Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Influenza A virus | Nonstructural protein 1 | Starlite/ChEMBL | No references |
Homo sapiens | survival of motor neuron 2, centromeric | Starlite/ChEMBL | No references |
Homo sapiens | tumor protein p53 | Starlite/ChEMBL | No references |
Homo sapiens | nuclear factor, erythroid 2-like 2 | Starlite/ChEMBL | No references |
Homo sapiens | SMAD family member 2 | Starlite/ChEMBL | No references |
Homo sapiens | geminin, DNA replication inhibitor | Starlite/ChEMBL | No references |
Homo sapiens | microtubule-associated protein tau | Starlite/ChEMBL | No references |
Homo sapiens | mitogen-activated protein kinase 1 | Starlite/ChEMBL | No references |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Brugia malayi | MH2 domain containing protein | SMAD family member 2 | 467 aa | 405 aa | 31.6 % |
Mycobacterium tuberculosis | Hypothetical protein | Nonstructural protein 1 | 230 aa | 202 aa | 23.8 % |
Trypanosoma brucei | mitogen-activated protein kinase 5 | mitogen-activated protein kinase 1 | 360 aa | 361 aa | 33.2 % |
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 | transcription factor LCR-F1 | 0.0043 | 0.0065 | 0.0068 |
Onchocerca volvulus | 0.0058 | 0.0243 | 0.9317 | |
Mycobacterium tuberculosis | Probable fructose-bisphosphate aldolase Fba | 0.0308 | 0.3255 | 0.5907 |
Echinococcus multilocularis | geminin | 0.0205 | 0.2007 | 0.2007 |
Mycobacterium ulcerans | acetolactate synthase 1 catalytic subunit | 0.0474 | 0.5253 | 1 |
Schistosoma mansoni | acetolactate synthase | 0.0405 | 0.4422 | 0.4614 |
Mycobacterium leprae | Probable fructose bisphosphate aldolase Fba | 0.0308 | 0.3255 | 0.5746 |
Echinococcus granulosus | mitogen activated protein kinase 3 | 0.0062 | 0.0283 | 0.0295 |
Mycobacterium ulcerans | hypothetical protein | 0.0474 | 0.5253 | 1 |
Brugia malayi | MAP kinase sur-1 | 0.0062 | 0.0283 | 0.0538 |
Echinococcus granulosus | mitogen activated protein kinase | 0.0062 | 0.0283 | 0.0295 |
Schistosoma mansoni | microtubule-associated protein tau | 0.0833 | 0.9584 | 1 |
Echinococcus granulosus | Basic leucine zipper bZIP transcription | 0.0043 | 0.0065 | 0.0068 |
Trypanosoma brucei | phosphonopyruvate decarboxylase-like protein, putative | 0.0153 | 0.1387 | 1 |
Mycobacterium tuberculosis | Acetolactate synthase (large subunit) IlvB1 (acetohydroxy-acid synthase) | 0.0203 | 0.1985 | 0.3304 |
Trypanosoma brucei | phosphonopyruvate decarboxylase-like protein, putative | 0.0153 | 0.1387 | 1 |
Brugia malayi | MH2 domain containing protein | 0.0144 | 0.1279 | 0.2434 |
Trichomonas vaginalis | pyruvate-flavodoxin oxidoreductase, putative | 0.0069 | 0.0372 | 0.013 |
Loa Loa (eye worm) | hypothetical protein | 0.0286 | 0.2983 | 0.9943 |
Mycobacterium ulcerans | putative oxalyl-CoA decarboxylase | 0.0474 | 0.5253 | 1 |
Brugia malayi | Iron-sulfur cluster assembly accessory protein | 0.0058 | 0.0243 | 0.0463 |
Mycobacterium ulcerans | pyruvate or indole-3-pyruvate decarboxylase Pdc | 0.0271 | 0.281 | 0.4994 |
Trypanosoma cruzi | phosphonopyruvate decarboxylase, putative | 0.0153 | 0.1387 | 1 |
Entamoeba histolytica | fructose-1,6-bisphosphate aldolase, putative | 0.0631 | 0.7144 | 1 |
Trichomonas vaginalis | pyruvate-flavodoxin oxidoreductase, putative | 0.0069 | 0.0372 | 0.013 |
Echinococcus multilocularis | survival motor neuron protein 1 | 0.0286 | 0.2983 | 0.2983 |
Mycobacterium leprae | PROBABLE ACETOLACTATE SYNTHASE (LARGE SUBUNIT) ILVB (ACETOHYDROXY-ACID SYNTHASE) | 0.0474 | 0.5253 | 1 |
Leishmania major | phosphonopyruvate decarboxylase-like protein | 0.0153 | 0.1387 | 0.4371 |
Mycobacterium ulcerans | fructose-bisphosphate aldolase | 0.0308 | 0.3255 | 0.5907 |
Trichomonas vaginalis | fructose-bisphosphate aldolase, putative | 0.0631 | 0.7144 | 1 |
Brugia malayi | hypothetical protein | 0.0043 | 0.0065 | 0.0123 |
Mycobacterium tuberculosis | Probable acetolactate synthase IlvG (acetohydroxy-acid synthase)(ALS) | 0.0474 | 0.5253 | 1 |
Brugia malayi | hypothetical protein | 0.0286 | 0.2983 | 0.5678 |
Trichomonas vaginalis | pyruvate-flavodoxin oxidoreductase, putative | 0.0069 | 0.0372 | 0.013 |
