Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Equus caballus | Butyrylcholinesterase | Starlite/ChEMBL | References |
Electrophorus electricus | Acetylcholinesterase | Starlite/ChEMBL | References |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Echinococcus granulosus | neuroligin | Butyrylcholinesterase | 602 aa | 492 aa | 24.2 % |
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 % |
Drosophila melanogaster | CG10175 gene product from transcript CG10175-RE | Acetylcholinesterase | 633 aa | 549 aa | 30.4 % |
Echinococcus multilocularis | BC026374 protein (S09 family) | Acetylcholinesterase | 633 aa | 690 aa | 32.3 % |
Schistosoma mansoni | gliotactin | Butyrylcholinesterase | 602 aa | 587 aa | 28.1 % |
Onchocerca volvulus | Putative nuclear protein | Butyrylcholinesterase | 602 aa | 573 aa | 41.4 % |
Echinococcus multilocularis | neuroligin | Acetylcholinesterase | 633 aa | 507 aa | 23.9 % |
Brugia malayi | Carboxylesterase family protein | Acetylcholinesterase | 633 aa | 620 aa | 28.4 % |
Onchocerca volvulus | Acetylcholinesterase | 633 aa | 648 aa | 25.3 % | |
Loa Loa (eye worm) | hypothetical protein | Acetylcholinesterase | 633 aa | 597 aa | 25.1 % |
Onchocerca volvulus | Butyrylcholinesterase | 602 aa | 551 aa | 30.1 % | |
Echinococcus granulosus | BC026374 protein S09 family | Acetylcholinesterase | 633 aa | 690 aa | 31.7 % |
Onchocerca volvulus | Butyrylcholinesterase | 602 aa | 578 aa | 25.4 % | |
Onchocerca volvulus | Molybdopterin synthase catalytic subunit homolog | Acetylcholinesterase | 633 aa | 576 aa | 28.8 % |
Onchocerca volvulus | Carnitine O-palmitoyltransferase 2, mitochondrial homolog | Butyrylcholinesterase | 602 aa | 554 aa | 35.9 % |
Brugia malayi | Carboxylesterase family protein | Acetylcholinesterase | 633 aa | 517 aa | 25.1 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Brugia malayi | Carboxylesterase family protein | 0.0164 | 1 | 1 |
Brugia malayi | Carboxylesterase family protein | 0.0028 | 0.1302 | 0.1302 |
Loa Loa (eye worm) | hypothetical protein | 0.0028 | 0.1302 | 0.1302 |
Echinococcus granulosus | acetylcholinesterase | 0.0164 | 1 | 1 |
Echinococcus multilocularis | acetylcholinesterase | 0.0164 | 1 | 1 |
Brugia malayi | Carboxylesterase family protein | 0.0028 | 0.1302 | 0.1302 |
Echinococcus granulosus | para nitrobenzyl esterase | 0.0028 | 0.1302 | 0.1302 |
Onchocerca volvulus | 0.0028 | 0.1302 | 0.5 | |
Schistosoma mansoni | BC026374 protein (S09 family) | 0.0028 | 0.1302 | 0.1302 |
Schistosoma mansoni | acetylcholinesterase | 0.0028 | 0.1302 | 0.1302 |
Echinococcus multilocularis | BC026374 protein (S09 family) | 0.0028 | 0.1302 | 0.1302 |
Echinococcus granulosus | BC026374 protein S09 family | 0.0028 | 0.1302 | 0.1302 |
Mycobacterium tuberculosis | POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) | 0.0028 | 0.1302 | 0.5 |
Mycobacterium tuberculosis | POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) | 0.0028 | 0.1302 | 0.5 |
Echinococcus multilocularis | para nitrobenzyl esterase | 0.0028 | 0.1302 | 0.1302 |
Trichomonas vaginalis | spcc417.12 protein, putative | 0.0028 | 0.1302 | 0.5 |
