Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Bos taurus | Acetylcholinesterase | Starlite/ChEMBL | References |
Equus caballus | Butyrylcholinesterase | Starlite/ChEMBL | References |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Schistosoma mansoni | gliotactin | Butyrylcholinesterase | 602 aa | 587 aa | 28.1 % |
Echinococcus granulosus | BC026374 protein S09 family | Acetylcholinesterase | 613 aa | 627 aa | 34.0 % |
Loa Loa (eye worm) | hypothetical protein | Acetylcholinesterase | 613 aa | 573 aa | 26.5 % |
Echinococcus multilocularis | neuroligin | Acetylcholinesterase | 613 aa | 534 aa | 23.2 % |
Onchocerca volvulus | Acetylcholinesterase | 613 aa | 565 aa | 26.0 % | |
Brugia malayi | Carboxylesterase family protein | Acetylcholinesterase | 613 aa | 491 aa | 26.7 % |
Loa Loa (eye worm) | hypothetical protein | Acetylcholinesterase | 613 aa | 561 aa | 24.6 % |
Schistosoma mansoni | family S9 non-peptidase homologue (S09 family) | Acetylcholinesterase | 613 aa | 601 aa | 23.6 % |
Onchocerca volvulus | Molybdopterin synthase catalytic subunit homolog | Acetylcholinesterase | 613 aa | 564 aa | 30.3 % |
Drosophila melanogaster | CG10175 gene product from transcript CG10175-RE | Acetylcholinesterase | 613 aa | 527 aa | 32.3 % |
Onchocerca volvulus | Acetylcholinesterase | 613 aa | 552 aa | 31.3 % | |
Echinococcus multilocularis | BC026374 protein (S09 family) | Acetylcholinesterase | 613 aa | 627 aa | 33.8 % |
Onchocerca volvulus | Putative nuclear protein | Acetylcholinesterase | 613 aa | 572 aa | 41.6 % |
Onchocerca volvulus | Acetylcholinesterase | 613 aa | 613 aa | 26.8 % | |
Onchocerca volvulus | Carnitine O-palmitoyltransferase 2, mitochondrial homolog | Acetylcholinesterase | 613 aa | 511 aa | 39.9 % |
Brugia malayi | Carboxylesterase family protein | Acetylcholinesterase | 613 aa | 569 aa | 31.3 % |
Echinococcus granulosus | neuroligin | Butyrylcholinesterase | 602 aa | 492 aa | 24.2 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Mycobacterium tuberculosis | POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) | 0.0028 | 0.0913 | 0.5 |
Brugia malayi | Pre-SET motif family protein | 0.0031 | 0.1034 | 0.1182 |
Echinococcus granulosus | BC026374 protein S09 family | 0.0028 | 0.0913 | 0.1253 |
Echinococcus multilocularis | family S9 non peptidase ue (S09 family) | 0.0028 | 0.0913 | 0.1253 |
Loa Loa (eye worm) | hypothetical protein | 0.0028 | 0.0913 | 0.1042 |
Loa Loa (eye worm) | hypothetical protein | 0.0009 | 0.0104 | 0.0119 |
Echinococcus multilocularis | acetylcholinesterase | 0.0164 | 0.6671 | 0.942 |
Loa Loa (eye worm) | hypothetical protein | 0.0028 | 0.0913 | 0.1042 |
Brugia malayi | Carboxylesterase family protein | 0.0028 | 0.0913 | 0.1042 |
Loa Loa (eye worm) | hypothetical protein | 0.0028 | 0.0913 | 0.1042 |
Echinococcus multilocularis | histone lysine N methyltransferase SETMAR | 0.0031 | 0.1034 | 0.1426 |
