Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | butyrylcholinesterase | Starlite/ChEMBL | No references |
Homo sapiens | acetylcholinesterase (Yt blood group) | Starlite/ChEMBL | No references |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Brugia malayi | Carboxylesterase family protein | acetylcholinesterase (Yt blood group) | 614 aa | 510 aa | 26.5 % |
Brugia malayi | Carboxylesterase family protein | butyrylcholinesterase | 602 aa | 546 aa | 30.2 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Loa Loa (eye worm) | hypothetical protein | 0.0164 | 0.5 | 0.5 |
Schistosoma mansoni | family S9 non-peptidase homologue (S09 family) | 0.0164 | 0.5 | 0.5 |
Echinococcus multilocularis | acetylcholinesterase | 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 |
Loa Loa (eye worm) | hypothetical protein | 0.0164 | 0.5 | 0.5 |
Loa Loa (eye worm) | carboxylesterase | 0.0164 | 0.5 | 0.5 |
Echinococcus granulosus | acetylcholinesterase | 0.0164 | 0.5 | 0.5 |
Echinococcus granulosus | carboxylesterase 5A | 0.0164 | 0.5 | 0.5 |
Echinococcus multilocularis | acetylcholinesterase | 0.0164 | 0.5 | 0.5 |
Echinococcus multilocularis | carboxylesterase 5A | 0.0164 | 0.5 | 0.5 |
Brugia malayi | Carboxylesterase family protein | 0.0164 | 0.5 | 0.5 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
IC50 (binding) | = 2.04 nM | BindingDB_Patents: Inhibition Assay. The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G. L.; Courtney, K. D.; Anders, B.; Featherstone, R. M. Biochem. Pharmacol. 1961, 7, 88-95).This method of evaluation of the cholinesterase inhibitors activity is based on the fact that acetyl/butyrylcholinesterase interacts with the inhibitor, which prevents the acetyl/butyrylcholine hydrolysis. The inhibitor causes the enzyme activity drop which is dependent on the inhibitor concentration. The enzyme unbound with the inhibitor is able to hydrolyze acetyl/butyrylthiocholine (ASCh/BSCh). The amount of the hydrolyzed ASCh/BSCh is measured indirectly, by quantification of the product of its reaction with DTNB (5,5â²-dithio-bis-2-nitrobenzoic acid). Ellman's method relies therefore on the spectrophotometric quantification of product of the reaction between acylthiocholine and DTNB. | ChEMBL. | No reference |
IC50 (binding) | = 178.38 nM | Inhibition Assay | BINDINGDB. | 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.