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 |
---|---|---|---|---|---|
Loa Loa (eye worm) | hypothetical protein | Acetylcholinesterase | 633 aa | 597 aa | 25.1 % |
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 % |
Echinococcus multilocularis | BC026374 protein (S09 family) | Acetylcholinesterase | 633 aa | 690 aa | 32.3 % |
Echinococcus granulosus | BC026374 protein S09 family | Acetylcholinesterase | 633 aa | 690 aa | 31.7 % |
Onchocerca volvulus | Molybdopterin synthase catalytic subunit homolog | Acetylcholinesterase | 633 aa | 576 aa | 28.8 % |
Onchocerca volvulus | Butyrylcholinesterase | 602 aa | 551 aa | 30.1 % | |
Drosophila melanogaster | CG10175 gene product from transcript CG10175-RE | Acetylcholinesterase | 633 aa | 549 aa | 30.4 % |
Onchocerca volvulus | Putative nuclear protein | Butyrylcholinesterase | 602 aa | 573 aa | 41.4 % |
Brugia malayi | Carboxylesterase family protein | Acetylcholinesterase | 633 aa | 517 aa | 25.1 % |
Schistosoma mansoni | gliotactin | Butyrylcholinesterase | 602 aa | 587 aa | 28.1 % |
Echinococcus multilocularis | neuroligin | Acetylcholinesterase | 633 aa | 507 aa | 23.9 % |
Echinococcus granulosus | neuroligin | Butyrylcholinesterase | 602 aa | 492 aa | 24.2 % |
Onchocerca volvulus | Butyrylcholinesterase | 602 aa | 578 aa | 25.4 % | |
Onchocerca volvulus | Acetylcholinesterase | 633 aa | 648 aa | 25.3 % | |
Onchocerca volvulus | Carnitine O-palmitoyltransferase 2, mitochondrial homolog | Butyrylcholinesterase | 602 aa | 554 aa | 35.9 % |
Brugia malayi | Carboxylesterase family protein | Acetylcholinesterase | 633 aa | 620 aa | 28.4 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Brugia malayi | Carboxylesterase family protein | 0.0164 | 0.5 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0164 | 0.5 | 0.5 |
Echinococcus granulosus | acetylcholinesterase | 0.0164 | 0.5 | 0.5 |
Loa Loa (eye worm) | acetylcholinesterase 1 | 0.0164 | 0.5 | 0.5 |
Echinococcus multilocularis | carboxylesterase 5A | 0.0164 | 0.5 | 0.5 |
Schistosoma mansoni | family S9 non-peptidase homologue (S09 family) | 0.0164 | 0.5 | 0.5 |
Loa Loa (eye worm) | carboxylesterase | 0.0164 | 0.5 | 0.5 |
Echinococcus granulosus | carboxylesterase 5A | 0.0164 | 0.5 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0164 | 0.5 | 0.5 |
Echinococcus multilocularis | acetylcholinesterase | 0.0164 | 0.5 | 0.5 |
Echinococcus granulosus | acetylcholinesterase | 0.0164 | 0.5 | 0.5 |
Echinococcus multilocularis | acetylcholinesterase | 0.0164 | 0.5 | 0.5 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
Drug metabolism (ADMET) | = 10 uM | Prodrug activation assessed as Electrophorus electricus Type V-S acetylcholinesterase mediated 3,4-diaminopyridine release measured 3 hrs post enzymatic hydrolysis by reverse phase HPLC | ChEMBL. | 21975066 |
Drug metabolism (ADMET) | = 71 uM | Prodrug activation assessed as equine serum BChE-mediated 3,4-diaminopyridine release measured 3 hrs post enzymatic hydrolysis by reverse phase HPLC | ChEMBL. | 21975066 |
IC50 (binding) | = 48.8 uM | Inhibition of Electrophorus electricus Type V-S acetylcholinesterase using acetylcholine iodide as substrate by spectrophotometric Ellman's assay | ChEMBL. | 21975066 |
IC50 (binding) | = 111.5 uM | Inhibition of equine serum BChE using butyrylthiocholine iodide as a substrate by spectrophotometric Ellman's assay | ChEMBL. | 21975066 |
Ki (binding) | = 12.1 uM | Inhibition of Electrophorus electricus Type V-S acetylcholinesterase using acetylcholine iodide as substrate by spectrophotometric Ellman's assay | ChEMBL. | 21975066 |
Ki (binding) | = 14.4 uM | Inhibition of equine serum BChE using butyrylthiocholine iodide as a substrate by spectrophotometric Ellman's assay | ChEMBL. | 21975066 |
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.