Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Mus musculus | GLI-Kruppel family member GLI1 | Starlite/ChEMBL | No references |
Influenza A virus | Nonstructural protein 1 | Starlite/ChEMBL | No references |
Homo sapiens | hydroxysteroid (17-beta) dehydrogenase 10 | Starlite/ChEMBL | No references |
Mus musculus | wingless-type MMTV integration site family, member 3A | Starlite/ChEMBL | No references |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Mycobacterium tuberculosis | Hypothetical protein | Nonstructural protein 1 | 230 aa | 202 aa | 23.8 % |
Brugia malayi | Wnt-2 protein precursor | wingless-type MMTV integration site family, member 3A | 352 aa | 355 aa | 39.7 % |
Plasmodium falciparum | 3-oxoacyl-[acyl-carrier-protein] reductase | hydroxysteroid (17-beta) dehydrogenase 10 | 252 aa | 251 aa | 24.7 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Leishmania major | 3-oxoacyl-(acyl-carrier protein) reductase, putative | 0.0069 | 0.1297 | 0.5 |
Loa Loa (eye worm) | 3-hydroxyacyl-CoA dehydrogenase type II | 0.0065 | 0.1163 | 0.1163 |
Schistosoma mansoni | 3-hydroxyacyl-CoA dehydrogenase | 0.0069 | 0.1297 | 0.3039 |
Mycobacterium ulcerans | short-chain type dehydrogenase/reductase | 0.0069 | 0.1297 | 0.5 |
Brugia malayi | 3-hydroxyacyl-CoA dehydrogenase type II | 0.0069 | 0.1297 | 0.1297 |
Echinococcus multilocularis | 3 hydroxyacyl coenzyme A dehydrogenase type 2 | 0.0069 | 0.1297 | 0.1297 |
Echinococcus multilocularis | Mitotic checkpoint protein PRCC, C terminal | 0.0149 | 0.3582 | 0.3582 |
Schistosoma mansoni | thyroid hormone receptor | 0.0173 | 0.4268 | 1 |
Mycobacterium ulcerans | short-chain type dehydrogenase/reductase | 0.0069 | 0.1297 | 0.5 |
Schistosoma mansoni | thyroid hormone receptor | 0.0173 | 0.4268 | 1 |
Echinococcus multilocularis | Basic leucine zipper (bZIP) transcription factor | 0.0099 | 0.2162 | 0.2162 |
Echinococcus granulosus | Mitotic checkpoint protein PRCC C terminal | 0.0149 | 0.3582 | 0.3582 |
Brugia malayi | bZIP transcription factor family protein | 0.0099 | 0.2162 | 0.2162 |
Onchocerca volvulus | 0.0078 | 0.155 | 1 | |
Schistosoma mansoni | hypothetical protein | 0.0149 | 0.3582 | 0.8394 |
Echinococcus multilocularis | jun protein | 0.0099 | 0.2162 | 0.2162 |
Mycobacterium tuberculosis | Probable short-chain type dehydrogenase/reductase | 0.0069 | 0.1297 | 0.5 |
Schistosoma mansoni | jun-related protein | 0.0081 | 0.1628 | 0.3815 |
Schistosoma mansoni | hypothetical protein | 0.0081 | 0.1628 | 0.3815 |
Loa Loa (eye worm) | hypothetical protein | 0.0097 | 0.2083 | 0.2083 |
Brugia malayi | hypothetical protein | 0.0078 | 0.155 | 0.155 |
Echinococcus granulosus | 3 hydroxyacyl coenzyme A dehydrogenase type 2 | 0.0069 | 0.1297 | 0.1297 |
Echinococcus granulosus | jun protein | 0.0099 | 0.2162 | 0.2162 |
Echinococcus multilocularis | thyroid hormone receptor alpha | 0.0173 | 0.4268 | 0.4268 |
Echinococcus granulosus | Basic leucine zipper bZIP transcription factor | 0.0099 | 0.2162 | 0.2162 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
IC50 (functional) | 1.7 uM | PubChem BioAssay. Dose response validation of uHTS Gli-SUFU antagonist hits in a Wnt3a luminescent reporter assay. (Class of assay: confirmatory) | ChEMBL. | No reference |
IC50 (functional) | 8.95 uM | PubChem BioAssay. Dose response confirmation of uHTS antagonist hits from Gli-SUFU in a luminescent reporter assay. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 4.1475 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) | = 10 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 10.4179 uM | PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] | ChEMBL. | No reference |
Potency (functional) | = 19.9526 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 23.1093 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 (binding) | = 25.1189 um | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] | ChEMBL. | No reference |
Potency (functional) | 30.1313 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 (functional) | 35.4813 uM | PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] | ChEMBL. | No reference |
Potency (functional) | = 39.8107 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (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 |
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.