Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Electrophorus electricus | Acetylcholinesterase | Starlite/ChEMBL | References |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Schistosoma mansoni | family S9 non-peptidase homologue (S09 family) | Acetylcholinesterase | 633 aa | 622 aa | 24.9 % |
Onchocerca volvulus | Acetylcholinesterase | 633 aa | 648 aa | 25.3 % | |
Loa Loa (eye worm) | hypothetical protein | Acetylcholinesterase | 633 aa | 597 aa | 25.1 % |
Loa Loa (eye worm) | hypothetical protein | Acetylcholinesterase | 633 aa | 576 aa | 23.4 % |
Brugia malayi | Carboxylesterase family protein | Acetylcholinesterase | 633 aa | 620 aa | 28.4 % |
Echinococcus multilocularis | BC026374 protein (S09 family) | Acetylcholinesterase | 633 aa | 690 aa | 32.3 % |
Onchocerca volvulus | Molybdopterin synthase catalytic subunit homolog | Acetylcholinesterase | 633 aa | 576 aa | 28.8 % |
Brugia malayi | Carboxylesterase family protein | Acetylcholinesterase | 633 aa | 517 aa | 25.1 % |
Echinococcus granulosus | BC026374 protein S09 family | Acetylcholinesterase | 633 aa | 690 aa | 31.7 % |
Echinococcus multilocularis | neuroligin | Acetylcholinesterase | 633 aa | 507 aa | 23.9 % |
Drosophila melanogaster | CG10175 gene product from transcript CG10175-RE | Acetylcholinesterase | 633 aa | 549 aa | 30.4 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Schistosoma mansoni | family S9 non-peptidase homologue (S09 family) | 0.0082 | 0.5 | 0.5 |
Echinococcus multilocularis | carboxylesterase 5A | 0.0082 | 0.5 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0082 | 0.5 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0082 | 0.5 | 0.5 |
Echinococcus granulosus | acetylcholinesterase | 0.0082 | 0.5 | 0.5 |
Echinococcus granulosus | acetylcholinesterase | 0.0082 | 0.5 | 0.5 |
Loa Loa (eye worm) | carboxylesterase | 0.0082 | 0.5 | 0.5 |
Echinococcus granulosus | carboxylesterase 5A | 0.0082 | 0.5 | 0.5 |
Echinococcus multilocularis | acetylcholinesterase | 0.0082 | 0.5 | 0.5 |
Brugia malayi | Carboxylesterase family protein | 0.0082 | 0.5 | 0.5 |
Echinococcus multilocularis | acetylcholinesterase | 0.0082 | 0.5 | 0.5 |
Loa Loa (eye worm) | acetylcholinesterase 1 | 0.0082 | 0.5 | 0.5 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
Activity (ADMET) | = 61.5 % | Hepatotoxicity against human HepG2 cells assessed as cell viability at 300 uM after 24 hrs by MTT assay relative to control | ChEMBL. | 24502897 |
IC50 (binding) | = 0.007 uM | Inhibition of electric eel AchE using acetylcholine as substrate preincubated for 15 mins followed by substrate addition measured for 5 mins by Ellman method | ChEMBL. | 24502897 |
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.