Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | ubiquitin specific peptidase 1 | 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 |
Homo sapiens | peptidylprolyl cis/trans isomerase, NIMA-interacting 1 | Starlite/ChEMBL | No references |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Leishmania major | peptidyl-prolyl cis-trans isomerase, putative | peptidylprolyl cis/trans isomerase, NIMA-interacting 1 | 163 aa | 133 aa | 27.8 % |
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 |
---|---|---|---|---|
Mycobacterium ulcerans | aldehyde dehydrogenase | 0.0073 | 1 | 0.5 |
Trichomonas vaginalis | conserved hypothetical protein | 0.004 | 0.4597 | 1 |
Schistosoma mansoni | transcription factor LCR-F1 | 0.0043 | 0.5107 | 0.0943 |
Trypanosoma brucei | peptidyl-prolyl cis-trans isomerase/rotamase, putative | 0.0039 | 0.4442 | 1 |
Trichomonas vaginalis | rotamase, putative | 0.004 | 0.4597 | 1 |
Brugia malayi | hypothetical protein | 0.0043 | 0.5107 | 1 |
Trypanosoma cruzi | peptidyl-prolyl cis-trans isomerase | 0.0039 | 0.4442 | 1 |
Mycobacterium ulcerans | aldehyde dehydrogenase | 0.0073 | 1 | 0.5 |
Leishmania major | aldehyde dehydrogenase, mitochondrial precursor | 0.0073 | 1 | 1 |
Echinococcus multilocularis | aldehyde dehydrogenase, mitochondrial | 0.0073 | 1 | 1 |
Mycobacterium ulcerans | aldehyde dehydrogenase | 0.0073 | 1 | 0.5 |
Schistosoma mansoni | hypothetical protein | 0.0043 | 0.5107 | 0.0943 |
Schistosoma mansoni | aldehyde dehydrogenase | 0.0073 | 1 | 1 |
Mycobacterium tuberculosis | Probable aldehyde dehydrogenase | 0.0073 | 1 | 0.5 |
Loa Loa (eye worm) | Pin1-type peptidyl-prolyl cis-trans isomerase | 0.004 | 0.4597 | 0.5 |
Toxoplasma gondii | aldehyde dehydrogenase | 0.0073 | 1 | 1 |
Wolbachia endosymbiont of Brugia malayi | parvulin-like peptidyl-prolyl isomerase, PPID | 0.0012 | 0 | 0.5 |
Echinococcus multilocularis | Basic leucine zipper (bZIP) transcription | 0.0043 | 0.5107 | 0.0943 |
Entamoeba histolytica | hypothetical protein | 0.0043 | 0.5107 | 1 |
Trypanosoma cruzi | peptidyl-prolyl cis-trans isomerase | 0.0039 | 0.4442 | 1 |
Echinococcus granulosus | Basic leucine zipper bZIP transcription | 0.0043 | 0.5107 | 0.0943 |
Toxoplasma gondii | peptidylprolyl isomerase | 0.0039 | 0.4442 | 0.4442 |
Entamoeba histolytica | hypothetical protein | 0.0043 | 0.5107 | 1 |
Entamoeba histolytica | hypothetical protein | 0.0043 | 0.5107 | 1 |
Schistosoma mansoni | aldehyde dehydrogenase | 0.0073 | 1 | 1 |
Entamoeba histolytica | hypothetical protein | 0.0043 | 0.5107 | 1 |
Leishmania major | peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative | 0.0039 | 0.4442 | 0.4442 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
Potency (functional) | 0.1836 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) | = 2.5119 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) | 7.0795 uM | PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 8.4921 uM | PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | = 22.3872 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (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) | 37.933 uM | PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] | 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: Inhibitors of TCP-1 ring complex (TRiC) of Methanococcus maripaludis (MmCpn): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488991] | 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.