Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | nuclear factor, erythroid 2-like 2 | Starlite/ChEMBL | No references |
Homo sapiens | SMAD family member 2 | Starlite/ChEMBL | No references |
Homo sapiens | aldehyde dehydrogenase 1 family, member A1 | 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 | Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 | aldehyde dehydrogenase 1 family, member A1 | 501 aa | 456 aa | 33.3 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Leishmania major | aldehyde dehydrogenase, mitochondrial precursor | 0.0073 | 0.4727 | 0.5 |
Entamoeba histolytica | hypothetical protein | 0.0043 | 0.2503 | 0.5 |
Echinococcus granulosus | Basic leucine zipper bZIP transcription | 0.0043 | 0.2503 | 0.5295 |
Entamoeba histolytica | hypothetical protein | 0.0043 | 0.2503 | 0.5 |
Mycobacterium ulcerans | aldehyde dehydrogenase | 0.0073 | 0.4727 | 0.5 |
Schistosoma mansoni | aldehyde dehydrogenase | 0.0073 | 0.4727 | 1 |
Mycobacterium ulcerans | aldehyde dehydrogenase | 0.0073 | 0.4727 | 0.5 |
Mycobacterium tuberculosis | Probable aldehyde dehydrogenase | 0.0073 | 0.4727 | 0.5 |
Mycobacterium ulcerans | aldehyde dehydrogenase | 0.0073 | 0.4727 | 0.5 |
Echinococcus multilocularis | aldehyde dehydrogenase, mitochondrial | 0.0073 | 0.4727 | 1 |
Brugia malayi | hypothetical protein | 0.0043 | 0.2503 | 0.2503 |
Echinococcus granulosus | aldehyde dehydrogenase mitochondrial | 0.0073 | 0.4727 | 1 |
Schistosoma mansoni | transcription factor LCR-F1 | 0.0043 | 0.2503 | 0.5295 |
Echinococcus multilocularis | Basic leucine zipper (bZIP) transcription | 0.0043 | 0.2503 | 0.5295 |
Schistosoma mansoni | aldehyde dehydrogenase | 0.0073 | 0.4727 | 1 |
Entamoeba histolytica | hypothetical protein | 0.0043 | 0.2503 | 0.5 |
Toxoplasma gondii | aldehyde dehydrogenase | 0.0073 | 0.4727 | 0.5 |
Entamoeba histolytica | hypothetical protein | 0.0043 | 0.2503 | 0.5 |
Schistosoma mansoni | hypothetical protein | 0.0043 | 0.2503 | 0.5295 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
Potency (functional) | 0.0073 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) | 6.5733 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) | = 10 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) | 17.7828 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) | = 28.1838 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 (binding) | = 50.1187 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) | 50.1187 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] | ChEMBL. | No reference |
Potency (functional) | 89.1251 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] | ChEMBL. | No reference |
Potency (functional) | 100 uM | PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) | ChEMBL. | No reference |
Species name | Source | Reference | Is orphan |
---|---|---|---|
Plasmodium falciparum | 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.