Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Bacillus subtilis | 4'-phosphopantetheinyl transferase ffp | Starlite/ChEMBL | No references |
Homo sapiens | geminin, DNA replication inhibitor | Starlite/ChEMBL | No references |
Homo sapiens | tumor protein p53 | Starlite/ChEMBL | No references |
Schistosoma mansoni | Thioredoxin glutathione reductase | Starlite/ChEMBL | No references |
Homo sapiens | glucagon-like peptide 1 receptor | Starlite/ChEMBL | No references |
Homo sapiens | glucosidase, alpha | Starlite/ChEMBL | No references |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Trichomonas vaginalis | alpha-glucosidase, putative | 0.0044 | 0 | 0.5 |
Echinococcus granulosus | L aminoadipate semialdehyde | 0.01 | 0.0528 | 0.0528 |
Plasmodium vivax | glutathione reductase, putative | 0.0046 | 0.0019 | 0.5 |
Trichomonas vaginalis | alpha-glucosidase, putative | 0.0044 | 0 | 0.5 |
Mycobacterium leprae | DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE | 0.0116 | 0.0671 | 1 |
Echinococcus multilocularis | tumor protein p63 | 0.0408 | 0.3389 | 0.3389 |
Brugia malayi | glutathione reductase | 0.0046 | 0.0019 | 0.002 |
Onchocerca volvulus | 0.0114 | 0.0652 | 1 | |
Trichomonas vaginalis | sucrase-isomaltase, putative | 0.0044 | 0 | 0.5 |
Mycobacterium tuberculosis | NAD(P)H quinone reductase LpdA | 0.0116 | 0.0671 | 1 |
Entamoeba histolytica | glycosyl hydrolase, family 31 protein | 0.0044 | 0 | 0.5 |
Brugia malayi | Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein | 0.0282 | 0.2215 | 0.2299 |
Schistosoma mansoni | alpha-glucosidase | 0.0169 | 0.1169 | 0.1169 |
Loa Loa (eye worm) | glutathione reductase | 0.0046 | 0.0019 | 0.0019 |
Schistosoma mansoni | dopamine-beta-monooxygenase | 0.0282 | 0.2215 | 0.2215 |
Echinococcus granulosus | thioredoxin glutathione reductase | 0.0046 | 0.0024 | 0.0024 |
Plasmodium falciparum | glutathione reductase | 0.0046 | 0.0019 | 0.5 |
Plasmodium falciparum | thioredoxin reductase | 0.0046 | 0.0019 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.01 | 0.0528 | 0.053 |
Brugia malayi | Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein | 0.0531 | 0.453 | 0.47 |
Toxoplasma gondii | thioredoxin reductase | 0.0046 | 0.0019 | 1 |
Mycobacterium tuberculosis | Probable reductase | 0.0104 | 0.0563 | 0.8342 |
Schistosoma mansoni | serine/threonine protein kinase | 0.1119 | 1 | 1 |
Mycobacterium tuberculosis | Probable dehydrogenase | 0.0104 | 0.0563 | 0.8342 |
Trichomonas vaginalis | alpha-glucosidase, putative | 0.0044 | 0 | 0.5 |
Leishmania major | trypanothione reductase | 0.0046 | 0.0019 | 1 |
Schistosoma mansoni | alpha-glucosidase | 0.0169 | 0.1169 | 0.1169 |
Brugia malayi | Glycosyl hydrolases family 31 protein | 0.0197 | 0.1424 | 0.1478 |
Echinococcus multilocularis | L aminoadipate semialdehyde | 0.01 | 0.0528 | 0.0528 |
Loa Loa (eye worm) | glycosyl hydrolase family 31 protein | 0.0197 | 0.1424 | 0.1431 |
Loa Loa (eye worm) | thioredoxin reductase | 0.0046 | 0.0019 | 0.0019 |
Trichomonas vaginalis | neutral alpha-glucosidase ab precursor, putative | 0.0044 | 0 | 0.5 |
Loa Loa (eye worm) | pigment dispersing factor receptor c | 0.006 | 0.0154 | 0.0155 |
Echinococcus granulosus | tumor protein p63 | 0.0408 | 0.3389 | 0.3389 |
Echinococcus granulosus | lysosomal alpha glucosidase | 0.0197 | 0.1424 | 0.1424 |
Onchocerca volvulus | 0.01 | 0.0528 | 0.7523 | |
Schistosoma mansoni | hypothetical protein | 0.0205 | 0.1497 | 0.1497 |
Brugia malayi | Copper type II ascorbate-dependent monooxygenase, N-terminal domain containing protein | 0.0143 | 0.0924 | 0.0959 |
Echinococcus granulosus | peptidyl glycine alpha amidating monooxygenase | 0.0531 | 0.453 | 0.453 |
Schistosoma mansoni | hypothetical protein | 0.0205 | 0.1497 | 0.1497 |
Trichomonas vaginalis | neutral alpha-glucosidase ab precursor, putative | 0.0044 | 0 | 0.5 |
Echinococcus multilocularis | geminin | 0.0205 | 0.1497 | 0.1497 |
Mycobacterium tuberculosis | Putative ferredoxin reductase | 0.0104 | 0.0563 | 0.8342 |
Loa Loa (eye worm) | hypothetical protein | 0.006 | 0.0149 | 0.015 |
Mycobacterium tuberculosis | Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras | 0.0116 | 0.0671 | 1 |
Trypanosoma cruzi | trypanothione reductase, putative | 0.0046 | 0.0019 | 1 |
