Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | geminin, DNA replication inhibitor | Starlite/ChEMBL | No references |
Homo sapiens | vitamin D (1,25- dihydroxyvitamin D3) receptor | Starlite/ChEMBL | No references |
Homo sapiens | ubiquitin specific peptidase 2 | Starlite/ChEMBL | No references |
Homo sapiens | microtubule-associated protein tau | Starlite/ChEMBL | No references |
Homo sapiens | huntingtin | Starlite/ChEMBL | No references |
Homo sapiens | neuropeptide S receptor 1 | Starlite/ChEMBL | No references |
Mus musculus | RAR-related orphan receptor gamma | Starlite/ChEMBL | No references |
Homo sapiens | glucagon-like peptide 1 receptor | Starlite/ChEMBL | No references |
Influenza A virus | Nonstructural protein 1 | Starlite/ChEMBL | No references |
Escherichia coli | penicillin-binding protein | Starlite/ChEMBL | No references |
Homo sapiens | survival of motor neuron 2, centromeric | Starlite/ChEMBL | No references |
Homo sapiens | ATPase family, AAA domain containing 5 | Starlite/ChEMBL | No references |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Plasmodium falciparum | ubiquitin specific protease, putative | ubiquitin specific peptidase 2 | 362 aa | 378 aa | 25.7 % |
Brugia malayi | steroid hormone receptor | vitamin D (1,25- dihydroxyvitamin D3) receptor | 427 aa | 416 aa | 24.5 % |
Mycobacterium tuberculosis | Hypothetical protein | Nonstructural protein 1 | 230 aa | 202 aa | 23.8 % |
Loa Loa (eye worm) | pigment dispersing factor receptor c | glucagon-like peptide 1 receptor | 463 aa | 388 aa | 25.8 % |
Brugia malayi | Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X | geminin, DNA replication inhibitor | 209 aa | 176 aa | 27.8 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Schistosoma mansoni | carbonic anhydrase-related | 0.0914 | 0.5291 | 0.5291 |
Schistosoma mansoni | hypothetical protein | 0.0205 | 0.0973 | 0.0973 |
Mycobacterium tuberculosis | Beta-carbonic anhydrase CanB | 0.0792 | 0.4547 | 1 |
Entamoeba histolytica | carbonic anhydrase, putative | 0.1395 | 0.8218 | 1 |
Echinococcus multilocularis | carbonic anhydrase | 0.0914 | 0.5291 | 0.5291 |
Brugia malayi | Iron-sulfur cluster assembly accessory protein | 0.0058 | 0.0083 | 0.0083 |
Brugia malayi | Eukaryotic-type carbonic anhydrase family protein | 0.0914 | 0.5291 | 0.5291 |
Onchocerca volvulus | Huntingtin homolog | 0.0148 | 0.0628 | 1 |
Brugia malayi | Eukaryotic-type carbonic anhydrase family protein | 0.0914 | 0.5291 | 0.5291 |
Schistosoma mansoni | carbonic anhydrase | 0.1395 | 0.8218 | 0.8218 |
Loa Loa (eye worm) | eukaryotic-type carbonic anhydrase | 0.1688 | 1 | 1 |
Schistosoma mansoni | hypothetical protein | 0.0205 | 0.0973 | 0.0973 |
Schistosoma mansoni | microtubule-associated protein tau | 0.0833 | 0.4798 | 0.4798 |
Brugia malayi | Corticotropin releasing factor receptor 2 precursor, putative | 0.006 | 0.0095 | 0.0095 |
Loa Loa (eye worm) | hypothetical protein | 0.0148 | 0.0628 | 0.0628 |
Loa Loa (eye worm) | hypothetical protein | 0.006 | 0.0095 | 0.0095 |
Mycobacterium ulcerans | carbonic anhydrase | 0.1395 | 0.8218 | 1 |
Trichomonas vaginalis | conserved hypothetical protein | 0.0603 | 0.3399 | 1 |
Brugia malayi | Carbonic anhydrase like protein 2 precursor | 0.0914 | 0.5291 | 0.5291 |
Trypanosoma brucei | carbonic anhydrase-like protein | 0.1688 | 1 | 1 |
Schistosoma mansoni | hypothetical protein | 0.0058 | 0.0083 | 0.0083 |
Loa Loa (eye worm) | eukaryotic-type carbonic anhydrase | 0.0914 | 0.5291 | 0.5291 |
Echinococcus multilocularis | neuropeptide receptor A26 | 0.0558 | 0.3126 | 0.3126 |
Loa Loa (eye worm) | pigment dispersing factor receptor c | 0.006 | 0.0095 | 0.0095 |
Echinococcus multilocularis | carbonic anhydrase | 0.0914 | 0.5291 | 0.5291 |
Loa Loa (eye worm) | hypothetical protein | 0.0914 | 0.5291 | 0.5291 |
Echinococcus multilocularis | microtubule associated protein 2 | 0.0833 | 0.4798 | 0.4798 |
Echinococcus granulosus | carbonic anhydrase | 0.0914 | 0.5291 | 0.5291 |
Schistosoma mansoni | carbonic anhydrase-related | 0.0914 | 0.5291 | 0.5291 |
Echinococcus multilocularis | survival motor neuron protein 1 | 0.0286 | 0.1466 | 0.1466 |
Brugia malayi | Calcitonin receptor-like protein seb-1 | 0.006 | 0.0095 | 0.0095 |
Schistosoma mansoni | carbonic anhydrase-related | 0.0914 | 0.5291 | 0.5291 |
Brugia malayi | Putative carbonic anhydrase 5 precursor | 0.1688 | 1 | 1 |
Echinococcus granulosus | geminin | 0.0205 | 0.0973 | 0.0973 |
