Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | cytochrome P450, family 3, subfamily A, polypeptide 4 | Starlite/ChEMBL | No references |
Homo sapiens | arachidonate 15-lipoxygenase, type B | Starlite/ChEMBL | No references |
Homo sapiens | hydroxysteroid (17-beta) dehydrogenase 10 | Starlite/ChEMBL | No references |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Brugia malayi | cytochrome P450 | cytochrome P450, family 3, subfamily A, polypeptide 4 | 502 aa | 492 aa | 24.2 % |
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 |
---|---|---|---|---|
Schistosoma mansoni | lipoxygenase | 0.01 | 0.0815 | 0.0815 |
Onchocerca volvulus | Pyruvate kinase homolog | 0.0441 | 1 | 0.5 |
Trypanosoma brucei | pyruvate kinase 1 | 0.0441 | 1 | 1 |
Trypanosoma brucei | pyruvate kinase 1, putative | 0.0441 | 1 | 1 |
Echinococcus multilocularis | pyruvate kinase | 0.0348 | 0.7501 | 0.7501 |
Brugia malayi | pyruvate kinase | 0.0093 | 0.0636 | 0.0636 |
Brugia malayi | pyruvate kinase, muscle isozyme | 0.0093 | 0.0636 | 0.0636 |
Echinococcus granulosus | pyruvate kinase | 0.0441 | 1 | 1 |
Loa Loa (eye worm) | pyruvate kinase-PB | 0.0308 | 0.641 | 0.6166 |
Loa Loa (eye worm) | pyruvate kinase | 0.0441 | 1 | 1 |
Echinococcus granulosus | pyruvate kinase | 0.0226 | 0.4226 | 0.4226 |
Loa Loa (eye worm) | pyruvate kinase | 0.0441 | 1 | 1 |
Chlamydia trachomatis | pyruvate kinase | 0.0441 | 1 | 1 |
Echinococcus granulosus | arachidonate 5 lipoxygenase | 0.0142 | 0.1967 | 0.1967 |
Echinococcus multilocularis | pyruvate kinase | 0.0441 | 1 | 1 |
Schistosoma mansoni | lipoxygenase | 0.0142 | 0.1967 | 0.1967 |
Loa Loa (eye worm) | hypothetical protein | 0.0308 | 0.641 | 0.6166 |
Leishmania major | pyruvate phosphate dikinase, putative | 0.0185 | 0.3099 | 0.3099 |
Echinococcus multilocularis | pyruvate kinase | 0.0226 | 0.4226 | 0.4226 |
Mycobacterium ulcerans | hypothetical protein | 0.0185 | 0.3099 | 0.3099 |
Echinococcus granulosus | pyruvate kinase | 0.0226 | 0.4226 | 0.4226 |
Brugia malayi | Pyruvate kinase, alpha/beta domain containing protein | 0.0133 | 0.1727 | 0.1727 |
Echinococcus multilocularis | pyruvate kinase | 0.0226 | 0.4226 | 0.4226 |
Wolbachia endosymbiont of Brugia malayi | pyruvate phosphate dikinase | 0.0185 | 0.3099 | 0.5 |
Plasmodium vivax | pyruvate kinase, putative | 0.0441 | 1 | 1 |
Mycobacterium ulcerans | pyruvate kinase | 0.0441 | 1 | 1 |
Echinococcus granulosus | pyruvate kinase | 0.0441 | 1 | 1 |
Leishmania major | pyruvate kinase | 0.0441 | 1 | 1 |
Mycobacterium tuberculosis | Probable pyruvate kinase PykA | 0.0441 | 1 | 1 |
Mycobacterium leprae | Probable pyruvate kinase PykA | 0.0441 | 1 | 1 |
Trichomonas vaginalis | pyruvate kinase, putative | 0.0441 | 1 | 1 |
Giardia lamblia | Pyruvate kinase | 0.0226 | 0.4226 | 0.1633 |
Trichomonas vaginalis | pyruvate kinase, putative | 0.0441 | 1 | 1 |
Onchocerca volvulus | Pyruvate kinase homolog | 0.0441 | 1 | 0.5 |
Trypanosoma cruzi | pyruvate kinase 2, putative | 0.0441 | 1 | 1 |
Plasmodium falciparum | pyruvate kinase | 0.0441 | 1 | 1 |
Schistosoma mansoni | pyruvate kinase | 0.0441 | 1 | 1 |
Brugia malayi | Pyruvate kinase, M2 isozyme | 0.0441 | 1 | 1 |
Mycobacterium ulcerans | pyruvate phosphate dikinase | 0.0185 | 0.3099 | 0.3099 |
Trypanosoma cruzi | pyruvate kinase 2, putative | 0.0441 | 1 | 1 |
Echinococcus multilocularis | pyruvate kinase | 0.0441 | 1 | 1 |
Leishmania major | pyruvate kinase | 0.0441 | 1 | 1 |
Toxoplasma gondii | pyruvate kinase PyK1 | 0.0441 | 1 | 1 |
Mycobacterium tuberculosis | Probable pyruvate, phosphate dikinase PpdK | 0.0185 | 0.3099 | 0.3099 |
Onchocerca volvulus | Pyruvate kinase homolog | 0.0441 | 1 | 0.5 |
Treponema pallidum | pyruvate phosphate dikinase | 0.0185 | 0.3099 | 0.5 |
Schistosoma mansoni | pyruvate kinase | 0.0226 | 0.4226 | 0.4226 |
Echinococcus granulosus | pyruvate kinase | 0.0226 | 0.4226 | 0.4226 |
Echinococcus multilocularis | arachidonate 5 lipoxygenase | 0.0142 | 0.1967 | 0.1967 |
Schistosoma mansoni | pyruvate kinase | 0.0441 | 1 | 1 |
Echinococcus multilocularis | pyruvate kinase | 0.0226 | 0.4226 | 0.4226 |
Giardia lamblia | Pyruvate kinase | 0.0441 | 1 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0441 | 1 | 1 |
Loa Loa (eye worm) | pyruvate kinase | 0.0441 | 1 | 1 |
Mycobacterium tuberculosis | Conserved hypothetical protein | 0.0185 | 0.3099 | 0.3099 |
Entamoeba histolytica | pyruvate kinase, putative | 0.0308 | 0.641 | 1 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
Potency (ADMET) | = 10 um | PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] | ChEMBL. | No reference |
Potency (ADMET) | = 10 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] | ChEMBL. | No reference |
Potency (functional) | 12.5893 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO-2 (15-human lipoxygenase 2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2312, AID2537, AID2702] | 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) | = 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) | = 28.1838 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) | = 28.1838 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] | ChEMBL. | No reference |
Potency (functional) | = 31.6228 um | PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | = 31.6228 um | PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) | 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.