Mycobacterium ulcerans | hypothetical protein | 0.0153 | 0.1387 | 0.208 |
Trichomonas vaginalis | fructose-bisphosphate aldolase, putative | 0.0631 | 0.7144 | 1 |
Entamoeba histolytica | pyruvate:ferredoxin oxidoreductase | 0.0069 | 0.0372 | 0.0434 |
Trichomonas vaginalis | fructose-bisphosphate aldolase, putative | 0.0631 | 0.7144 | 1 |
Schistosoma mansoni | survival motor neuron protein | 0.0058 | 0.0243 | 0.0254 |
Echinococcus multilocularis | tumor protein p63 | 0.0408 | 0.4459 | 0.4459 |
Trichomonas vaginalis | fructose-bisphosphate aldolase, putative | 0.0631 | 0.7144 | 1 |
Echinococcus granulosus | survival motor neuron protein 1 | 0.0286 | 0.2983 | 0.3112 |
Loa Loa (eye worm) | MH2 domain-containing protein | 0.0144 | 0.1279 | 0.4262 |
Trichomonas vaginalis | fructose-bisphosphate aldolase, putative | 0.0631 | 0.7144 | 1 |
Trichomonas vaginalis | fructose-bisphosphate aldolase, putative | 0.0631 | 0.7144 | 1 |
Schistosoma mansoni | hypothetical protein | 0.0043 | 0.0065 | 0.0068 |
Loa Loa (eye worm) | hypothetical protein | 0.006 | 0.0261 | 0.087 |
Trichomonas vaginalis | fructose-bisphosphate aldolase, putative | 0.0631 | 0.7144 | 1 |
Brugia malayi | Thiamine pyrophosphate enzyme, central domain containing protein | 0.0474 | 0.5253 | 1 |
Loa Loa (eye worm) | ILVBL protein | 0.0287 | 0.3 | 1 |
Loa Loa (eye worm) | transcription factor SMAD2 | 0.0144 | 0.1279 | 0.4262 |
Schistosoma mansoni | hypothetical protein | 0.0058 | 0.0243 | 0.0254 |
Entamoeba histolytica | fructose-1,6-bisphosphate aldolase, putative | 0.0631 | 0.7144 | 1 |
Mycobacterium tuberculosis | Probable oxalyl-CoA decarboxylase OxcA | 0.0474 | 0.5253 | 1 |
Plasmodium falciparum | acyl-CoA synthetase | 0.0271 | 0.281 | 0.5 |
Schistosoma mansoni | cellular tumor antigen P53 | 0.006 | 0.0261 | 0.0272 |
Schistosoma mansoni | serine/threonine protein kinase | 0.0062 | 0.0283 | 0.0295 |
Plasmodium vivax | acyl-CoA synthetase, putative | 0.0271 | 0.281 | 0.5 |
Echinococcus granulosus | geminin | 0.0205 | 0.2007 | 0.2094 |
Loa Loa (eye worm) | thiamine pyrophosphate enzyme | 0.0272 | 0.2815 | 0.9385 |
Mycobacterium ulcerans | acetolactate synthase | 0.0271 | 0.281 | 0.4994 |
Trichomonas vaginalis | fructose-bisphosphate aldolase, putative | 0.0631 | 0.7144 | 1 |
Schistosoma mansoni | hypothetical protein | 0.0205 | 0.2007 | 0.2094 |
Echinococcus multilocularis | mitogen activated protein kinase 3 | 0.0062 | 0.0283 | 0.0283 |
Treponema pallidum | fructose-bisphosphate aldolase | 0.0631 | 0.7144 | 1 |
Trichomonas vaginalis | pyruvate-flavodoxin oxidoreductase, putative | 0.0069 | 0.0372 | 0.013 |
Giardia lamblia | Fructose-bisphosphate aldolase | 0.0631 | 0.7144 | 1 |
Trypanosoma cruzi | phosphonopyruvate decarboxylase, putative | 0.0153 | 0.1387 | 1 |
Echinococcus multilocularis | Basic leucine zipper (bZIP) transcription | 0.0043 | 0.0065 | 0.0065 |
Echinococcus multilocularis | microtubule associated protein 2 | 0.0833 | 0.9584 | 0.9584 |
Echinococcus granulosus | tumor protein p63 | 0.0408 | 0.4459 | 0.4652 |
Mycobacterium ulcerans | 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase | 0.0084 | 0.0557 | 0.0378 |
Echinococcus multilocularis | mitogen activated protein kinase | 0.0062 | 0.0283 | 0.0283 |
Toxoplasma gondii | CMGC kinase, MAPK family (ERK) MAPK-1 | 0.0062 | 0.0283 | 0.5 |
Echinococcus granulosus | microtubule associated protein 2 | 0.0833 | 0.9584 | 1 |
Mycobacterium ulcerans | acetolactate synthase large subunit IlvB | 0.0271 | 0.281 | 0.4994 |
Giardia lamblia | Pyruvate-flavodoxin oxidoreductase | 0.0069 | 0.0372 | 0.013 |
Schistosoma mansoni | hypothetical protein | 0.0205 | 0.2007 | 0.2094 |
Onchocerca volvulus | 0.006 | 0.0261 | 1 | |
Loa Loa (eye worm) | CMGC/MAPK/ERK1 protein kinase | 0.0062 | 0.0283 | 0.0943 |
Trichomonas vaginalis | pyruvate-flavodoxin oxidoreductase, putative | 0.0069 | 0.0372 | 0.013 |
Schistosoma mansoni | acetolactate synthase | 0.0405 | 0.4422 | 0.4614 |
Mycobacterium leprae | Probable Acetolactate synthase IlvG (Acetohydroxy-acid synthase)(ALS) | 0.0474 | 0.5253 | 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 |
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.