Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | APEX nuclease (multifunctional DNA repair enzyme) 1 | Starlite/ChEMBL | No references |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Leishmania major | dihydrofolate reductase-thymidylate synthase | 0.2148 | 0.5331 | 1 |
Onchocerca volvulus | 0.069 | 0.1242 | 0.6997 | |
Toxoplasma gondii | bifunctional dihydrofolate reductase-thymidylate synthase | 0.2148 | 0.5331 | 1 |
Echinococcus granulosus | hexokinase | 0.0777 | 0.1486 | 0.0278 |
Trypanosoma cruzi | hexokinase, putative | 0.0777 | 0.1486 | 0.2466 |
Brugia malayi | Hexokinase family protein | 0.0777 | 0.1486 | 0.1486 |
Echinococcus multilocularis | hexokinase type 2 | 0.0777 | 0.1486 | 0.0278 |
Treponema pallidum | hexokinase (hxk) | 0.0777 | 0.1486 | 0.5 |
Plasmodium vivax | bifunctional dihydrofolate reductase-thymidylate synthase, putative | 0.2148 | 0.5331 | 1 |
Echinococcus multilocularis | hexokinase | 0.0777 | 0.1486 | 0.0278 |
Loa Loa (eye worm) | hexokinase | 0.0487 | 0.0674 | 0.0674 |
Onchocerca volvulus | 0.0777 | 0.1486 | 1 | |
Loa Loa (eye worm) | hexokinase | 0.0777 | 0.1486 | 0.1486 |
Schistosoma mansoni | hexokinase | 0.0777 | 0.1486 | 0.0278 |
Loa Loa (eye worm) | hypothetical protein | 0.053 | 0.0793 | 0.0793 |
Echinococcus granulosus | hexokinase type 2 | 0.0777 | 0.1486 | 0.0278 |
Onchocerca volvulus | 0.0777 | 0.1486 | 1 | |
Echinococcus granulosus | hexokinase | 0.0777 | 0.1486 | 0.0278 |
Trichomonas vaginalis | conserved hypothetical protein | 0.0328 | 0.0228 | 0.5 |
Onchocerca volvulus | 0.0777 | 0.1486 | 1 | |
Trypanosoma cruzi | dihydrofolate reductase-thymidylate synthase | 0.2148 | 0.5331 | 1 |
Loa Loa (eye worm) | hexokinase type II | 0.0777 | 0.1486 | 0.1486 |
Trypanosoma cruzi | hexokinase, putative | 0.0777 | 0.1486 | 0.2466 |
Brugia malayi | thymidylate synthase | 0.069 | 0.1242 | 0.1242 |
Brugia malayi | hexokinase | 0.0777 | 0.1486 | 0.1486 |
Plasmodium falciparum | bifunctional dihydrofolate reductase-thymidylate synthase | 0.2148 | 0.5331 | 1 |
Trypanosoma brucei | dihydrofolate reductase-thymidylate synthase | 0.2148 | 0.5331 | 1 |
Loa Loa (eye worm) | thymidylate synthase | 0.069 | 0.1242 | 0.1242 |
Loa Loa (eye worm) | hexokinase | 0.0777 | 0.1486 | 0.1486 |
Echinococcus multilocularis | hexokinase | 0.0777 | 0.1486 | 0.0278 |
Entamoeba histolytica | hexokinase 2 | 0.0777 | 0.1486 | 0.5 |
Entamoeba histolytica | hexokinase 1 | 0.0777 | 0.1486 | 0.5 |
Echinococcus granulosus | hexokinase | 0.0777 | 0.1486 | 0.0278 |
Mycobacterium tuberculosis | Probable thymidylate synthase ThyA (ts) (TSASE) | 0.069 | 0.1242 | 0.1038 |
Echinococcus multilocularis | hexokinase | 0.0777 | 0.1486 | 0.0278 |
Brugia malayi | Hexokinase family protein | 0.0487 | 0.0674 | 0.0674 |
Brugia malayi | hypothetical protein | 0.0328 | 0.0228 | 0.0228 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
AC50 (functional) | PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active | ChEMBL. | No reference | |
AC50 (functional) | PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active | ChEMBL. | No reference | |
AC50 (functional) | PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active | ChEMBL. | No reference | |
AC50 (functional) | PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active | ChEMBL. | No reference | |
AC50 (functional) | PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active | ChEMBL. | No reference | |
Potency (functional) | 3.9811 uM | PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (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.