Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Electrophorus electricus | Acetylcholinesterase | Starlite/ChEMBL | References |
Equus caballus | Butyrylcholinesterase | Starlite/ChEMBL | References |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Schistosoma mansoni | family S9 non-peptidase homologue (S09 family) | Acetylcholinesterase | 633 aa | 622 aa | 24.9 % |
Echinococcus granulosus | neuroligin | Butyrylcholinesterase | 602 aa | 492 aa | 24.2 % |
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 |
---|---|---|---|---|
Echinococcus granulosus | nicotinic acetylcholine receptor a11 subunit | 0.0215 | 1 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0164 | 0.6553 | 0.6553 |
Echinococcus multilocularis | nicotinic acetylcholine receptor alpha subunit | 0.0215 | 1 | 1 |
Schistosoma mansoni | nAChR subunit (ShAR1-alpha-like) | 0.0143 | 0.5138 | 0.784 |
Loa Loa (eye worm) | acetylcholinesterase 1 | 0.0164 | 0.6553 | 0.6553 |
Echinococcus multilocularis | nicotinic acetylcholine receptor subunit alpha 8 | 0.0215 | 1 | 1 |
Echinococcus granulosus | carboxylesterase 5A | 0.0164 | 0.6553 | 0.6553 |
Loa Loa (eye worm) | hypothetical protein | 0.0143 | 0.5138 | 0.5138 |
Echinococcus granulosus | nicotinic acetylcholine receptor alpha subunit | 0.0215 | 1 | 1 |
Onchocerca volvulus | 0.0143 | 0.5138 | 0.5138 | |
Schistosoma mansoni | nAChR subunit (ShAR1-beta-like) | 0.0143 | 0.5138 | 0.784 |
Echinococcus multilocularis | acetylcholinesterase | 0.0164 | 0.6553 | 0.6553 |
Echinococcus granulosus | acetylcholinesterase | 0.0164 | 0.6553 | 0.6553 |
Brugia malayi | Cation transporter family protein | 0.0143 | 0.5138 | 0.5138 |
Loa Loa (eye worm) | nicotinic acetylcholine receptor alpha subunit | 0.0215 | 1 | 1 |
Onchocerca volvulus | 0.0143 | 0.5138 | 0.5138 | |
Schistosoma mansoni | family S9 non-peptidase homologue (S09 family) | 0.0164 | 0.6553 | 1 |
Echinococcus multilocularis | carboxylesterase 5A | 0.0164 | 0.6553 | 0.6553 |
Loa Loa (eye worm) | hypothetical protein | 0.0143 | 0.5138 | 0.5138 |
Loa Loa (eye worm) | hypothetical protein | 0.0112 | 0.3095 | 0.3095 |
Echinococcus multilocularis | acetylcholinesterase | 0.0164 | 0.6553 | 0.6553 |
Echinococcus granulosus | nicotinic acetylcholine receptor subunit alpha 8 | 0.0215 | 1 | 1 |
Echinococcus multilocularis | nicotinic acetylcholine receptor a11 subunit | 0.0215 | 1 | 1 |
Onchocerca volvulus | Putative nachr subunit | 0.0215 | 1 | 1 |
Brugia malayi | Carboxylesterase family protein | 0.0164 | 0.6553 | 0.6553 |
Loa Loa (eye worm) | carboxylesterase | 0.0164 | 0.6553 | 0.6553 |
Loa Loa (eye worm) | hypothetical protein | 0.0164 | 0.6553 | 0.6553 |
Brugia malayi | Carboxylesterase family protein | 0.0164 | 0.6553 | 0.6553 |
Echinococcus granulosus | acetylcholinesterase | 0.0164 | 0.6553 | 0.6553 |
Loa Loa (eye worm) | hypothetical protein | 0.0215 | 1 | 1 |
Onchocerca volvulus | 0.0143 | 0.5138 | 0.5138 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
Drug metabolism (ADMET) | = 0 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) | = 0 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) | = 10.6 uM | Inhibition of equine serum BChE using butyrylthiocholine iodide as a substrate by spectrophotometric Ellman's assay | ChEMBL. | 21975066 |
IC50 (binding) | = 49.4 uM | Inhibition of Electrophorus electricus Type V-S acetylcholinesterase using acetylcholine iodide as substrate by spectrophotometric Ellman's assay | ChEMBL. | 21975066 |
Ki (binding) | = 1.6 uM | Inhibition of equine serum BChE using butyrylthiocholine iodide as a substrate by spectrophotometric Ellman's assay | ChEMBL. | 21975066 |
Ki (binding) | = 10.9 uM | Inhibition of Electrophorus electricus Type V-S acetylcholinesterase using acetylcholine iodide as 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.