Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Bacillus anthracis | Anthrax lethal factor | 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 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Schistosoma mansoni | dihydroceramide desaturase | 0.0277 | 0.314 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0184 | 0.0821 | 0.1527 |
Brugia malayi | Matrixin family protein | 0.0367 | 0.5379 | 1 |
Loa Loa (eye worm) | matrixin family protein | 0.0336 | 0.4621 | 0.859 |
Onchocerca volvulus | Matrix metalloproteinase homolog | 0.0336 | 0.4621 | 1 |
Mycobacterium ulcerans | hydrolase | 0.0185 | 0.0827 | 0.5 |
Mycobacterium leprae | PROBABLE HYDROLASE | 0.0185 | 0.0827 | 0.5 |
Echinococcus granulosus | disintegrin and metalloproteinase | 0.0277 | 0.314 | 0.2526 |
Brugia malayi | Hemopexin family protein | 0.0215 | 0.1585 | 0.2947 |
Brugia malayi | Disintegrin family protein | 0.0277 | 0.314 | 0.5837 |
Brugia malayi | Matrix metalloprotease, N-terminal domain containing protein | 0.0185 | 0.0827 | 0.1537 |
Onchocerca volvulus | 0.0215 | 0.1585 | 0.3431 | |
Loa Loa (eye worm) | disintegrin family protein | 0.0202 | 0.1252 | 0.2327 |
Mycobacterium tuberculosis | Probable peptidoglycan hydrolase | 0.0185 | 0.0827 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0185 | 0.0827 | 0.1537 |
Onchocerca volvulus | Matrilysin homolog | 0.0336 | 0.4621 | 1 |
Echinococcus multilocularis | disintegrin and metalloproteinase | 0.0277 | 0.314 | 0.2526 |
Loa Loa (eye worm) | matrixin family protein | 0.0367 | 0.5379 | 1 |
Schistosoma mansoni | matrix metallopeptidase-9 (M10 family) | 0.0184 | 0.0809 | 0.2575 |
Schistosoma mansoni | hypothetical protein | 0.0215 | 0.1585 | 0.5049 |
Echinococcus multilocularis | matrix metallopeptidase 7 (M10 family) | 0.0551 | 1 | 1 |
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-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) | = 3.981071706 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 (functional) | = 5.0119 um | PUBCHEM_BIOASSAY: qHTS Assay for Anthrax Lethal Toxin Internalization. (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.