Schistosoma mansoni | family S9 non-peptidase homologue (S09 family) | 0.0164 | 1 | 1 |
Schistosoma mansoni | family S9 non-peptidase homologue (S09 family) | 0.0028 | 0.1302 | 0.1302 |
Schistosoma mansoni | family S9 non-peptidase homologue (S09 family) | 0.0028 | 0.1302 | 0.1302 |
Loa Loa (eye worm) | hypothetical protein | 0.0028 | 0.1302 | 0.1302 |
Brugia malayi | hypothetical protein | 0.0028 | 0.1302 | 0.1302 |
Loa Loa (eye worm) | hypothetical protein | 0.0164 | 1 | 1 |
Brugia malayi | Carboxylesterase family protein | 0.0028 | 0.1302 | 0.1302 |
Schistosoma mansoni | gliotactin | 0.0028 | 0.1302 | 0.1302 |
Mycobacterium ulcerans | carboxylesterase, LipT | 0.0028 | 0.1302 | 0.5 |
Onchocerca volvulus | 0.0028 | 0.1302 | 0.5 | |
Onchocerca volvulus | 0.0028 | 0.1302 | 0.5 | |
Loa Loa (eye worm) | carboxylesterase | 0.0028 | 0.1302 | 0.1302 |
Schistosoma mansoni | neuroligin 3 (S09 family) | 0.0028 | 0.1302 | 0.1302 |
Loa Loa (eye worm) | acetylcholinesterase 1 | 0.0164 | 1 | 1 |
Trichomonas vaginalis | carboxylesterase domain containing protein, putative | 0.0028 | 0.1302 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0028 | 0.1302 | 0.1302 |
Loa Loa (eye worm) | hypothetical protein | 0.0028 | 0.1302 | 0.1302 |
Echinococcus granulosus | family S9 non peptidase ue S09 family | 0.0028 | 0.1302 | 0.1302 |
Echinococcus multilocularis | carboxylesterase 5A | 0.0164 | 1 | 1 |
Onchocerca volvulus | 0.0028 | 0.1302 | 0.5 | |
Loa Loa (eye worm) | carboxylesterase | 0.0028 | 0.1302 | 0.1302 |
Loa Loa (eye worm) | hypothetical protein | 0.0164 | 1 | 1 |
Echinococcus granulosus | neuroligin | 0.0028 | 0.1302 | 0.1302 |
Echinococcus granulosus | acetylcholinesterase | 0.0164 | 1 | 1 |
Loa Loa (eye worm) | carboxylesterase | 0.0164 | 1 | 1 |
Schistosoma mansoni | family S9 non-peptidase homologue (S09 family) | 0.0028 | 0.1302 | 0.1302 |
Brugia malayi | Carboxylesterase family protein | 0.0028 | 0.1302 | 0.1302 |
Loa Loa (eye worm) | hypothetical protein | 0.0028 | 0.1302 | 0.1302 |
Loa Loa (eye worm) | hypothetical protein | 0.0028 | 0.1302 | 0.1302 |
Mycobacterium tuberculosis | Carboxylesterase LipT | 0.0028 | 0.1302 | 0.5 |
Echinococcus granulosus | carboxylesterase 5A | 0.0164 | 1 | 1 |
Onchocerca volvulus | 0.0028 | 0.1302 | 0.5 | |
Echinococcus multilocularis | acetylcholinesterase | 0.0164 | 1 | 1 |
Echinococcus multilocularis | neuroligin | 0.0028 | 0.1302 | 0.1302 |
Loa Loa (eye worm) | hypothetical protein | 0.0028 | 0.1302 | 0.1302 |
Echinococcus multilocularis | family S9 non peptidase ue (S09 family) | 0.0028 | 0.1302 | 0.1302 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
IC50 (binding) | = 1.5 uM | Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method | ChEMBL. | 22503231 |
IC50 (binding) | = 6.6 uM | Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate after 15 mins by Ellman's method | ChEMBL. | 22503231 |
IC50 (binding) | = 240.5 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 |
IC50 (binding) | = 616.7 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 |
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.