Trichomonas vaginalis | alpha-glucosidase, putative | 0.0044 | 0 | 0.5 |
Schistosoma mansoni | cellular tumor antigen P53 | 0.006 | 0.0149 | 0.0149 |
Echinococcus granulosus | geminin | 0.0205 | 0.1497 | 0.1497 |
Brugia malayi | Calcitonin receptor-like protein seb-1 | 0.006 | 0.0154 | 0.016 |
Echinococcus multilocularis | lysosomal alpha glucosidase | 0.0197 | 0.1424 | 0.1424 |
Loa Loa (eye worm) | hypothetical protein | 0.0531 | 0.453 | 0.4553 |
Brugia malayi | Corticotropin releasing factor receptor 2 precursor, putative | 0.006 | 0.0154 | 0.016 |
Loa Loa (eye worm) | hypothetical protein | 0.006 | 0.0154 | 0.0155 |
Echinococcus multilocularis | peptidyl glycine alpha amidating monooxygenase | 0.0531 | 0.453 | 0.453 |
Loa Loa (eye worm) | hypothetical protein | 0.0282 | 0.2215 | 0.2227 |
Schistosoma mansoni | peptidylglycine monooxygenase | 0.0282 | 0.2215 | 0.2215 |
Brugia malayi | Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein | 0.0139 | 0.0885 | 0.0918 |
Plasmodium vivax | thioredoxin reductase, putative | 0.0046 | 0.0019 | 0.5 |
Schistosoma mansoni | peptidyl-glycine monooxygenase | 0.0531 | 0.453 | 0.453 |
Echinococcus multilocularis | raf serine:threonine protein kinase | 0.1119 | 1 | 1 |
Brugia malayi | Raf kinase | 0.108 | 0.9637 | 1 |
Trypanosoma brucei | trypanothione reductase | 0.0046 | 0.0019 | 1 |
Trichomonas vaginalis | maltase-glucoamylase, putative | 0.0044 | 0 | 0.5 |
Brugia malayi | Thioredoxin reductase | 0.0046 | 0.0019 | 0.002 |
Trichomonas vaginalis | alpha-glucosidase, putative | 0.0044 | 0 | 0.5 |
Mycobacterium tuberculosis | Probable oxidoreductase | 0.0116 | 0.0671 | 1 |
Loa Loa (eye worm) | raf kinase | 0.1113 | 0.9949 | 1 |
Mycobacterium tuberculosis | Probable NADH dehydrogenase Ndh | 0.0104 | 0.0563 | 0.8342 |
Echinococcus multilocularis | lysosomal alpha glucosidase | 0.0197 | 0.1424 | 0.1424 |
Entamoeba histolytica | glycosyl hydrolase, family 31 protein | 0.0044 | 0 | 0.5 |
Schistosoma mansoni | aminoadipate-semialdehyde dehydrogenase | 0.01 | 0.0528 | 0.0528 |
Loa Loa (eye worm) | TKL/RAF/RAF protein kinase | 0.0634 | 0.5494 | 0.5522 |
Brugia malayi | aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase | 0.01 | 0.0528 | 0.0548 |
Mycobacterium tuberculosis | Probable membrane NADH dehydrogenase NdhA | 0.0104 | 0.0563 | 0.8342 |
Mycobacterium tuberculosis | Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB | 0.0104 | 0.0563 | 0.8342 |
Echinococcus multilocularis | thioredoxin glutathione reductase | 0.0046 | 0.0024 | 0.0024 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
Potency (functional) | = 1.9953 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] | ChEMBL. | No reference |
Potency (functional) | = 1.9953 um | PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] | ChEMBL. | No reference |
Potency (functional) | 11.2202 uM | PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 14.581 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) | = 17.7828 um | PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] | ChEMBL. | No reference |
Potency (functional) | 18.3564 uM | PubChem BioAssay. qHTS assay for re-activators of p53 using a Luc reporter: Hit Validation. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | = 19.9526 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 22.3872 uM | PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 23.7781 uM | PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 25.1189 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] | ChEMBL. | No reference |
Potency (functional) | 25.1189 uM | PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | = 28.1838 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 29.0929 uM | PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | = 31.6228 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | = 31.6228 um | PUBCHEM_BIOASSAY: qHTS Assay for Allosteric/Competitive Inhibitors of Caspase-1. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 31.6228 uM | PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (binding) | = 35.4813 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) | = 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) | 70.7946 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 |
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.