Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | microtubule-associated protein tau | Starlite/ChEMBL | No references |
Homo sapiens | nuclear factor, erythroid 2-like 2 | Starlite/ChEMBL | No references |
Homo sapiens | tumor protein p53 | Starlite/ChEMBL | No references |
Homo sapiens | SMAD family member 2 | Starlite/ChEMBL | No references |
Homo sapiens | survival of motor neuron 2, centromeric | Starlite/ChEMBL | No references |
Influenza A virus | Nonstructural protein 1 | Starlite/ChEMBL | No references |
Homo sapiens | mitogen-activated protein kinase 1 | Starlite/ChEMBL | No references |
Homo sapiens | geminin, DNA replication inhibitor | Starlite/ChEMBL | No references |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Trypanosoma brucei | mitogen-activated protein kinase 5 | mitogen-activated protein kinase 1 | 360 aa | 361 aa | 33.2 % |
Mycobacterium tuberculosis | Hypothetical protein | Nonstructural protein 1 | 230 aa | 202 aa | 23.8 % |
Brugia malayi | MH2 domain containing protein | SMAD family member 2 | 467 aa | 405 aa | 31.6 % |
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 |
---|---|---|---|---|
Trichomonas vaginalis | fructose-bisphosphate aldolase, putative | 0.0631 | 0.7144 | 1 |
Brugia malayi | hypothetical protein | 0.0043 | 0.0065 | 0.0123 |
Schistosoma mansoni | serine/threonine protein kinase | 0.0062 | 0.0283 | 0.0295 |
Entamoeba histolytica | fructose-1,6-bisphosphate aldolase, putative | 0.0631 | 0.7144 | 1 |
Mycobacterium ulcerans | 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase | 0.0084 | 0.0557 | 0.0378 |
Plasmodium falciparum | acyl-CoA synthetase | 0.0271 | 0.281 | 0.5 |
Trichomonas vaginalis | pyruvate-flavodoxin oxidoreductase, putative | 0.0069 | 0.0372 | 0.013 |
Giardia lamblia | Pyruvate-flavodoxin oxidoreductase | 0.0069 | 0.0372 | 0.013 |
Trichomonas vaginalis | pyruvate-flavodoxin oxidoreductase, putative | 0.0069 | 0.0372 | 0.013 |
Echinococcus multilocularis | geminin | 0.0205 | 0.2007 | 0.2007 |
Mycobacterium ulcerans | putative oxalyl-CoA decarboxylase | 0.0474 | 0.5253 | 1 |
Trichomonas vaginalis | fructose-bisphosphate aldolase, putative | 0.0631 | 0.7144 | 1 |
Echinococcus multilocularis | mitogen activated protein kinase 3 | 0.0062 | 0.0283 | 0.0283 |
Mycobacterium ulcerans | hypothetical protein | 0.0474 | 0.5253 | 1 |
Mycobacterium tuberculosis | Acetolactate synthase (large subunit) IlvB1 (acetohydroxy-acid synthase) | 0.0203 | 0.1985 | 0.3304 |
Mycobacterium ulcerans | acetolactate synthase large subunit IlvB | 0.0271 | 0.281 | 0.4994 |
Schistosoma mansoni | microtubule-associated protein tau | 0.0833 | 0.9584 | 1 |
Trichomonas vaginalis | pyruvate-flavodoxin oxidoreductase, putative | 0.0069 | 0.0372 | 0.013 |
Schistosoma mansoni | acetolactate synthase | 0.0405 | 0.4422 | 0.4614 |
Mycobacterium ulcerans | pyruvate or indole-3-pyruvate decarboxylase Pdc | 0.0271 | 0.281 | 0.4994 |
Brugia malayi | Thiamine pyrophosphate enzyme, central domain containing protein | 0.0474 | 0.5253 | 1 |
Schistosoma mansoni | hypothetical protein | 0.0058 | 0.0243 | 0.0254 |
Mycobacterium tuberculosis | Probable oxalyl-CoA decarboxylase OxcA | 0.0474 | 0.5253 | 1 |
Mycobacterium ulcerans | acetolactate synthase | 0.0271 | 0.281 | 0.4994 |
Toxoplasma gondii | CMGC kinase, MAPK family (ERK) MAPK-1 | 0.0062 | 0.0283 | 0.5 |
Schistosoma mansoni | hypothetical protein | 0.0043 | 0.0065 | 0.0068 |
