Assay Detail
Binding
CHEMBL827862
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Inhibitory activity towards acetylcholine esterase (AChE)
19
Total Activities
19
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Torpedo californica |
| Confidence | 0 — Uncurated / Unknown |
| Curated By | Autocuration |
Publication
Efficient method for high-throughput virtual screening based on flexible docking: discovery of novel acetylcholinesterase inhibitors.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 19 | 5.34 | 6.44 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL94 | PHYSOSTIGMINE | 3.0 | 1 | 6.44 |
| CHEMBL427342 | IMIDOCARB | 2.0 | 1 | 6.23 |
| CHEMBL185896 | — | — | 1 | 6.21 |
| CHEMBL325109 | CLEBOPRIDE | 2.0 | 1 | 6.05 |
| CHEMBL362579 | — | — | 1 | 5.89 |
| CHEMBL189870 | — | — | 1 | 5.60 |
| CHEMBL360186 | — | — | 1 | 5.58 |
| CHEMBL187030 | — | — | 1 | 5.54 |
| CHEMBL188019 | — | — | 1 | 5.39 |
| CHEMBL363323 | — | — | 1 | 5.17 |
| CHEMBL186896 | — | — | 1 | 5.10 |
| CHEMBL189764 | — | — | 1 | 5.07 |
| CHEMBL186131 | — | — | 1 | 4.89 |
| CHEMBL189875 | — | — | 1 | 4.85 |
| CHEMBL187017 | — | — | 1 | 4.82 |
| CHEMBL186349 | — | — | 1 | 4.80 |
| CHEMBL187370 | — | — | 1 | 4.66 |
| CHEMBL186400 | — | — | 1 | 4.57 |
| CHEMBL36327 | EPICATECHIN GALLATE | — | 1 | 4.55 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL94 | PHYSOSTIGMINE | IC50 | = | 360.0 | nM | 6.44 |
| CHEMBL427342 | IMIDOCARB | IC50 | = | 590.0 | nM | 6.23 |
| CHEMBL185896 | — | IC50 | = | 620.0 | nM | 6.21 |
| CHEMBL325109 | CLEBOPRIDE | IC50 | = | 890.0 | nM | 6.05 |
| CHEMBL362579 | — | IC50 | = | 1300.0 | nM | 5.89 |
| CHEMBL189870 | — | IC50 | = | 2500.0 | nM | 5.60 |
| CHEMBL360186 | — | IC50 | = | 2600.0 | nM | 5.58 |
| CHEMBL187030 | — | IC50 | = | 2900.0 | nM | 5.54 |
| CHEMBL188019 | — | IC50 | = | 4100.0 | nM | 5.39 |
| CHEMBL363323 | — | IC50 | = | 6700.0 | nM | 5.17 |
| CHEMBL186896 | — | IC50 | = | 8000.0 | nM | 5.10 |
| CHEMBL189764 | — | IC50 | = | 8500.0 | nM | 5.07 |
| CHEMBL186131 | — | IC50 | = | 13000.0 | nM | 4.89 |
| CHEMBL189875 | — | IC50 | = | 14000.0 | nM | 4.85 |
| CHEMBL187017 | — | IC50 | = | 15000.0 | nM | 4.82 |
| CHEMBL186349 | — | IC50 | = | 16000.0 | nM | 4.80 |
| CHEMBL187370 | — | IC50 | = | 22000.0 | nM | 4.66 |
| CHEMBL186400 | — | IC50 | = | 27000.0 | nM | 4.57 |
| CHEMBL36327 | EPICATECHIN GALLATE | IC50 | = | 28000.0 | nM | 4.55 |