Schistosoma mansoni | family S9 non-peptidase homologue (S09 family) | 0.0028 | 0.0913 | 0.1289 |
Echinococcus granulosus | acetylcholinesterase | 0.0164 | 0.6671 | 0.942 |
Brugia malayi | hypothetical protein | 0.0028 | 0.0913 | 0.1042 |
Schistosoma mansoni | histone-lysine n-methyltransferase setb1 | 0.0031 | 0.1034 | 0.1461 |
Echinococcus granulosus | neuroligin | 0.0028 | 0.0913 | 0.1253 |
Echinococcus multilocularis | Tolloid protein 1 | 0.0021 | 0.0632 | 0.0856 |
Brugia malayi | Carboxylesterase family protein | 0.0028 | 0.0913 | 0.1042 |
Onchocerca volvulus | 0.0028 | 0.0913 | 0.0913 | |
Schistosoma mansoni | histone-lysine n-methyltransferase suv9 | 0.0031 | 0.1034 | 0.1461 |
Brugia malayi | Carboxylesterase family protein | 0.0028 | 0.0913 | 0.1042 |
Echinococcus granulosus | carboxylesterase 5A | 0.0164 | 0.6671 | 0.942 |
Loa Loa (eye worm) | hypothetical protein | 0.0031 | 0.1034 | 0.1182 |
Echinococcus multilocularis | neuroligin | 0.0028 | 0.0913 | 0.1253 |
Schistosoma mansoni | neuroligin 3 (S09 family) | 0.0028 | 0.0913 | 0.1289 |
Echinococcus multilocularis | geminin | 0.0173 | 0.708 | 1 |
Echinococcus multilocularis | BC026374 protein (S09 family) | 0.0028 | 0.0913 | 0.1253 |
Brugia malayi | Carboxylesterase family protein | 0.0028 | 0.0913 | 0.1042 |
Loa Loa (eye worm) | hypothetical protein | 0.0028 | 0.0913 | 0.1042 |
Loa Loa (eye worm) | hypothetical protein | 0.0028 | 0.0913 | 0.1042 |
Loa Loa (eye worm) | pre-SET domain-containing protein family protein | 0.0213 | 0.8755 | 1 |
Onchocerca volvulus | 0.0028 | 0.0913 | 0.0913 | |
Schistosoma mansoni | BC026374 protein (S09 family) | 0.0028 | 0.0913 | 0.1289 |
Onchocerca volvulus | 0.0028 | 0.0913 | 0.0913 | |
Loa Loa (eye worm) | multiple epidermal growth factor-like domains 6 | 0.0007 | 0.0029 | 0.0033 |
Loa Loa (eye worm) | carboxylesterase | 0.0028 | 0.0913 | 0.1042 |
Echinococcus multilocularis | acetylcholinesterase | 0.0164 | 0.6671 | 0.942 |
Loa Loa (eye worm) | acetylcholinesterase 1 | 0.0164 | 0.6671 | 0.762 |
Onchocerca volvulus | 0.0031 | 0.1034 | 0.1034 | |
Loa Loa (eye worm) | hypothetical protein | 0.0164 | 0.6671 | 0.762 |
Loa Loa (eye worm) | hypothetical protein | 0.002 | 0.0596 | 0.0681 |
Loa Loa (eye worm) | hypothetical protein | 0.0164 | 0.6671 | 0.762 |
Brugia malayi | Pre-SET motif family protein | 0.0213 | 0.8755 | 1 |
Plasmodium vivax | SET domain protein, putative | 0.0031 | 0.1034 | 0.5 |
Onchocerca volvulus | 0.0028 | 0.0913 | 0.0913 | |
Echinococcus granulosus | 5'partial|histone lysine N methyltransferase SETDB2 | 0.0029 | 0.0987 | 0.1359 |
Schistosoma mansoni | gliotactin | 0.0028 | 0.0913 | 0.1289 |
Onchocerca volvulus | 0.0028 | 0.0913 | 0.0913 | |
Schistosoma mansoni | family S9 non-peptidase homologue (S09 family) | 0.0028 | 0.0913 | 0.1289 |
Schistosoma mansoni | histone-lysine n-methyltransferase setb1 | 0.0031 | 0.1034 | 0.1461 |
Echinococcus multilocularis | carboxylesterase 5A | 0.0164 | 0.6671 | 0.942 |
