Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Rattus norvegicus | Acetylcholinesterase | Starlite/ChEMBL | References |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Onchocerca volvulus | Acetylcholinesterase | 614 aa | 583 aa | 30.7 % | |
Schistosoma mansoni | family S9 non-peptidase homologue (S09 family) | Acetylcholinesterase | 614 aa | 602 aa | 24.3 % |
Onchocerca volvulus | Acetylcholinesterase | 614 aa | 632 aa | 25.6 % | |
Echinococcus multilocularis | BC026374 protein (S09 family) | Acetylcholinesterase | 614 aa | 642 aa | 34.0 % |
Echinococcus multilocularis | neuroligin | Acetylcholinesterase | 614 aa | 496 aa | 24.0 % |
Onchocerca volvulus | Acetylcholinesterase | 614 aa | 581 aa | 27.0 % | |
Onchocerca volvulus | Putative nuclear protein | Acetylcholinesterase | 614 aa | 577 aa | 40.7 % |
Loa Loa (eye worm) | hypothetical protein | Acetylcholinesterase | 614 aa | 574 aa | 24.0 % |
Echinococcus granulosus | BC026374 protein S09 family | Acetylcholinesterase | 614 aa | 642 aa | 34.1 % |
Brugia malayi | Carboxylesterase family protein | Acetylcholinesterase | 614 aa | 507 aa | 26.4 % |
Brugia malayi | Carboxylesterase family protein | Acetylcholinesterase | 614 aa | 573 aa | 30.5 % |
Onchocerca volvulus | Carnitine O-palmitoyltransferase 2, mitochondrial homolog | Acetylcholinesterase | 614 aa | 531 aa | 39.7 % |
Loa Loa (eye worm) | hypothetical protein | Acetylcholinesterase | 614 aa | 570 aa | 25.4 % |
Drosophila melanogaster | CG10175 gene product from transcript CG10175-RE | Acetylcholinesterase | 614 aa | 547 aa | 32.5 % |
Onchocerca volvulus | Molybdopterin synthase catalytic subunit homolog | Acetylcholinesterase | 614 aa | 564 aa | 29.8 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Trichomonas vaginalis | heat shock protein, putative | 0.0956 | 0.592 | 0.5145 |
Trichomonas vaginalis | heat shock protein, putative | 0.0638 | 0.377 | 0.2588 |
Echinococcus granulosus | endoplasmin | 0.1241 | 0.785 | 0.785 |
Loa Loa (eye worm) | TOPoisomerase family member | 0.0317 | 0.1595 | 0.1595 |
Toxoplasma gondii | Hsp90 domain-containing protein | 0.0638 | 0.377 | 0.2588 |
Echinococcus granulosus | DNA topoisomerase 2 alpha | 0.0317 | 0.1595 | 0.1595 |
Brugia malayi | DNA topoisomerase II, alpha isozyme | 0.0317 | 0.1595 | 0.1595 |
Trichomonas vaginalis | endoplasmin, putative | 0.0956 | 0.592 | 0.5145 |
Mycobacterium leprae | PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) | 0.1241 | 0.785 | 1 |
Echinococcus multilocularis | Pyruvate dehydrogenase (lipoamide) kinase | 0.0317 | 0.1595 | 0.1595 |
Loa Loa (eye worm) | heat shock protein 75 | 0.0638 | 0.377 | 0.377 |
Mycobacterium ulcerans | heat shock protein 90 | 0.1241 | 0.785 | 1 |
Echinococcus multilocularis | endoplasmin | 0.1241 | 0.785 | 0.785 |
Plasmodium falciparum | heat shock protein 90, putative | 0.0638 | 0.377 | 0.2588 |
Echinococcus granulosus | heat shock protein heat shock protein 90 alpha | 0.1241 | 0.785 | 0.785 |
Plasmodium falciparum | endoplasmin, putative | 0.0956 | 0.592 | 0.5145 |
Wolbachia endosymbiont of Brugia malayi | heat shock protein 90 | 0.1241 | 0.785 | 1 |
Echinococcus multilocularis | heat shock protein 90 | 0.1241 | 0.785 | 0.785 |
Echinococcus granulosus | heat shock protein 90 | 0.1241 | 0.785 | 0.785 |
Plasmodium vivax | heat shock protein 90, putative | 0.0638 | 0.377 | 0.2588 |
Entamoeba histolytica | 90 kDa heat shock protein, putative | 0.0638 | 0.377 | 0.2588 |
