Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | acetylcholinesterase (Yt blood group) | Starlite/ChEMBL | References |
Homo sapiens | beta-site APP-cleaving enzyme 1 | Starlite/ChEMBL | References |
Homo sapiens | butyrylcholinesterase | Starlite/ChEMBL | 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 % |
Plasmodium falciparum | plasmepsin VII | beta-site APP-cleaving enzyme 1 | 401 aa | 352 aa | 21.3 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Loa Loa (eye worm) | hypothetical protein | 0.0246 | 0.3559 | 1 |
Schistosoma mansoni | subfamily S1A unassigned peptidase (S01 family) | 0.0238 | 0.3382 | 0.3382 |
Schistosoma mansoni | subfamily S1A unassigned peptidase (S01 family) | 0.0238 | 0.3382 | 0.3382 |
Echinococcus granulosus | carboxylesterase 5A | 0.0246 | 0.3559 | 1 |
Echinococcus multilocularis | acetylcholinesterase | 0.0246 | 0.3559 | 1 |
Loa Loa (eye worm) | acetylcholinesterase 1 | 0.0246 | 0.3559 | 1 |
Echinococcus granulosus | acetylcholinesterase | 0.0246 | 0.3559 | 1 |
Echinococcus multilocularis | acetylcholinesterase | 0.0246 | 0.3559 | 1 |
Brugia malayi | Carboxylesterase family protein | 0.0246 | 0.3559 | 1 |
Trypanosoma cruzi | hypothetical protein, conserved | 0.0093 | 0 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0238 | 0.3382 | 0.9503 |
Leishmania major | hypothetical protein, conserved | 0.0093 | 0 | 0.5 |
Toxoplasma gondii | kringle domain-containing protein | 0.0093 | 0 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0246 | 0.3559 | 1 |
Brugia malayi | Carboxylesterase family protein | 0.0246 | 0.3559 | 1 |
Brugia malayi | Trypsin family protein | 0.0238 | 0.3382 | 0.9503 |
Echinococcus multilocularis | carboxylesterase 5A | 0.0246 | 0.3559 | 1 |
Loa Loa (eye worm) | carboxylesterase | 0.0246 | 0.3559 | 1 |
Echinococcus granulosus | acetylcholinesterase | 0.0246 | 0.3559 | 1 |
Plasmodium vivax | cysteine repeat modular protein 1, putative | 0.0093 | 0 | 0.5 |
Onchocerca volvulus | 0.0238 | 0.3382 | 1 | |
Schistosoma mansoni | family S9 non-peptidase homologue (S09 family) | 0.0246 | 0.3559 | 0.3559 |
Plasmodium falciparum | cysteine repeat modular protein 1 | 0.0093 | 0 | 0.5 |
Onchocerca volvulus | 0.0208 | 0.2671 | 0.7897 | |
Loa Loa (eye worm) | hypothetical protein | 0.0238 | 0.3382 | 0.9503 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
IC50 (binding) | = 17.4 nM | Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 20 mins by Ellman's method | ChEMBL. | 24568372 |
IC50 (binding) | = 645 nM | Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins by Ellman's method | ChEMBL. | 24568372 |
IC50 (binding) | = 1200 nM | Inhibition of human recombinant BACE1 using methoxycoumarin-Ser-Glu-Val-Asn-Leu-Asp-Ala-Glu-Phe-Lys-dinitrophenyl as substrate preincubated for 1 hr by FRET assay | ChEMBL. | 24568372 |
Inhibition (binding) | = 35.3 % | Inhibition of amyloid beta-42 (unknown origin) aggregation assessed as amyloid fibril formation at 10 uM after 24 hrs by thioflavin T fluorescence method | ChEMBL. | 24568372 |
Inhibition (binding) | = 38.2 % | Inhibition of human recombinant AChE-mediated amyloid beta-40 aggregation assessed as amyloid fibril formation at 100 uM after 24 hrs by thioflavin T fluorescence method | ChEMBL. | 24568372 |
Inhibition (binding) | = 40.7 % | Inhibition of aggregation of amyloid beta-42 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as amyloid fibril formation at 10 uM after 24 hrs by thioflavin S fluorescence method | ChEMBL. | 24568372 |
Inhibition (binding) | = 46.3 % | Inhibition of aggregation of tau protein (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as amyloid fibril formation at 10 uM after 24 hrs by thioflavin S fluorescence method | ChEMBL. | 24568372 |
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.
1 literature reference was collected for this gene.