Schistosoma mansoni | family S9 non-peptidase homologue (S09 family) | 0.0028 | 0.0913 | 0.1289 |
Schistosoma mansoni | acetylcholinesterase | 0.0028 | 0.0913 | 0.1289 |
Brugia malayi | Carboxylesterase family protein | 0.0164 | 0.6671 | 0.762 |
Brugia malayi | Fibulin-1 precursor | 0.0007 | 0.0029 | 0.0033 |
Echinococcus granulosus | Tolloid protein 1 | 0.0021 | 0.0632 | 0.0856 |
Trichomonas vaginalis | set domain proteins, putative | 0.0242 | 1 | 1 |
Echinococcus granulosus | histone lysine methyltransferase setb | 0.0031 | 0.1034 | 0.1426 |
Echinococcus multilocularis | para nitrobenzyl esterase | 0.0028 | 0.0913 | 0.1253 |
Mycobacterium tuberculosis | POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) | 0.0028 | 0.0913 | 0.5 |
Mycobacterium ulcerans | carboxylesterase, LipT | 0.0028 | 0.0913 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0028 | 0.0913 | 0.1042 |
Schistosoma mansoni | histone-lysine n-methyltransferase setb1 | 0.0031 | 0.1034 | 0.1461 |
Echinococcus multilocularis | histone lysine methyltransferase setb histone lysine methyltransferase eggless | 0.0031 | 0.1034 | 0.1426 |
Loa Loa (eye worm) | hypothetical protein | 0.0007 | 0.0029 | 0.0033 |
Loa Loa (eye worm) | bone morphogenetic protein 1b | 0.0021 | 0.0632 | 0.0722 |
Loa Loa (eye worm) | hypothetical protein | 0.0028 | 0.0913 | 0.1042 |
Brugia malayi | Carboxylesterase family protein | 0.0164 | 0.6671 | 0.762 |
Echinococcus granulosus | geminin | 0.0173 | 0.708 | 1 |
Schistosoma mansoni | hypothetical protein | 0.0173 | 0.708 | 1 |
Schistosoma mansoni | hypothetical protein | 0.0173 | 0.708 | 1 |
Echinococcus granulosus | acetylcholinesterase | 0.0164 | 0.6671 | 0.942 |
Schistosoma mansoni | family S9 non-peptidase homologue (S09 family) | 0.0164 | 0.6671 | 0.9423 |
Echinococcus granulosus | para nitrobenzyl esterase | 0.0028 | 0.0913 | 0.1253 |
Toxoplasma gondii | histone lysine methyltransferase SET/SUV39 | 0.0031 | 0.1034 | 1 |
Brugia malayi | Calcium binding EGF domain containing protein | 0.0007 | 0.0029 | 0.0033 |
Loa Loa (eye worm) | AStacin protease | 0.0013 | 0.0299 | 0.0341 |
Schistosoma mansoni | subfamily M12A unassigned peptidase (M12 family) | 0.0021 | 0.0632 | 0.0893 |
Mycobacterium tuberculosis | Carboxylesterase LipT | 0.0028 | 0.0913 | 0.5 |
Loa Loa (eye worm) | carboxylesterase | 0.0164 | 0.6671 | 0.762 |
Echinococcus granulosus | family S9 non peptidase ue S09 family | 0.0028 | 0.0913 | 0.1253 |
Loa Loa (eye worm) | carboxylesterase | 0.0028 | 0.0913 | 0.1042 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
IC50 (binding) | = 0.89 uM | Inhibition of equine BChE after 20 mins using butyrylthiocholine iodide as a substrate by Ellman's assay | ChEMBL. | 21417225 |
IC50 (binding) | = 2.1 uM | Inhibition of bovine AChE after 20 mins using acetylthiocholine iodide as a substrate by Ellman's assay | ChEMBL. | 21417225 |
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.