Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | hydroxyprostaglandin dehydrogenase 15-(NAD) | Starlite/ChEMBL | No references |
Homo sapiens | hydroxysteroid (17-beta) dehydrogenase 10 | 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 |
---|---|---|---|---|---|
Plasmodium falciparum | steroid dehydrogenase, putative | hydroxyprostaglandin dehydrogenase 15-(NAD) | 266 aa | 216 aa | 22.2 % |
Plasmodium falciparum | 3-oxoacyl-[acyl-carrier-protein] reductase | hydroxysteroid (17-beta) dehydrogenase 10 | 252 aa | 251 aa | 24.7 % |
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 |
---|---|---|---|---|
Schistosoma mansoni | 3-hydroxyacyl-CoA dehydrogenase | 0.0074 | 0.0382 | 0.0026 |
Toxoplasma gondii | aldehyde dehydrogenase | 0.0073 | 0.0357 | 0.5 |
Mycobacterium ulcerans | short-chain type dehydrogenase/reductase | 0.0074 | 0.0382 | 1 |
Echinococcus multilocularis | choline O acetyltransferase | 0.0309 | 1 | 1 |
Loa Loa (eye worm) | choline O-acetyltransferase | 0.0309 | 1 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0309 | 1 | 1 |
Schistosoma mansoni | choline o-acyltransferase | 0.0309 | 1 | 1 |
Mycobacterium ulcerans | short-chain type dehydrogenase/reductase | 0.0074 | 0.0382 | 1 |
Brugia malayi | Choline O-acetyltransferase | 0.0309 | 1 | 1 |
Echinococcus multilocularis | 3 hydroxyacyl coenzyme A dehydrogenase type 2 | 0.0074 | 0.0382 | 0.0026 |
Echinococcus granulosus | 3 hydroxyacyl coenzyme A dehydrogenase type 2 | 0.0074 | 0.0382 | 0.0026 |
Echinococcus granulosus | choline O acetyltransferase | 0.0309 | 1 | 1 |
Leishmania major | 3-oxoacyl-(acyl-carrier protein) reductase, putative | 0.0074 | 0.0382 | 1 |
Mycobacterium tuberculosis | Probable short-chain type dehydrogenase/reductase | 0.0074 | 0.0382 | 1 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
IC50 (binding) | = 100 uM | Inhibition of nucleocytoplasmic OGT (unknown origin) | ChEMBL. | No reference |
Potency (functional) | = 12.5893 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | = 17.7828 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 Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] | ChEMBL. | No reference |
Potency (functional) | = 25.1189 um | PUBCHEM_BIOASSAY: qHTS Assay for Allosteric/Competitive Inhibitors of Caspase-7. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | = 39.8107 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | = 39.8107 um | PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | = 39.8107 um | PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) | 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.