Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Torpedo californica | Acetylcholinesterase | Starlite/ChEMBL | No references |
Electrophorus electricus | Acetylcholinesterase | Starlite/ChEMBL | References |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Echinococcus multilocularis | BC026374 protein (S09 family) | Acetylcholinesterase | 586 aa | 643 aa | 32.2 % |
Onchocerca volvulus | Molybdopterin synthase catalytic subunit homolog | Acetylcholinesterase | 586 aa | 588 aa | 28.1 % |
Onchocerca volvulus | Carnitine O-palmitoyltransferase 2, mitochondrial homolog | Acetylcholinesterase | 586 aa | 552 aa | 37.7 % |
Drosophila melanogaster | CG10175 gene product from transcript CG10175-RE | Acetylcholinesterase | 586 aa | 535 aa | 31.4 % |
Echinococcus multilocularis | neuroligin | Acetylcholinesterase | 586 aa | 487 aa | 23.0 % |
Brugia malayi | Carboxylesterase family protein | Acetylcholinesterase | 586 aa | 480 aa | 24.6 % |
Schistosoma mansoni | family S9 non-peptidase homologue (S09 family) | Acetylcholinesterase | 586 aa | 602 aa | 24.4 % |
Onchocerca volvulus | Acetylcholinesterase | 586 aa | 564 aa | 29.4 % | |
Brugia malayi | Carboxylesterase family protein | Acetylcholinesterase | 586 aa | 546 aa | 29.3 % |
Onchocerca volvulus | Acetylcholinesterase | 586 aa | 562 aa | 25.1 % | |
Echinococcus granulosus | neuroligin | Acetylcholinesterase | 586 aa | 493 aa | 21.5 % |
Loa Loa (eye worm) | hypothetical protein | Acetylcholinesterase | 586 aa | 571 aa | 25.0 % |
Schistosoma mansoni | gliotactin | Acetylcholinesterase | 586 aa | 474 aa | 31.6 % |
Brugia malayi | Carboxylesterase family protein | Acetylcholinesterase | 586 aa | 592 aa | 28.0 % |
Schistosoma japonicum | ko:K01050 cholinesterase [EC3.1.1.8], putative | Acetylcholinesterase | 586 aa | 577 aa | 33.6 % |
Loa Loa (eye worm) | hypothetical protein | Acetylcholinesterase | 586 aa | 509 aa | 24.8 % |
Echinococcus granulosus | BC026374 protein S09 family | Acetylcholinesterase | 586 aa | 648 aa | 32.6 % |
Onchocerca volvulus | Acetylcholinesterase | 586 aa | 612 aa | 25.5 % | |
Onchocerca volvulus | Putative nuclear protein | Acetylcholinesterase | 586 aa | 551 aa | 40.7 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Schistosoma mansoni | hypothetical protein | 0.0429 | 0.2053 | 0.2053 |
Schistosoma mansoni | serine/threonine kinase | 0.1295 | 1 | 1 |
Echinococcus multilocularis | serine:threonine protein kinase MARK2 | 0.0432 | 0.2082 | 0.343 |
Echinococcus granulosus | calcium activated potassium channel | 0.0432 | 0.2082 | 0.343 |
Echinococcus multilocularis | maternal embryonic leucine zipper kinase | 0.0867 | 0.6071 | 1 |
Echinococcus multilocularis | calcium activated potassium channel | 0.0432 | 0.2082 | 0.343 |
Schistosoma mansoni | serine/threonine protein kinase | 0.0432 | 0.2082 | 0.2082 |
Echinococcus granulosus | serine:threonine protein kinase MARK2 | 0.0432 | 0.2082 | 0.343 |
Schistosoma mansoni | serine/threonine protein kinase | 0.0432 | 0.2082 | 0.2082 |
Schistosoma mansoni | serine/threonine protein kinase | 0.0432 | 0.2082 | 0.2082 |
Schistosoma mansoni | hypothetical protein | 0.0429 | 0.2053 | 0.2053 |
Echinococcus granulosus | maternal embryonic leucine zipper kinase | 0.0867 | 0.6071 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0429 | 0.2053 | 0.2053 |
Echinococcus multilocularis | serine:threonine protein kinase MARK2 | 0.0432 | 0.2082 | 0.343 |
Schistosoma mansoni | serine/threonine protein kinase | 0.0432 | 0.2082 | 0.2082 |
Echinococcus granulosus | serine:threonine protein kinase MARK2 | 0.0432 | 0.2082 | 0.343 |
Echinococcus multilocularis | hypothetical protein | 0.0429 | 0.2053 | 0.3381 |
Schistosoma mansoni | serine/threonine protein kinase | 0.0432 | 0.2082 | 0.2082 |
Loa Loa (eye worm) | CAMK/CAMKL/MELK protein kinase | 0.1295 | 1 | 1 |
Trichomonas vaginalis | CAMK family protein kinase | 0.1295 | 1 | 1 |
Brugia malayi | Kinase associated domain 1 family protein | 0.0429 | 0.2053 | 0.2053 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
IC50 (binding) | = 11.1 nM | Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds for 30 mins by Ellman's method | ChEMBL. | 23535563 |
IC50 (binding) | = 11.1 nM | Inhibition of Torpedo californica eel AChE using acetylthiocholine/DTNB as substrate preincubated for 10 mins followed by substrate addition measured every 30 secs for 30 mins by Ellmans method | ChEMBL. | No reference |
IC50 (binding) | = 13.4 nM | Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS condition by Muraoka and Miura method | ChEMBL. | 23535563 |
IC50 (binding) | = 13.4 nM | Inhibition of Torpedo californica eel AChE using acetylthiocholine/DTNB as substrate assessed as ROS-induced enzyme inactivation preincubated for 10 mins followed by substrate addition measured every 30 secs for 20 mins in presence of horseradish peroxidase and H2O2 | 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.