Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Electrophorus electricus | Acetylcholinesterase | Starlite/ChEMBL | References |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Drosophila melanogaster | CG10175 gene product from transcript CG10175-RE | Acetylcholinesterase | 633 aa | 549 aa | 30.4 % |
Echinococcus granulosus | BC026374 protein S09 family | Acetylcholinesterase | 633 aa | 690 aa | 31.7 % |
Echinococcus multilocularis | neuroligin | Acetylcholinesterase | 633 aa | 507 aa | 23.9 % |
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 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Echinococcus granulosus | BC026374 protein S09 family | 0.0014 | 0.0999 | 0.0999 |
Schistosoma mansoni | neuroligin 3 (S09 family) | 0.0014 | 0.0999 | 0.0999 |
Schistosoma mansoni | family S9 non-peptidase homologue (S09 family) | 0.0082 | 1 | 1 |
Onchocerca volvulus | 0.0014 | 0.0999 | 0.5 | |
Mycobacterium ulcerans | carboxylesterase, LipT | 0.0014 | 0.0999 | 0.5 |
Loa Loa (eye worm) | carboxylesterase | 0.0082 | 1 | 1 |
Echinococcus multilocularis | family S9 non peptidase ue (S09 family) | 0.0014 | 0.0999 | 0.0999 |
Echinococcus multilocularis | acetylcholinesterase | 0.0082 | 1 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0014 | 0.0999 | 0.0999 |
Echinococcus multilocularis | acetylcholinesterase | 0.0082 | 1 | 1 |
Trichomonas vaginalis | carboxylesterase domain containing protein, putative | 0.0014 | 0.0999 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0014 | 0.0999 | 0.0999 |
Schistosoma mansoni | family S9 non-peptidase homologue (S09 family) | 0.0014 | 0.0999 | 0.0999 |
Loa Loa (eye worm) | hypothetical protein | 0.0082 | 1 | 1 |
Mycobacterium tuberculosis | POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) | 0.0014 | 0.0999 | 0.5 |
Onchocerca volvulus | 0.0014 | 0.0999 | 0.5 | |
Brugia malayi | Carboxylesterase family protein | 0.0014 | 0.0999 | 0.0999 |
Schistosoma mansoni | acetylcholinesterase | 0.0014 | 0.0999 | 0.0999 |
Echinococcus granulosus | carboxylesterase 5A | 0.0082 | 1 | 1 |
Loa Loa (eye worm) | acetylcholinesterase 1 | 0.0082 | 1 | 1 |
Echinococcus granulosus | acetylcholinesterase | 0.0082 | 1 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0082 | 1 | 1 |
Brugia malayi | Carboxylesterase family protein | 0.0014 | 0.0999 | 0.0999 |
Echinococcus granulosus | acetylcholinesterase | 0.0082 | 1 | 1 |
Echinococcus multilocularis | carboxylesterase 5A | 0.0082 | 1 | 1 |
Loa Loa (eye worm) | carboxylesterase | 0.0014 | 0.0999 | 0.0999 |
Echinococcus granulosus | family S9 non peptidase ue S09 family | 0.0014 | 0.0999 | 0.0999 |
Schistosoma mansoni | family S9 non-peptidase homologue (S09 family) | 0.0014 | 0.0999 | 0.0999 |
Schistosoma mansoni | gliotactin | 0.0014 | 0.0999 | 0.0999 |
Loa Loa (eye worm) | hypothetical protein | 0.0014 | 0.0999 | 0.0999 |
Echinococcus multilocularis | BC026374 protein (S09 family) | 0.0014 | 0.0999 | 0.0999 |
Brugia malayi | Carboxylesterase family protein | 0.0014 | 0.0999 | 0.0999 |
Onchocerca volvulus | 0.0014 | 0.0999 | 0.5 | |
Echinococcus granulosus | neuroligin | 0.0014 | 0.0999 | 0.0999 |
Loa Loa (eye worm) | hypothetical protein | 0.0014 | 0.0999 | 0.0999 |
Echinococcus multilocularis | para nitrobenzyl esterase | 0.0014 | 0.0999 | 0.0999 |
Mycobacterium tuberculosis | POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) | 0.0014 | 0.0999 | 0.5 |
Onchocerca volvulus | 0.0014 | 0.0999 | 0.5 | |
Loa Loa (eye worm) | hypothetical protein | 0.0014 | 0.0999 | 0.0999 |
Loa Loa (eye worm) | hypothetical protein | 0.0014 | 0.0999 | 0.0999 |
Schistosoma mansoni | family S9 non-peptidase homologue (S09 family) | 0.0014 | 0.0999 | 0.0999 |
Echinococcus granulosus | para nitrobenzyl esterase | 0.0014 | 0.0999 | 0.0999 |
Mycobacterium tuberculosis | Carboxylesterase LipT | 0.0014 | 0.0999 | 0.5 |
Loa Loa (eye worm) | carboxylesterase | 0.0014 | 0.0999 | 0.0999 |
Loa Loa (eye worm) | hypothetical protein | 0.0014 | 0.0999 | 0.0999 |
Brugia malayi | Carboxylesterase family protein | 0.0082 | 1 | 1 |
Trichomonas vaginalis | spcc417.12 protein, putative | 0.0014 | 0.0999 | 0.5 |
Brugia malayi | Carboxylesterase family protein | 0.0014 | 0.0999 | 0.0999 |
Onchocerca volvulus | 0.0014 | 0.0999 | 0.5 | |
Schistosoma mansoni | BC026374 protein (S09 family) | 0.0014 | 0.0999 | 0.0999 |
Echinococcus multilocularis | neuroligin | 0.0014 | 0.0999 | 0.0999 |
Brugia malayi | hypothetical protein | 0.0014 | 0.0999 | 0.0999 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
IC50 (binding) | = 0.029 uM | Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method | ChEMBL. | 22503231 |
IC50 (binding) | > 100 uM | Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate after 15 mins by Ellman's method | ChEMBL. | 22503231 |
IC50 (binding) | = 281.4 uM | Inhibition of mitochondrial MAO-B in rat liver homogenates using [14C]-phenylethylamine as substrate preincubated for 30 mins by liquid scintillation counting | ChEMBL. | 22503231 |
IC50 (binding) | = 1001 uM | Inhibition of mitochondrial MAO-A in rat liver homogenates using [14C]-(5-hydroxy-triptamine) as substrate preincubated for 30 mins by liquid scintillation counting | ChEMBL. | 22503231 |
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.