Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | ubiquitin specific peptidase 2 | Starlite/ChEMBL | No references |
Homo sapiens | cytochrome P450, family 3, subfamily A, polypeptide 4 | Starlite/ChEMBL | No references |
Homo sapiens | cytochrome P450, family 1, subfamily A, polypeptide 2 | 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 % |
Brugia malayi | cytochrome P450 | cytochrome P450, family 3, subfamily A, polypeptide 4 | 502 aa | 492 aa | 24.2 % |
Plasmodium falciparum | ubiquitin specific protease, putative | ubiquitin specific peptidase 2 | 362 aa | 378 aa | 25.7 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Brugia malayi | peptidase family M13 containing protein | 0.0079 | 0.033 | 0.1227 |
Loa Loa (eye worm) | peptidase family M13 containing protein | 0.0239 | 0.1877 | 0.6973 |
Mycobacterium ulcerans | zinc metalloprotease | 0.0324 | 0.2691 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0245 | 0.1931 | 0.7175 |
Loa Loa (eye worm) | hypothetical protein | 0.0239 | 0.1877 | 0.6973 |
Mycobacterium leprae | probable zinc metalloprotease | 0.0324 | 0.2691 | 0.5 |
Schistosoma mansoni | family M13 unassigned peptidase (M13 family) | 0.0324 | 0.2691 | 1 |
Schistosoma mansoni | family M13 unassigned peptidase (M13 family) | 0.0164 | 0.1145 | 0.4254 |
Brugia malayi | Hypothetical zinc metalloproteinase T16A9.4 | 0.0324 | 0.2691 | 1 |
Echinococcus granulosus | endothelin converting enzyme 1 | 0.0324 | 0.2691 | 0.2691 |
Schistosoma mansoni | family M13 unassigned peptidase (M13 family) | 0.0079 | 0.033 | 0.1227 |
Schistosoma mansoni | Nep2 peptidase (M13 family) | 0.0164 | 0.1145 | 0.4254 |
Loa Loa (eye worm) | zinc metallopeptidase 4 | 0.0079 | 0.033 | 0.1227 |
Loa Loa (eye worm) | hypothetical protein | 0.0245 | 0.1931 | 0.7175 |
Schistosoma mansoni | family M13 unassigned peptidase (M13 family) | 0.0079 | 0.033 | 0.1227 |
Schistosoma mansoni | hypothetical protein | 0.0085 | 0.0385 | 0.1429 |
Schistosoma mansoni | neprilysin-2 (M13 family) | 0.0164 | 0.1145 | 0.4254 |
Trichomonas vaginalis | Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase | 0.0045 | 0 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0245 | 0.1931 | 0.7175 |
Echinococcus multilocularis | tm gpcr rhodopsin gpcr rhodopsin superfamily | 0.1083 | 1 | 1 |
Mycobacterium tuberculosis | Possible exported protein | 0.0384 | 0.327 | 1 |
Echinococcus multilocularis | endothelin converting enzyme 1 | 0.0324 | 0.2691 | 0.2691 |
Loa Loa (eye worm) | hypothetical protein | 0.0239 | 0.1877 | 0.6973 |
Giardia lamblia | Ubiquitin carboxyl-terminal hydrolase 4 | 0.0045 | 0 | 0.5 |
Brugia malayi | Peptidase family M13 containing protein | 0.0324 | 0.2691 | 1 |
Trichomonas vaginalis | conserved hypothetical protein | 0.0045 | 0 | 0.5 |
Schistosoma mansoni | hypothetical protein | 0.0085 | 0.0385 | 0.1429 |
Trichomonas vaginalis | Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase | 0.0045 | 0 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0324 | 0.2691 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0245 | 0.1931 | 0.7175 |
Schistosoma mansoni | family M13 unassigned peptidase (M13 family) | 0.0085 | 0.0385 | 0.1429 |
Schistosoma mansoni | endothelin-converting enzyme-like 1 (damage-induced neuronal endopeptidase) | 0.0079 | 0.033 | 0.1227 |
Trypanosoma cruzi | ubiquitin carboxyl-terminal hydrolase, putative | 0.0045 | 0 | 0.5 |
Schistosoma mansoni | family M13 unassigned peptidase (M13 family) | 0.0079 | 0.033 | 0.1227 |
Loa Loa (eye worm) | hypothetical protein | 0.0324 | 0.2691 | 1 |
Trypanosoma brucei | ubiquitin carboxyl-terminal hydrolase, putative | 0.0045 | 0 | 0.5 |
Schistosoma mansoni | hypothetical protein | 0.0085 | 0.0385 | 0.1429 |
Schistosoma mansoni | hypothetical protein | 0.0085 | 0.0385 | 0.1429 |
Loa Loa (eye worm) | hypothetical protein | 0.0324 | 0.2691 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0239 | 0.1877 | 0.6973 |
Loa Loa (eye worm) | hypothetical protein | 0.0245 | 0.1931 | 0.7175 |
Onchocerca volvulus | 0.0161 | 0.1116 | 0.5 | |
Leishmania major | ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative | 0.0045 | 0 | 0.5 |
Schistosoma mansoni | family M13 unassigned peptidase (M13 family) | 0.0164 | 0.1145 | 0.4254 |
Loa Loa (eye worm) | hypothetical protein | 0.0245 | 0.1931 | 0.7175 |
Schistosoma mansoni | family M13 non-peptidase homologue (M13 family) | 0.0079 | 0.033 | 0.1227 |
Schistosoma mansoni | hypothetical protein | 0.0085 | 0.0385 | 0.1429 |
Loa Loa (eye worm) | peptidase family M13 containing protein | 0.0239 | 0.1877 | 0.6973 |
Trypanosoma cruzi | ubiquitin carboxyl-terminal hydrolase, putative | 0.0045 | 0 | 0.5 |
Toxoplasma gondii | peptidase family M13 protein | 0.0324 | 0.2691 | 0.5 |
Schistosoma mansoni | neprilysin | 0.0085 | 0.0385 | 0.1429 |
Loa Loa (eye worm) | hypothetical protein | 0.0161 | 0.1116 | 0.4148 |
Loa Loa (eye worm) | hypothetical protein | 0.0239 | 0.1877 | 0.6973 |
Schistosoma mansoni | family M13 non-peptidase homologue (M13 family) | 0.0164 | 0.1145 | 0.4254 |
Entamoeba histolytica | ubiquitin carboxyl-terminal hydrolase domain containing protein | 0.0045 | 0 | 0.5 |
Schistosoma mansoni | hypothetical protein | 0.0085 | 0.0385 | 0.1429 |
Schistosoma mansoni | endothelin-converting enzyme-related | 0.0079 | 0.033 | 0.1227 |
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-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-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) | = 12.58925412 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 |
AC50 (functional) | = 19.95262315 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 |
Potency (ADMET) | = 12.5893 um | PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] | ChEMBL. | No reference |
Potency (ADMET) | = 12.5893 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] | ChEMBL. | No reference |
Potency (functional) | = 15.8489 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | = 28.1838 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of CDC-like Kinase 4 (Kinase-Glo Assay). (Class of assay: confirmatory) [Related pubchem assays: 1379 ] | ChEMBL. | No reference |
Potency (functional) | = 31.6228 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of CDC-like Kinase 4 (ADP-Glo Assay). (Class of assay: confirmatory) [Related pubchem assays: 1379 ] | ChEMBL. | No reference |
Potency (functional) | = 35.4813 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of CDC-like Kinase 4 (ADP-FP Assay). (Class of assay: confirmatory) [Related pubchem assays: 1771, 1770 ] | 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.