Echinococcus granulosus | neuropeptide s receptor | 0.0558 | 0.3126 | 0.3126 |
Echinococcus granulosus | microtubule associated protein 2 | 0.0833 | 0.4798 | 0.4798 |
Echinococcus granulosus | carbonic anhydrase | 0.0914 | 0.5291 | 0.5291 |
Echinococcus granulosus | carbonic anhydrase | 0.0914 | 0.5291 | 0.5291 |
Echinococcus multilocularis | carbonic anhydrase | 0.0914 | 0.5291 | 0.5291 |
Trypanosoma cruzi | carbonic anhydrase-like protein, putative | 0.1688 | 1 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0286 | 0.1466 | 0.1466 |
Loa Loa (eye worm) | hypothetical protein | 0.0914 | 0.5291 | 0.5291 |
Echinococcus multilocularis | carbonic anhydrase II | 0.1688 | 1 | 1 |
Brugia malayi | hypothetical protein | 0.0286 | 0.1466 | 0.1466 |
Echinococcus multilocularis | atpase aaa+ type core atpase aaa type core | 0.0979 | 0.5686 | 0.5686 |
Echinococcus granulosus | survival motor neuron protein 1 | 0.0286 | 0.1466 | 0.1466 |
Giardia lamblia | Ubiquitin carboxyl-terminal hydrolase 4 | 0.0045 | 0 | 0.5 |
Echinococcus multilocularis | neuropeptide s receptor | 0.0558 | 0.3126 | 0.3126 |
Plasmodium falciparum | carbonic anhydrase | 0.0914 | 0.5291 | 0.5 |
Echinococcus granulosus | carbonic anhydrase II | 0.1688 | 1 | 1 |
Brugia malayi | hypothetical protein | 0.0148 | 0.0628 | 0.0628 |
Echinococcus multilocularis | geminin | 0.0205 | 0.0973 | 0.0973 |
Leishmania major | carbonic anhydrase-like protein | 0.1688 | 1 | 1 |
Schistosoma mansoni | carbonic anhydrase II (carbonate dehydratase II) | 0.1688 | 1 | 1 |
Schistosoma mansoni | carbonic anhydrase | 0.0914 | 0.5291 | 0.5291 |
Mycobacterium leprae | CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) | 0.1395 | 0.8218 | 0.5 |
Echinococcus granulosus | neuropeptide receptor A26 | 0.0558 | 0.3126 | 0.3126 |
Trypanosoma cruzi | carbonic anhydrase-like protein, putative | 0.1688 | 1 | 1 |
Leishmania major | carbonic anhydrase family protein, putative | 0.1395 | 0.8218 | 0.8218 |
Brugia malayi | Eukaryotic-type carbonic anhydrase family protein | 0.0914 | 0.5291 | 0.5291 |
Loa Loa (eye worm) | hypothetical protein | 0.0148 | 0.0628 | 0.0628 |
Loa Loa (eye worm) | carbonic anhydrase 3 | 0.1688 | 1 | 1 |
Trichomonas vaginalis | conserved hypothetical protein | 0.0603 | 0.3399 | 1 |
Toxoplasma gondii | hypothetical protein | 0.0914 | 0.5291 | 0.5 |
Mycobacterium tuberculosis | Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) | 0.0603 | 0.3399 | 0.6333 |
Schistosoma mansoni | carbonic anhydrase II (carbonate dehydratase II) | 0.1688 | 1 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0914 | 0.5291 | 0.5291 |
Brugia malayi | Carbonic anhydrase like protein 2 precursor | 0.0914 | 0.5291 | 0.5291 |
Schistosoma mansoni | hypothetical protein | 0.0914 | 0.5291 | 0.5291 |
Schistosoma mansoni | survival motor neuron protein | 0.0058 | 0.0083 | 0.0083 |
Onchocerca volvulus | Huntingtin homolog | 0.0148 | 0.0628 | 1 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
Potency (functional) | = 0.2818 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | = 1.5849 um | PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 3.1623 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) | = 5.0119 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) | = 5.0119 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 8.9125 uM | PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) | 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) | = 10 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) | 11.6891 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) | = 12.5893 um | PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 12.9953 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) | = 14.1254 um | PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | = 14.1254 um | PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] | ChEMBL. | No reference |
Potency (functional) | 14.1254 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) | 25.929 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) | 29.0929 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) | = 31.6228 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) | 35.4813 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] | ChEMBL. | No reference |
Potency (functional) | = 39.8107 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 (binding) | = 100 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 |
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.