Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | huntingtin | Starlite/ChEMBL | No references |
Homo sapiens | GNAS complex locus | Starlite/ChEMBL | No references |
Equus caballus | Ferritin light chain | Starlite/ChEMBL | No references |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Schistosoma mansoni | GTP-binding protein alpha subunit gna | GNAS complex locus | 394 aa | 450 aa | 28.7 % |
Schistosoma mansoni | ferritin | Ferritin light chain | 175 aa | 171 aa | 44.4 % |
Schistosoma mansoni | ferritin | Ferritin light chain | 175 aa | 171 aa | 43.9 % |
Echinococcus multilocularis | expressed protein | Ferritin light chain | 175 aa | 146 aa | 30.1 % |
Schistosoma mansoni | apoferritin-2 | Ferritin light chain | 175 aa | 142 aa | 29.6 % |
Schistosoma japonicum | Ferritin, putative | Ferritin light chain | 175 aa | 144 aa | 24.3 % |
Echinococcus granulosus | expressed protein | Ferritin light chain | 175 aa | 146 aa | 28.8 % |
Schistosoma mansoni | apoferritin-2 | Ferritin light chain | 175 aa | 146 aa | 28.8 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Echinococcus granulosus | thioredoxin glutathione reductase | 0.01 | 0.5883 | 1 |
Onchocerca volvulus | Huntingtin homolog | 0.0148 | 1 | 1 |
Brugia malayi | dihydrolipoyl dehydrogenase, mitochondrial precursor, putative | 0.0057 | 0.2219 | 0.1609 |
Loa Loa (eye worm) | hypothetical protein | 0.0039 | 0.0727 | 0.0727 |
Plasmodium falciparum | thioredoxin reductase | 0.01 | 0.5883 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0148 | 1 | 1 |
Wolbachia endosymbiont of Brugia malayi | dihydrolipoamide dehydrogenase E3 component | 0.0057 | 0.2219 | 0.5 |
Brugia malayi | Thioredoxin reductase | 0.01 | 0.5883 | 0.556 |
Chlamydia trachomatis | dihydrolipoyl dehydrogenase | 0.0057 | 0.2219 | 0.5 |
Trypanosoma cruzi | trypanothione reductase, putative | 0.01 | 0.5883 | 1 |
Treponema pallidum | NADH oxidase | 0.0057 | 0.2219 | 0.5 |
Brugia malayi | Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein | 0.0042 | 0.093 | 0.0219 |
Echinococcus multilocularis | chromobox protein 1 | 0.007 | 0.3365 | 0.3379 |
Echinococcus granulosus | dihydrolipoamide dehydrogenase | 0.0057 | 0.2219 | 0.0364 |
Loa Loa (eye worm) | GTP-binding regulatory protein Gs alpha-S chain | 0.0055 | 0.208 | 0.208 |
Loa Loa (eye worm) | heterochromatin protein 1 | 0.007 | 0.3365 | 0.3365 |
Onchocerca volvulus | Heterochromatin protein 1 homolog | 0.0039 | 0.0727 | 0.0727 |
Trichomonas vaginalis | chromobox protein, putative | 0.007 | 0.3365 | 1 |
Echinococcus granulosus | chromobox protein 1 | 0.007 | 0.3365 | 0.3379 |
Schistosoma mansoni | chromobox protein | 0.007 | 0.3365 | 0.3379 |
Schistosoma mansoni | dihydrolipoamide dehydrogenase | 0.0057 | 0.2219 | 0.0364 |
Mycobacterium ulcerans | dihydrolipoamide dehydrogenase | 0.0057 | 0.2219 | 0.5 |
Echinococcus multilocularis | thioredoxin glutathione reductase | 0.01 | 0.5883 | 1 |
Mycobacterium ulcerans | dihydrolipoamide dehydrogenase, LpdB | 0.0057 | 0.2219 | 0.5 |
Giardia lamblia | NADH oxidase lateral transfer candidate | 0.0057 | 0.2219 | 0.5 |
Brugia malayi | glutathione reductase | 0.01 | 0.5883 | 0.556 |
Wolbachia endosymbiont of Brugia malayi | dihydrolipoamide dehydrogenase E3 component | 0.0057 | 0.2219 | 0.5 |
Plasmodium falciparum | glutathione reductase | 0.01 | 0.5883 | 1 |
Mycobacterium leprae | DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE | 0.0057 | 0.2219 | 0.5 |
Mycobacterium tuberculosis | NADPH-dependent mycothiol reductase Mtr | 0.01 | 0.5883 | 1 |
Trichomonas vaginalis | chromobox protein, putative | 0.0042 | 0.0983 | 0.0969 |
Trypanosoma brucei | trypanothione reductase | 0.01 | 0.5883 | 1 |
Mycobacterium ulcerans | flavoprotein disulfide reductase | 0.0057 | 0.2219 | 0.5 |
Plasmodium vivax | thioredoxin reductase, putative | 0.01 | 0.5883 | 1 |
Trichomonas vaginalis | chromobox protein, putative | 0.0042 | 0.0983 | 0.0969 |
Onchocerca volvulus | Heterochromatin protein 1 homolog | 0.0042 | 0.0983 | 0.0983 |
Echinococcus multilocularis | dihydrolipoamide dehydrogenase | 0.0057 | 0.2219 | 0.0364 |
Brugia malayi | GTP-binding regulatory protein Gs alpha-S chain, putative | 0.0055 | 0.208 | 0.146 |
Onchocerca volvulus | Huntingtin homolog | 0.0148 | 1 | 1 |
Loa Loa (eye worm) | thioredoxin reductase | 0.01 | 0.5883 | 0.5883 |
Toxoplasma gondii | thioredoxin reductase | 0.01 | 0.5883 | 1 |
Brugia malayi | alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase | 0.0042 | 0.093 | 0.0219 |
Loa Loa (eye worm) | hypothetical protein | 0.0148 | 1 | 1 |
Leishmania major | trypanothione reductase | 0.01 | 0.5883 | 1 |
Schistosoma mansoni | chromobox protein | 0.007 | 0.3365 | 0.3379 |
Loa Loa (eye worm) | glutathione reductase | 0.01 | 0.5883 | 0.5883 |
Trichomonas vaginalis | glutathione reductase, putative | 0.0057 | 0.2219 | 0.5655 |
Echinococcus granulosus | chromobox protein 1 | 0.007 | 0.3365 | 0.3379 |
Plasmodium vivax | glutathione reductase, putative | 0.01 | 0.5883 | 1 |
Trichomonas vaginalis | chromobox protein, putative | 0.007 | 0.3365 | 1 |
Trichomonas vaginalis | mercuric reductase, putative | 0.0057 | 0.2219 | 0.5655 |
Brugia malayi | Heterochromatin protein 1 | 0.007 | 0.3365 | 0.2845 |
Echinococcus multilocularis | chromobox protein 1 | 0.007 | 0.3365 | 0.3379 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
Potency (binding) | = 6.3096 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 (functional) | 9.285 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 Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] | ChEMBL. | No reference |
Potency (functional) | 11.2202 uM | PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | = 28.1838 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | = 31.6228 um | PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] | ChEMBL. | No reference |
Potency (functional) | 31.6228 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) | 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 Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (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) | = 89.1251 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.