Assay Detail
Binding
CHEMBL636512
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Inhibitory activity was calculated for the model Acetylcholinesterase (Expt-1)
4
Total Activities
4
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Torpedo californica |
| Confidence | 9 — Direct single protein target |
| Curated By | Intermediate |
Publication
The simulated binding of (+/-)-2,3-dihydro-5,6-dimethoxy-2-[[1-(phenylmethyl)-4-piperidinyl]meth yl] -1H-inden-1-one hydrochloride (E2020) and related inhibitors to free and acylated acetylcholinesterases and corresponding structure-activity analyses.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 4 | 7.72 | 8.47 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL1678 | DONEPEZIL HYDROCHLORIDE | 4.0 | 1 | 8.47 |
| CHEMBL2093912 | — | — | 1 | 7.76 |
| CHEMBL545317 | — | — | 1 | 7.73 |
| CHEMBL538296 | — | — | 1 | 6.91 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL1678 | DONEPEZIL HYDROCHLORIDE | Ki | = | 3.35 | nM | 8.47 |
| CHEMBL2093912 | — | Ki | = | 17.5 | nM | 7.76 |
| CHEMBL545317 | — | Ki | = | 18.7 | nM | 7.73 |
| CHEMBL538296 | — | Ki | = | 122.0 | nM | 6.91 |