 0.4129 | 0.3011 |
Brugia malayi | ImpB/MucB/SamB family protein | 0.0023 | 0.16 | 0.16 |
Toxoplasma gondii | ImpB/MucB/SamB family protein | 0.0038 | 0.5611 | 0.5 |
Echinococcus granulosus | lamin | 0.0033 | 0.4129 | 0.3011 |
Echinococcus granulosus | intermediate filament protein | 0.0033 | 0.4129 | 0.3011 |
Brugia malayi | intermediate filament protein | 0.0033 | 0.4129 | 0.4129 |
Trypanosoma cruzi | DNA polymerase eta, putative | 0.0054 | 1 | 1 |
Mycobacterium tuberculosis | Conserved hypothetical protein | 0.0023 | 0.16 | 0.5 |
Echinococcus multilocularis | lamin dm0 | 0.0033 | 0.4129 | 0.3011 |
Onchocerca volvulus | 0.0033 | 0.4129 | 0.5 | |
Echinococcus multilocularis | musashi | 0.0033 | 0.4129 | 0.3011 |
Loa Loa (eye worm) | hypothetical protein | 0.0033 | 0.4129 | 0.4129 |
Mycobacterium ulcerans | DNA polymerase IV | 0.0023 | 0.16 | 0.5 |
Schistosoma mansoni | intermediate filament proteins | 0.0033 | 0.4129 | 0.3011 |
Giardia lamblia | DINP protein human, muc B family | 0.0023 | 0.16 | 0.5 |
Mycobacterium ulcerans | DNA polymerase IV | 0.0023 | 0.16 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0032 | 0.3966 | 0.3966 |
Echinococcus multilocularis | dna polymerase eta | 0.0054 | 1 | 1 |
Trypanosoma brucei | DNA polymerase eta, putative | 0.0054 | 1 | 1 |
Schistosoma mansoni | lamin | 0.0033 | 0.4129 | 0.3011 |
Entamoeba histolytica | deoxycytidyl transferase, putative | 0.0023 | 0.16 | 0.5 |
Brugia malayi | Intermediate filament tail domain containing protein | 0.0033 | 0.4129 | 0.4129 |
Loa Loa (eye worm) | intermediate filament tail domain-containing protein | 0.0033 | 0.4129 | 0.4129 |
Loa Loa (eye worm) | ImpB/MucB/SamB family protein | 0.0023 | 0.16 | 0.16 |
Onchocerca volvulus | 0.0033 | 0.4129 | 0.5 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
Potency (functional) | 0.3162 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] | ChEMBL. | No reference |
Potency (functional) | = 2.8316 um | PUBCHEM_BIOASSAY: A qHTS for Small Molecule Inhibitors of Shiga Toxin (Confirmatory). (Class of assay: confirmatory) [Related pubchem assays: 2314, 2318, 2315 ] | ChEMBL. | No reference |
Potency (functional) | = 11.2202 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 14.7157 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) | = 17.7828 um | PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 20.5962 uM | PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] | ChEMBL. | No reference |
Potency (functional) | 25.898 uM | PUBCHEM_BIOASSAY: Concentration response confirmation assay for small molecule inhibitors of Shiga toxin. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2342] | ChEMBL. | No reference |
Potency (functional) | 28.1838 uM | PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] | ChEMBL. | No reference |
Potency (functional) | 37.933 uM | PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] | ChEMBL. | No reference |
Potency (binding) | 39.8107 uM | PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | = 44.6684 um | PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] | ChEMBL. | No reference |
Potency (functional) | 44.6684 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 |
Potency (functional) | 79.4328 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] | ChEMBL. | No reference |
Potency (functional) | = 199.5262 um | PUBCHEM_BIOASSAY: Total Fluorescence Counterscreen for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2. (Class of assay: confirmatory) | ChEMBL. | No reference |
Species name | Source | Reference | Is orphan |
---|---|---|---|
Plasmodium falciparum | 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.