Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | SMAD family member 2 | Starlite/ChEMBL | No references |
Homo sapiens | aldehyde dehydrogenase 1 family, member A1 | Starlite/ChEMBL | No references |
Homo sapiens | nuclear factor, erythroid 2-like 2 | 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 |
Mycobacterium ulcerans | aldehyde dehydrogenase | 0.0073 | 0.4727 | 0.5 |
Schistosoma mansoni | hypothetical protein | 0.0043 | 0.2503 | 0.5295 |
Brugia malayi | hypothetical protein | 0.0043 | 0.2503 | 0.2503 |
Echinococcus multilocularis | aldehyde dehydrogenase, mitochondrial | 0.0073 | 0.4727 | 1 |
Mycobacterium ulcerans | aldehyde dehydrogenase | 0.0073 | 0.4727 | 0.5 |
Echinococcus multilocularis | Basic leucine zipper (bZIP) transcription | 0.0043 | 0.2503 | 0.5295 |
Loa Loa (eye worm) | transcription factor SMAD2 | 0.0144 | 1 | 1 |
Entamoeba histolytica | hypothetical protein | 0.0043 | 0.2503 | 0.5 |
Echinococcus granulosus | aldehyde dehydrogenase mitochondrial | 0.0073 | 0.4727 | 1 |
Toxoplasma gondii | aldehyde dehydrogenase | 0.0073 | 0.4727 | 0.5 |
Mycobacterium ulcerans | aldehyde dehydrogenase | 0.0073 | 0.4727 | 0.5 |
Schistosoma mansoni | aldehyde dehydrogenase | 0.0073 | 0.4727 | 1 |
Entamoeba histolytica | hypothetical protein | 0.0043 | 0.2503 | 0.5 |
Entamoeba histolytica | hypothetical protein | 0.0043 | 0.2503 | 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 |
Loa Loa (eye worm) | MH2 domain-containing protein | 0.0144 | 1 | 1 |
Mycobacterium tuberculosis | Probable aldehyde dehydrogenase | 0.0073 | 0.4727 | 0.5 |
Schistosoma mansoni | aldehyde dehydrogenase | 0.0073 | 0.4727 | 1 |
Schistosoma mansoni | transcription factor LCR-F1 | 0.0043 | 0.2503 | 0.5295 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
Potency (functional) | = 12.5893 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) | 14.1254 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) | 16.3601 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) | 18.526 uM | PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] | ChEMBL. | No reference |
Potency (functional) | 18.526 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) | 23.1093 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) | 35.4813 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) | = 39.8107 um | PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] | ChEMBL. | No reference |
Potency (binding) | = 39.8107 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) | 56.2341 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] | ChEMBL. | No reference |
Potency (functional) | 89.1251 uM | PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] | 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.