Trypanosoma cruzi | phosphonopyruvate decarboxylase, putative | 0.0153 | 0.1387 | 1 |
Schistosoma mansoni | transcription factor LCR-F1 | 0.0043 | 0.0065 | 0.0068 |
Mycobacterium tuberculosis | Probable fructose-bisphosphate aldolase Fba | 0.0308 | 0.3255 | 0.5907 |
Schistosoma mansoni | hypothetical protein | 0.0205 | 0.2007 | 0.2094 |
Loa Loa (eye worm) | hypothetical protein | 0.006 | 0.0261 | 0.087 |
Onchocerca volvulus | 0.006 | 0.0261 | 1 | |
Loa Loa (eye worm) | transcription factor SMAD2 | 0.0144 | 0.1279 | 0.4262 |
Echinococcus multilocularis | mitogen activated protein kinase | 0.0062 | 0.0283 | 0.0283 |
Echinococcus granulosus | survival motor neuron protein 1 | 0.0286 | 0.2983 | 0.3112 |
Brugia malayi | Iron-sulfur cluster assembly accessory protein | 0.0058 | 0.0243 | 0.0463 |
Trichomonas vaginalis | fructose-bisphosphate aldolase, putative | 0.0631 | 0.7144 | 1 |
Schistosoma mansoni | acetolactate synthase | 0.0405 | 0.4422 | 0.4614 |
Trichomonas vaginalis | fructose-bisphosphate aldolase, putative | 0.0631 | 0.7144 | 1 |
Echinococcus granulosus | Basic leucine zipper bZIP transcription | 0.0043 | 0.0065 | 0.0068 |
Echinococcus multilocularis | survival motor neuron protein 1 | 0.0286 | 0.2983 | 0.2983 |
Entamoeba histolytica | pyruvate:ferredoxin oxidoreductase | 0.0069 | 0.0372 | 0.0434 |
Trichomonas vaginalis | pyruvate-flavodoxin oxidoreductase, putative | 0.0069 | 0.0372 | 0.013 |
Treponema pallidum | fructose-bisphosphate aldolase | 0.0631 | 0.7144 | 1 |
Giardia lamblia | Fructose-bisphosphate aldolase | 0.0631 | 0.7144 | 1 |
Loa Loa (eye worm) | MH2 domain-containing protein | 0.0144 | 0.1279 | 0.4262 |
Echinococcus granulosus | microtubule associated protein 2 | 0.0833 | 0.9584 | 1 |
Echinococcus granulosus | mitogen activated protein kinase | 0.0062 | 0.0283 | 0.0295 |
Leishmania major | phosphonopyruvate decarboxylase-like protein | 0.0153 | 0.1387 | 0.4371 |
Trichomonas vaginalis | fructose-bisphosphate aldolase, putative | 0.0631 | 0.7144 | 1 |
Trichomonas vaginalis | fructose-bisphosphate aldolase, putative | 0.0631 | 0.7144 | 1 |
Mycobacterium leprae | Probable fructose bisphosphate aldolase Fba | 0.0308 | 0.3255 | 0.5746 |
Mycobacterium leprae | PROBABLE ACETOLACTATE SYNTHASE (LARGE SUBUNIT) ILVB (ACETOHYDROXY-ACID SYNTHASE) | 0.0474 | 0.5253 | 1 |
Schistosoma mansoni | hypothetical protein | 0.0205 | 0.2007 | 0.2094 |
Loa Loa (eye worm) | thiamine pyrophosphate enzyme | 0.0272 | 0.2815 | 0.9385 |
Trichomonas vaginalis | fructose-bisphosphate aldolase, putative | 0.0631 | 0.7144 | 1 |
Trichomonas vaginalis | pyruvate-flavodoxin oxidoreductase, putative | 0.0069 | 0.0372 | 0.013 |
Leishmania major | putative pyruvate/indole-pyruvate carboxylase, putative | 0.0271 | 0.281 | 1 |
Loa Loa (eye worm) | ILVBL protein | 0.0287 | 0.3 | 1 |
Brugia malayi | MAP kinase sur-1 | 0.0062 | 0.0283 | 0.0538 |
Trichomonas vaginalis | pyruvate-flavodoxin oxidoreductase, putative | 0.0069 | 0.0372 | 0.013 |
Echinococcus granulosus | geminin | 0.0205 | 0.2007 | 0.2094 |
Schistosoma mansoni | cellular tumor antigen P53 | 0.006 | 0.0261 | 0.0272 |
Echinococcus multilocularis | microtubule associated protein 2 | 0.0833 | 0.9584 | 0.9584 |
Echinococcus granulosus | tumor protein p63 | 0.0408 | 0.4459 | 0.4652 |
Loa Loa (eye worm) | hypothetical protein | 0.0286 | 0.2983 | 0.9943 |
Plasmodium vivax | acyl-CoA synthetase, putative | 0.0271 | 0.281 | 0.5 |
Loa Loa (eye worm) | CMGC/MAPK/ERK1 protein kinase | 0.0062 | 0.0283 | 0.0943 |
