Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Equus caballus | Butyrylcholinesterase | Starlite/ChEMBL | References |
Homo sapiens | acetylcholinesterase (Yt blood group) | Starlite/ChEMBL | References |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Onchocerca volvulus | Molybdopterin synthase catalytic subunit homolog | Butyrylcholinesterase | 602 aa | 560 aa | 29.3 % |
Echinococcus multilocularis | neuroligin | Butyrylcholinesterase | 602 aa | 493 aa | 26.0 % |
Schistosoma mansoni | gliotactin | Butyrylcholinesterase | 602 aa | 587 aa | 28.1 % |
Schistosoma mansoni | family S9 non-peptidase homologue (S09 family) | Butyrylcholinesterase | 602 aa | 590 aa | 25.3 % |
Echinococcus granulosus | neuroligin | Butyrylcholinesterase | 602 aa | 492 aa | 24.2 % |
Brugia malayi | Carboxylesterase family protein | acetylcholinesterase (Yt blood group) | 614 aa | 510 aa | 26.5 % |
Onchocerca volvulus | Carnitine O-palmitoyltransferase 2, mitochondrial homolog | Butyrylcholinesterase | 602 aa | 554 aa | 35.9 % |
Drosophila melanogaster | CG10175 gene product from transcript CG10175-RE | Butyrylcholinesterase | 602 aa | 547 aa | 29.4 % |
Echinococcus granulosus | BC026374 protein S09 family | Butyrylcholinesterase | 602 aa | 649 aa | 34.2 % |
Onchocerca volvulus | Butyrylcholinesterase | 602 aa | 578 aa | 25.4 % | |
Loa Loa (eye worm) | hypothetical protein | Butyrylcholinesterase | 602 aa | 574 aa | 26.3 % |
Brugia malayi | Carboxylesterase family protein | Butyrylcholinesterase | 602 aa | 549 aa | 29.5 % |
Loa Loa (eye worm) | hypothetical protein | Butyrylcholinesterase | 602 aa | 573 aa | 26.2 % |
Onchocerca volvulus | Putative nuclear protein | Butyrylcholinesterase | 602 aa | 573 aa | 41.4 % |
Onchocerca volvulus | Butyrylcholinesterase | 602 aa | 551 aa | 30.1 % | |
Onchocerca volvulus | Butyrylcholinesterase | 602 aa | 587 aa | 27.1 % | |
Echinococcus multilocularis | BC026374 protein (S09 family) | Butyrylcholinesterase | 602 aa | 636 aa | 34.9 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Echinococcus granulosus | acetylcholinesterase | 0.0164 | 0.5 | 0.5 |
Echinococcus multilocularis | acetylcholinesterase | 0.0164 | 0.5 | 0.5 |
Loa Loa (eye worm) | acetylcholinesterase 1 | 0.0164 | 0.5 | 0.5 |
Schistosoma mansoni | family S9 non-peptidase homologue (S09 family) | 0.0164 | 0.5 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 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 |
Echinococcus multilocularis | acetylcholinesterase | 0.0164 | 0.5 | 0.5 |
Echinococcus granulosus | carboxylesterase 5A | 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 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
IC50 (binding) | = 1.8 uM | In vitro inhibitory concentration against purified Acetylcholinesterase of human erythrocytes; value ranges from 1.52-2.21 | ChEMBL. | 12431053 |
IC50 (binding) | = 1.8 uM | In vitro inhibitory concentration against purified Acetylcholinesterase of human erythrocytes; value ranges from 1.52-2.21 | ChEMBL. | 12431053 |
IC50 (binding) | = 2.34 uM | In vitro inhibitory concentration against Butyrylcholinesterase of horse serum; value ranges from 1.44-5.39 | ChEMBL. | 12431053 |
IC50 (binding) | = 2.34 uM | In vitro inhibitory concentration against Butyrylcholinesterase of horse serum; value ranges from 1.44-5.39 | ChEMBL. | 12431053 |
IC50 (binding) | > 1000 uM | In vitro inhibitory concentration against Monoamine oxidase A of rat brain homogenates | ChEMBL. | 12431053 |
IC50 (binding) | > 1000 uM | In vitro inhibitory concentration against Monoamine oxidase B of rat brain homogenates; value ranges from | ChEMBL. | 12431053 |
IC50 (binding) | > 1000 uM | In vitro inhibitory concentration against Monoamine oxidase A of rat brain homogenates | ChEMBL. | 12431053 |
IC50 (binding) | > 1000 uM | In vitro inhibitory concentration against Monoamine oxidase B of rat brain homogenates; value ranges from | ChEMBL. | 12431053 |
K obs (ADMET) | = 21 min-1 | Pseudo-first order rate constant of the compound for carbamoylation of ACHE at 50 (microM) concentration | ChEMBL. | 12431053 |
K obs (ADMET) | = 30 min-1 | Pseudo-first order rate constant of the compound for carbamoylation of ACHE at 100 (microM) concentration | ChEMBL. | 12431053 |
K obs (ADMET) | = 39 min-1 | Pseudo-first order rate constant of the compound for carbamoylation of ACHE at 200 (microM) concentration | ChEMBL. | 12431053 |
K obs (ADMET) | = 48 min-1 | Pseudo-first order rate constant of the compound for carbamoylation of ACHE at 300 (microM) concentration | ChEMBL. | 12431053 |
K obs (ADMET) | = 68 min-1 | Pseudo-first order rate constant of the compound for carbamoylation of ACHE at 400 (microM) concentration | ChEMBL. | 12431053 |
Ki (ADMET) | = 59 M-1 min-1 | Bimolecular rate constant of the compound for carbamoylation of ACHE | ChEMBL. | 12431053 |
Ratio (binding) | = 0.77 | Ratio of the IC50 value against AChE of human erythrocytes to that of BuChE of horse serum | ChEMBL. | 12431053 |
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.