Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | nuclear factor, erythroid 2-like 2 | Starlite/ChEMBL | No references |
Homo sapiens | cytochrome P450, family 2, subfamily C, polypeptide 19 | Starlite/ChEMBL | No references |
Homo sapiens | cytochrome P450, family 3, subfamily A, polypeptide 4 | Starlite/ChEMBL | No references |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Brugia malayi | cytochrome P450 | cytochrome P450, family 3, subfamily A, polypeptide 4 | 502 aa | 492 aa | 24.2 % |
Leishmania major | cytochrome p450-like protein | cytochrome P450, family 2, subfamily C, polypeptide 19 | 490 aa | 411 aa | 23.1 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Brugia malayi | Cytochrome P450 family protein | 0.0019 | 0.0781 | 0.0962 |
Echinococcus granulosus | Basic leucine zipper bZIP transcription | 0.0043 | 0.7062 | 0.7062 |
Loa Loa (eye worm) | histone deacetylase | 0.0048 | 0.8119 | 1 |
Loa Loa (eye worm) | cytochrome P450 family protein | 0.0019 | 0.0781 | 0.0962 |
Mycobacterium ulcerans | cytochrome P450 185A4 Cyp185A4 | 0.0019 | 0.0781 | 0.5 |
Brugia malayi | Histone deacetylase family protein | 0.0048 | 0.8119 | 1 |
Echinococcus multilocularis | histone deacetylase | 0.0048 | 0.8119 | 0.8119 |
Plasmodium falciparum | histone deacetylase, putative | 0.0048 | 0.8119 | 0.5 |
Echinococcus multilocularis | histone deacetylase 7 | 0.0048 | 0.8119 | 0.8119 |
Brugia malayi | Histone deacetylase family protein | 0.0048 | 0.8119 | 1 |
Echinococcus multilocularis | histone deacetylase 6 | 0.0048 | 0.8119 | 0.8119 |
Echinococcus multilocularis | Basic leucine zipper (bZIP) transcription | 0.0043 | 0.7062 | 0.7062 |
Schistosoma mansoni | histone deacetylase 4 5 | 0.0048 | 0.8119 | 0.8119 |
Brugia malayi | Cytochrome P450 family protein | 0.0019 | 0.0781 | 0.0962 |
Echinococcus multilocularis | histone deacetylase 6 | 0.0055 | 1 | 1 |
Echinococcus granulosus | histone deacetylase 6 | 0.0048 | 0.8119 | 0.8119 |
Echinococcus granulosus | histone deacetylase | 0.0048 | 0.8119 | 0.8119 |
Echinococcus granulosus | histone deacetylase 7 | 0.0048 | 0.8119 | 0.8119 |
Echinococcus granulosus | histone deacetylase 6 | 0.0048 | 0.8119 | 0.8119 |
Schistosoma mansoni | histone deacetylase 4 5 | 0.0048 | 0.8119 | 0.8119 |
Entamoeba histolytica | hypothetical protein | 0.0043 | 0.7062 | 0.5 |
Loa Loa (eye worm) | cytochrome P450 family protein | 0.0032 | 0.4 | 0.4926 |
Leishmania major | histone deacetylase, putative | 0.0048 | 0.8119 | 1 |
Onchocerca volvulus | Bile acid receptor homolog | 0.0016 | 0 | 0.5 |
Entamoeba histolytica | hypothetical protein | 0.0043 | 0.7062 | 0.5 |
Trypanosoma brucei | histone deacetylase, putative | 0.0048 | 0.8119 | 1 |
Onchocerca volvulus | 0.0016 | 0 | 0.5 | |
Trypanosoma brucei | histone deacetylase 4 | 0.0048 | 0.8119 | 1 |
Echinococcus multilocularis | histone deacetylase 6 | 0.0048 | 0.8119 | 0.8119 |
Schistosoma mansoni | hypothetical protein | 0.0043 | 0.7062 | 0.7062 |
Trypanosoma brucei | histone deacetylase 3 | 0.0048 | 0.8119 | 1 |
Schistosoma mansoni | transcription factor LCR-F1 | 0.0043 | 0.7062 | 0.7062 |
Brugia malayi | hypothetical protein | 0.0043 | 0.7062 | 0.8699 |
Onchocerca volvulus | Steroid hormone receptor family member cnr14 homolog | 0.0016 | 0 | 0.5 |
Brugia malayi | Cytochrome P450 family protein | 0.0032 | 0.4 | 0.4926 |
Entamoeba histolytica | hypothetical protein | 0.0043 | 0.7062 | 0.5 |
Toxoplasma gondii | histone deacetylase HDAC1 | 0.0048 | 0.8119 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0033 | 0.4428 | 0.5454 |
Loa Loa (eye worm) | hypothetical protein | 0.0041 | 0.6309 | 0.7771 |
Loa Loa (eye worm) | cytochrome P450 family protein | 0.0019 | 0.0781 | 0.0962 |
Trypanosoma cruzi | histone deacetylase, putative | 0.0048 | 0.8119 | 1 |
Schistosoma mansoni | histone deacetylase hda2 | 0.0055 | 1 | 1 |
Loa Loa (eye worm) | histone deacetylase 7A | 0.0048 | 0.8119 | 1 |
Trypanosoma cruzi | histone deacetylase, putative | 0.0048 | 0.8119 | 1 |
Plasmodium vivax | histone deacetylase, putative | 0.0048 | 0.8119 | 0.5 |
Loa Loa (eye worm) | CYP4Cod1 | 0.0019 | 0.0781 | 0.0962 |
Plasmodium vivax | histone deacetylase 2, putative | 0.0048 | 0.8119 | 0.5 |
Leishmania major | histone deacetylase, putative | 0.0048 | 0.8119 | 1 |
Entamoeba histolytica | hypothetical protein | 0.0043 | 0.7062 | 0.5 |
Onchocerca volvulus | Protein ultraspiracle homolog | 0.0016 | 0 | 0.5 |
Trypanosoma cruzi | histone deacetylase, putative | 0.0048 | 0.8119 | 1 |
Plasmodium falciparum | histone deacetylase 2 | 0.0048 | 0.8119 | 0.5 |
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-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-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) | = 5.011872336 uM | 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) | = 15.84893192 uM | 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) | 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) | 100 uM | PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] | 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.