Mycobacterium tuberculosis | Probable acetolactate synthase IlvG (acetohydroxy-acid synthase)(ALS) | 0.0474 | 0.5253 | 1 |
Trypanosoma brucei | phosphonopyruvate decarboxylase-like protein, putative | 0.0153 | 0.1387 | 1 |
Onchocerca volvulus | 0.0058 | 0.0243 | 0.9317 | |
Mycobacterium ulcerans | fructose-bisphosphate aldolase | 0.0308 | 0.3255 | 0.5907 |
Trichomonas vaginalis | fructose-bisphosphate aldolase, putative | 0.0631 | 0.7144 | 1 |
Schistosoma mansoni | survival motor neuron protein | 0.0058 | 0.0243 | 0.0254 |
Mycobacterium leprae | Probable Acetolactate synthase IlvG (Acetohydroxy-acid synthase)(ALS) | 0.0474 | 0.5253 | 1 |
Echinococcus multilocularis | tumor protein p63 | 0.0408 | 0.4459 | 0.4459 |
Entamoeba histolytica | fructose-1,6-bisphosphate aldolase, putative | 0.0631 | 0.7144 | 1 |
Trypanosoma brucei | phosphonopyruvate decarboxylase-like protein, putative | 0.0153 | 0.1387 | 1 |
Mycobacterium ulcerans | acetolactate synthase 1 catalytic subunit | 0.0474 | 0.5253 | 1 |
Mycobacterium ulcerans | hypothetical protein | 0.0153 | 0.1387 | 0.208 |
Brugia malayi | hypothetical protein | 0.0286 | 0.2983 | 0.5678 |
Echinococcus multilocularis | Basic leucine zipper (bZIP) transcription | 0.0043 | 0.0065 | 0.0065 |
Echinococcus granulosus | mitogen activated protein kinase 3 | 0.0062 | 0.0283 | 0.0295 |
Brugia malayi | MH2 domain containing protein | 0.0144 | 0.1279 | 0.2434 |
Trypanosoma cruzi | phosphonopyruvate decarboxylase, putative | 0.0153 | 0.1387 | 1 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
Potency (functional) | = 0.2512 um | PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 1.8526 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 (binding) | = 2.5119 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) | = 10 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 12.5893 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] | ChEMBL. | No reference |
Potency (functional) | 12.5893 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) | = 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: 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) | = 15.8489 um | PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Permissive Temperature. (Class of assay: confirmatory) [Related pubchem assays: 902 ] | ChEMBL. | No reference |
Potency (functional) | 15.8489 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) | = 19.9526 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 22.3872 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] | ChEMBL. | No reference |
Potency (functional) | 22.3872 uM | PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | = 25.1189 um | PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | = 25.1189 um | PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | = 28.1838 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 28.1838 uM | PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 29.0929 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) | = 31.6228 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (binding) | = 31.6228 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) | 56.2341 uM | PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) | ChEMBL. | No reference |
Species name | Source | Reference | Is orphan |
---|---|---|---|
Plasmodium falciparum | ChEMBL23 | ||
Homo sapiens | 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.