Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Electrophorus electricus | Acetylcholinesterase | Starlite/ChEMBL | References |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Echinococcus granulosus | BC026374 protein S09 family | Acetylcholinesterase | 633 aa | 690 aa | 31.7 % |
Brugia malayi | Carboxylesterase family protein | Acetylcholinesterase | 633 aa | 517 aa | 25.1 % |
Echinococcus multilocularis | neuroligin | Acetylcholinesterase | 633 aa | 507 aa | 23.9 % |
Onchocerca volvulus | Molybdopterin synthase catalytic subunit homolog | Acetylcholinesterase | 633 aa | 576 aa | 28.8 % |
Loa Loa (eye worm) | hypothetical protein | Acetylcholinesterase | 633 aa | 597 aa | 25.1 % |
Brugia malayi | Carboxylesterase family protein | Acetylcholinesterase | 633 aa | 620 aa | 28.4 % |
Drosophila melanogaster | CG10175 gene product from transcript CG10175-RE | Acetylcholinesterase | 633 aa | 549 aa | 30.4 % |
Onchocerca volvulus | Acetylcholinesterase | 633 aa | 648 aa | 25.3 % | |
Echinococcus multilocularis | BC026374 protein (S09 family) | Acetylcholinesterase | 633 aa | 690 aa | 32.3 % |
Schistosoma mansoni | family S9 non-peptidase homologue (S09 family) | Acetylcholinesterase | 633 aa | 622 aa | 24.9 % |
Loa Loa (eye worm) | hypothetical protein | Acetylcholinesterase | 633 aa | 576 aa | 23.4 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Schistosoma mansoni | transient receptor potential channel | 0.0014 | 0.0075 | 0.0075 |
Echinococcus multilocularis | acetylcholinesterase | 0.0082 | 1 | 1 |
Onchocerca volvulus | 0.0014 | 0.0048 | 0.5 | |
Schistosoma mansoni | neuroligin 3 (S09 family) | 0.0014 | 0.0048 | 0.0048 |
Schistosoma mansoni | family S9 non-peptidase homologue (S09 family) | 0.0014 | 0.0048 | 0.0048 |
Onchocerca volvulus | 0.0014 | 0.0048 | 0.5 | |
Echinococcus granulosus | family S9 non peptidase ue S09 family | 0.0014 | 0.0048 | 0.0048 |
Echinococcus granulosus | para nitrobenzyl esterase | 0.0014 | 0.0048 | 0.0048 |
Echinococcus multilocularis | transient receptor potential cation channel | 0.0014 | 0.0075 | 0.0075 |
Brugia malayi | Carboxylesterase family protein | 0.0082 | 1 | 1 |
Mycobacterium tuberculosis | Carboxylesterase LipT | 0.0014 | 0.0048 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0082 | 1 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0082 | 1 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0014 | 0.0075 | 0.0075 |
Echinococcus granulosus | neuroligin | 0.0014 | 0.0048 | 0.0048 |
Loa Loa (eye worm) | hypothetical protein | 0.0014 | 0.0048 | 0.0048 |
Trichomonas vaginalis | carboxylesterase domain containing protein, putative | 0.0014 | 0.0048 | 0.5 |
Onchocerca volvulus | 0.0014 | 0.0048 | 0.5 | |
Mycobacterium tuberculosis | POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) | 0.0014 | 0.0048 | 0.5 |
Mycobacterium tuberculosis | POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) | 0.0014 | 0.0048 | 0.5 |
Echinococcus multilocularis | short transient receptor potential channel 6 | 0.0014 | 0.0075 | 0.0075 |
Brugia malayi | olfactory channel protein osm-9 | 0.0014 | 0.0075 | 0.0027 |
Loa Loa (eye worm) | hypothetical protein | 0.0014 | 0.0048 | 0.0048 |
Echinococcus multilocularis | transient receptor potential cation channel | 0.0014 | 0.0075 | 0.0075 |
Loa Loa (eye worm) | hypothetical protein | 0.0014 | 0.0048 | 0.0048 |
Echinococcus multilocularis | carboxylesterase 5A | 0.0082 | 1 | 1 |
Echinococcus granulosus | acetylcholinesterase | 0.0082 | 1 | 1 |
Schistosoma mansoni | family S9 non-peptidase homologue (S09 family) | 0.0014 | 0.0048 | 0.0048 |
Schistosoma mansoni | family S9 non-peptidase homologue (S09 family) | 0.0014 | 0.0048 | 0.0048 |
Echinococcus multilocularis | neuroligin | 0.0014 | 0.0048 | 0.0048 |
Echinococcus granulosus | carboxylesterase 5A | 0.0082 | 1 | 1 |
Schistosoma mansoni | gliotactin | 0.0014 | 0.0048 | 0.0048 |
Loa Loa (eye worm) | hypothetical protein | 0.0014 | 0.0048 | 0.0048 |
Loa Loa (eye worm) | hypothetical protein | 0.0014 | 0.0048 | 0.0048 |
Echinococcus granulosus | acetylcholinesterase | 0.0082 | 1 | 1 |
Onchocerca volvulus | 0.0014 | 0.0048 | 0.5 | |
Loa Loa (eye worm) | carboxylesterase | 0.0014 | 0.0048 | 0.0048 |
Loa Loa (eye worm) | carboxylesterase | 0.0082 | 1 | 1 |
Schistosoma mansoni | acetylcholinesterase | 0.0014 | 0.0048 | 0.0048 |
Mycobacterium ulcerans | carboxylesterase, LipT | 0.0014 | 0.0048 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0014 | 0.0048 | 0.0048 |
Loa Loa (eye worm) | hypothetical protein | 0.0014 | 0.0048 | 0.0048 |
Echinococcus granulosus | short transient receptor potential channel 6 | 0.0014 | 0.0075 | 0.0075 |
Loa Loa (eye worm) | carboxylesterase | 0.0014 | 0.0048 | 0.0048 |
Schistosoma mansoni | family S9 non-peptidase homologue (S09 family) | 0.0082 | 1 | 1 |
Echinococcus granulosus | transient receptor potential cation channel | 0.0014 | 0.0075 | 0.0075 |
Loa Loa (eye worm) | acetylcholinesterase 1 | 0.0082 | 1 | 1 |
Schistosoma mansoni | BC026374 protein (S09 family) | 0.0014 | 0.0048 | 0.0048 |
Onchocerca volvulus | 0.0014 | 0.0048 | 0.5 | |
Echinococcus multilocularis | family S9 non peptidase ue (S09 family) | 0.0014 | 0.0048 | 0.0048 |
Echinococcus multilocularis | BC026374 protein (S09 family) | 0.0014 | 0.0048 | 0.0048 |
Echinococcus multilocularis | para nitrobenzyl esterase | 0.0014 | 0.0048 | 0.0048 |
Echinococcus multilocularis | acetylcholinesterase | 0.0082 | 1 | 1 |
Echinococcus granulosus | BC026374 protein S09 family | 0.0014 | 0.0048 | 0.0048 |
Trichomonas vaginalis | spcc417.12 protein, putative | 0.0014 | 0.0048 | 0.5 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
IC50 (binding) | = 1.4 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) | = 660.5 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) | = 1050 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.