Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Electrophorus electricus | Acetylcholinesterase | Starlite/ChEMBL | References |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Onchocerca volvulus | Molybdopterin synthase catalytic subunit homolog | Acetylcholinesterase | 633 aa | 576 aa | 28.8 % |
Loa Loa (eye worm) | hypothetical protein | Acetylcholinesterase | 633 aa | 576 aa | 23.4 % |
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 | 597 aa | 25.1 % |
Echinococcus multilocularis | BC026374 protein (S09 family) | Acetylcholinesterase | 633 aa | 690 aa | 32.3 % |
Brugia malayi | Carboxylesterase family protein | Acetylcholinesterase | 633 aa | 620 aa | 28.4 % |
Brugia malayi | Carboxylesterase family protein | Acetylcholinesterase | 633 aa | 517 aa | 25.1 % |
Echinococcus multilocularis | neuroligin | Acetylcholinesterase | 633 aa | 507 aa | 23.9 % |
Onchocerca volvulus | Acetylcholinesterase | 633 aa | 648 aa | 25.3 % | |
Echinococcus granulosus | BC026374 protein S09 family | Acetylcholinesterase | 633 aa | 690 aa | 31.7 % |
Drosophila melanogaster | CG10175 gene product from transcript CG10175-RE | Acetylcholinesterase | 633 aa | 549 aa | 30.4 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Loa Loa (eye worm) | carboxylesterase | 0.0082 | 0.5 | 0.5 |
Schistosoma mansoni | family S9 non-peptidase homologue (S09 family) | 0.0082 | 0.5 | 0.5 |
Loa Loa (eye worm) | acetylcholinesterase 1 | 0.0082 | 0.5 | 0.5 |
Echinococcus multilocularis | carboxylesterase 5A | 0.0082 | 0.5 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0082 | 0.5 | 0.5 |
Echinococcus granulosus | carboxylesterase 5A | 0.0082 | 0.5 | 0.5 |
Brugia malayi | Carboxylesterase family protein | 0.0082 | 0.5 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0082 | 0.5 | 0.5 |
Echinococcus granulosus | acetylcholinesterase | 0.0082 | 0.5 | 0.5 |
Echinococcus multilocularis | acetylcholinesterase | 0.0082 | 0.5 | 0.5 |
Echinococcus granulosus | acetylcholinesterase | 0.0082 | 0.5 | 0.5 |
Echinococcus multilocularis | acetylcholinesterase | 0.0082 | 0.5 | 0.5 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
IC50 (binding) | = 11.7 uM | Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate preincubated for 20mins before the addition of substrate by Ellman's method | ChEMBL. | 26383128 |
IC50 (functional) | = 19.7 uM | Cytotoxicity against human MCF7 cells after 96 hrs by SRB assay | ChEMBL. | 24161703 |
IC50 (ADMET) | = 26.1 uM | Cytotoxicity against mouse NIH/3T3 cells after 96 hrs by SRB assay | ChEMBL. | 24161703 |
IC50 (functional) | = 26.3 uM | Cytotoxicity against human 8505C cells after 96 hrs by SRB assay | ChEMBL. | 24161703 |
Ki (binding) | = 6.76 uM | Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate preincubated for 20mins before the addition of substrate by Ellman's method | ChEMBL. | 26383128 |
Ki (binding) | > 20 uM | Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 20mins before the addition of substrate by Ellman's method | ChEMBL. | 26383128 |
Kiuc (binding) | = 32.51 uM | Mixed type inhibition of Electrophorus electricus AChE by Lineweaver-Burk plot analysis | ChEMBL. | 26383128 |
Species name | Source | Reference | Is orphan |
---|---|---|---|
Homo sapiens | ChEMBL23 | 24161703 |
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.