Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | lamin A/C | Starlite/ChEMBL | No references |
Homo sapiens | cytochrome P450, family 1, subfamily A, polypeptide 2 | Starlite/ChEMBL | No references |
Homo sapiens | cytochrome P450, family 2, subfamily C, polypeptide 9 | Starlite/ChEMBL | No references |
Homo sapiens | cytochrome P450, family 2, subfamily C, polypeptide 19 | Starlite/ChEMBL | No references |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Brugia malayi | Cytochrome P450 family protein | cytochrome P450, family 1, subfamily A, polypeptide 2 | 516 aa | 470 aa | 26.2 % |
Mycobacterium tuberculosis | Probable cytochrome P450 136 Cyp136 | cytochrome P450, family 2, subfamily C, polypeptide 9 | 490 aa | 441 aa | 21.8 % |
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 |
---|---|---|---|---|
Loa Loa (eye worm) | hypothetical protein | 0.0033 | 0.0243 | 0.0219 |
Trypanosoma cruzi | PAB1-binding protein , putative | 0.0024 | 0.0125 | 0.5 |
Loa Loa (eye worm) | cytochrome P450 family protein | 0.0059 | 0.0623 | 0.0599 |
Schistosoma mansoni | hormone-sensitive lipase (S09 family) | 0.0709 | 1 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0024 | 0.0125 | 0.01 |
Loa Loa (eye worm) | hypothetical protein | 0.0709 | 1 | 1 |
Schistosoma mansoni | hormone-sensitive lipase (S09 family) | 0.0709 | 1 | 1 |
Schistosoma mansoni | hypothetical protein | 0.0033 | 0.0248 | 0.0006 |
Brugia malayi | Cytochrome P450 family protein | 0.0059 | 0.0623 | 1 |
Brugia malayi | intermediate filament protein | 0.0033 | 0.0243 | 0.3898 |
Leishmania major | hypothetical protein, conserved | 0.0024 | 0.0125 | 0.5 |
Brugia malayi | hypothetical protein | 0.0037 | 0.0312 | 0.5012 |
Brugia malayi | Calcitonin receptor-like protein seb-1 | 0.0048 | 0.0468 | 0.7525 |
Loa Loa (eye worm) | hypothetical protein | 0.0048 | 0.0468 | 0.0445 |
Onchocerca volvulus | 0.0033 | 0.0243 | 0.5 | |
Trypanosoma cruzi | PAB1-binding protein , putative | 0.0024 | 0.0125 | 0.5 |
Entamoeba histolytica | hypothetical protein | 0.0037 | 0.0312 | 0.5 |
Trypanosoma brucei | PAB1-binding protein , putative | 0.0024 | 0.0125 | 0.5 |
Plasmodium vivax | ataxin-2 like protein, putative | 0.0024 | 0.0125 | 0.5 |
Entamoeba histolytica | hypothetical protein | 0.0037 | 0.0312 | 0.5 |
Echinococcus multilocularis | Basic leucine zipper (bZIP) transcription | 0.0037 | 0.0312 | 0.0071 |
Brugia malayi | latrophilin 2 splice variant baaae | 0.0033 | 0.0248 | 0.399 |
Schistosoma mansoni | hypothetical protein | 0.0037 | 0.0312 | 0.0071 |
Loa Loa (eye worm) | intermediate filament tail domain-containing protein | 0.0033 | 0.0243 | 0.0219 |
Echinococcus granulosus | Basic leucine zipper bZIP transcription | 0.0037 | 0.0312 | 0.0071 |
Brugia malayi | Intermediate filament tail domain containing protein | 0.0033 | 0.0243 | 0.3898 |
Loa Loa (eye worm) | hypothetical protein | 0.0032 | 0.0234 | 0.021 |
Plasmodium falciparum | ataxin-2 like protein, putative | 0.0024 | 0.0125 | 0.5 |
Brugia malayi | hypothetical protein | 0.0024 | 0.0125 | 0.2002 |
Schistosoma mansoni | transcription factor LCR-F1 | 0.0037 | 0.0312 | 0.0071 |
Brugia malayi | Corticotropin releasing factor receptor 2 precursor, putative | 0.0048 | 0.0468 | 0.7525 |
Loa Loa (eye worm) | pigment dispersing factor receptor c | 0.0048 | 0.0468 | 0.0445 |
Toxoplasma gondii | LsmAD domain-containing protein | 0.0024 | 0.0125 | 0.5 |
Entamoeba histolytica | hypothetical protein | 0.0037 | 0.0312 | 0.5 |
Onchocerca volvulus | 0.0033 | 0.0243 | 0.5 | |
Schistosoma mansoni | hormone-sensitive lipase (S09 family) | 0.0709 | 1 | 1 |
Echinococcus multilocularis | hormone sensitive lipase | 0.0709 | 1 | 1 |
Entamoeba histolytica | hypothetical protein | 0.0037 | 0.0312 | 0.5 |
Plasmodium falciparum | ataxin-2 like protein, putative | 0.0024 | 0.0125 | 0.5 |
Brugia malayi | cytoplasmic intermediate filament protein | 0.0017 | 0.0025 | 0.0395 |
Loa Loa (eye worm) | hypothetical protein | 0.0033 | 0.0248 | 0.0224 |
Loa Loa (eye worm) | intermediate filament protein | 0.0033 | 0.0243 | 0.0219 |
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-cyp3a4 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) | = 0.158489319 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) | = 12.58925412 uM | 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) | = 15.84893192 uM | 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 |
Potency (ADMET) | = 0.1585 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2C19. (Class of assay: confirmatory) [Related pubchem assays: 410 ] | ChEMBL. | No reference |
Potency (functional) | = 10 um | PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (ADMET) | = 15.8489 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2C9. (Class of assay: confirmatory) [Related pubchem assays: 885, 884, 410 ] | 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.