Echinococcus multilocularis | heat shock protein 75 kDa, mitochondrial | 0.0638 | 0.377 | 0.377 |
Leishmania major | heat shock protein, putative | 0.0638 | 0.377 | 0.2588 |
Schistosoma mansoni | DNA topoisomerase II | 0.0317 | 0.1595 | 0.1595 |
Giardia lamblia | Heat shock protein HSP 90-alpha | 0.1241 | 0.785 | 0.7443 |
Brugia malayi | Hsp90 protein | 0.0638 | 0.377 | 0.377 |
Schistosoma mansoni | pyruvate dehydrogenase | 0.0317 | 0.1595 | 0.1595 |
Echinococcus multilocularis | Pyruvate dehydrogenase (lipoamide) kinase | 0.0317 | 0.1595 | 0.1595 |
Giardia lamblia | Grp94/Hsp90 | 0.1241 | 0.785 | 0.7443 |
Echinococcus granulosus | Pyruvate dehydrogenase lipoamide kinase | 0.0317 | 0.1595 | 0.1595 |
Leishmania major | lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative | 0.1241 | 0.785 | 0.7443 |
Loa Loa (eye worm) | hypothetical protein | 0.0317 | 0.1595 | 0.1595 |
Plasmodium vivax | heat shock protein, putative | 0.0638 | 0.377 | 0.2588 |
Loa Loa (eye worm) | hypothetical protein | 0.0317 | 0.1595 | 0.1595 |
Loa Loa (eye worm) | hypothetical protein | 0.0317 | 0.1595 | 0.1595 |
Echinococcus granulosus | heat shock protein 75 kDa mitochondrial | 0.0638 | 0.377 | 0.377 |
Mycobacterium tuberculosis | Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) | 0.1241 | 0.785 | 1 |
Onchocerca volvulus | Heat shock protein 75 kDa, mitochondrial homolog | 0.0638 | 0.377 | 1 |
Trichomonas vaginalis | heat shock protein, putative | 0.1241 | 0.785 | 0.7443 |
Echinococcus multilocularis | DNA topoisomerase 2 alpha | 0.0317 | 0.1595 | 0.1595 |
Brugia malayi | Probable DNA topoisomerase II | 0.0317 | 0.1595 | 0.1595 |
Schistosoma mansoni | heat shock protein | 0.0638 | 0.377 | 0.377 |
Toxoplasma gondii | heat shock protein 75, putative | 0.0638 | 0.377 | 0.2588 |
Chlamydia trachomatis | two component regulatory system sensor histidine kinase | 0.0317 | 0.1595 | 0.5 |
Trichomonas vaginalis | heat shock protein, putative | 0.1241 | 0.785 | 0.7443 |
Trichomonas vaginalis | heat shock protein, putative | 0.1241 | 0.785 | 0.7443 |
Trypanosoma cruzi | heat shock protein 90, putative | 0.092 | 0.5675 | 0.4855 |
Brugia malayi | DNA gyrase/topoisomerase IV, A subunit family protein | 0.0317 | 0.1595 | 0.1595 |
Plasmodium falciparum | heat shock protein 90, putative | 0.0638 | 0.377 | 0.2588 |
Trypanosoma brucei | heat shock protein 84, putative | 0.0638 | 0.377 | 0.2588 |
Treponema pallidum | heat shock protein 90 | 0.1241 | 0.785 | 1 |
Trypanosoma cruzi | heat shock protein 85, putative | 0.1241 | 0.785 | 0.7443 |
Brugia malayi | kinase, mitochondrial precursor | 0.0317 | 0.1595 | 0.1595 |
Trypanosoma cruzi | heat shock protein 90, putative | 0.1241 | 0.785 | 0.7443 |
Chlamydia trachomatis | DNA gyrase subunit B | 0.0317 | 0.1595 | 0.5 |
Chlamydia trachomatis | DNA gyrase subunit B | 0.0317 | 0.1595 | 0.5 |
Trypanosoma cruzi | heat shock protein, putative | 0.0638 | 0.377 | 0.2588 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
IC50 (binding) | = 9 nM | Inhibition of AChE in Sprague-Dawley rat cortices using acetylthiocholine iodide as substrate by Ellman's method | ChEMBL. | 23273608 |
Ratio IC50 (binding) | = 7 | Ratio of HupA IC50 to compound IC50 for AChE in Sprague-Dawley rat cortices | ChEMBL. | 23273608 |
Ratio IC50 (binding) | = 28 | Ratio of tacrine IC50 to compound IC50 for AChE in Sprague-Dawley rat cortices | ChEMBL. | 23273608 |
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.