Assay Detail
Binding
CHEMBL900099
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Inhibition of human acetylcholinesterase 1
21
Total Activities
21
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Homo sapiens |
| Confidence | 9 — Direct single protein target |
| Curated By | Intermediate |
Publication
Planarity and constraint of the carbonyl groups in 1,2-diones are determinants for selective inhibition of human carboxylesterase 1.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 21 | 6.20 | 6.50 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL52347 | 1,2-NAPHTHOQUINONE | — | 1 | 6.50 |
| CHEMBL433282 | — | — | 1 | 6.07 |
| CHEMBL235289 | — | — | 1 | 6.04 |
| CHEMBL235903 | — | — | 1 | - |
| CHEMBL235490 | — | — | 1 | - |
| CHEMBL2367723 | — | — | 1 | - |
| CHEMBL235931 | — | — | 1 | - |
| CHEMBL398109 | — | — | 1 | - |
| CHEMBL362996 | — | — | 1 | - |
| CHEMBL235504 | — | — | 1 | - |
| CHEMBL235503 | — | — | 1 | - |
| CHEMBL189886 | BENZIL | — | 1 | - |
| CHEMBL235290 | — | — | 1 | - |
| CHEMBL395654 | — | — | 1 | - |
| CHEMBL395653 | ACENAPHTHOQUINONE | — | 1 | - |
| CHEMBL235288 | — | — | 1 | - |
| CHEMBL235287 | — | — | 1 | - |
| CHEMBL395652 | — | — | 1 | - |
| CHEMBL236340 | — | — | 1 | - |
| CHEMBL236337 | — | — | 1 | - |
| CHEMBL51931 | 9,10-PHENANTHRENEQUINONE | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL52347 | 1,2-NAPHTHOQUINONE | Ki | = | 320.0 | nM | 6.50 |
| CHEMBL433282 | — | Ki | = | 850.0 | nM | 6.07 |
| CHEMBL235289 | — | Ki | = | 903.0 | nM | 6.04 |
| CHEMBL235903 | — | Ki | > | 100000.0 | nM | - |
| CHEMBL235490 | — | Ki | > | 100000.0 | nM | - |
| CHEMBL2367723 | — | Ki | > | 100000.0 | nM | - |
| CHEMBL235931 | — | Ki | > | 100000.0 | nM | - |
| CHEMBL398109 | — | Ki | > | 100000.0 | nM | - |
| CHEMBL362996 | — | Ki | > | 100000.0 | nM | - |
| CHEMBL235504 | — | Ki | > | 100000.0 | nM | - |
| CHEMBL235503 | — | Ki | > | 100000.0 | nM | - |
| CHEMBL189886 | BENZIL | Ki | > | 100000.0 | nM | - |
| CHEMBL235290 | — | Ki | > | 100000.0 | nM | - |
| CHEMBL395654 | — | Ki | > | 100000.0 | nM | - |
| CHEMBL395653 | ACENAPHTHOQUINONE | Ki | > | 100000.0 | nM | - |
| CHEMBL235288 | — | Ki | > | 100000.0 | nM | - |
| CHEMBL235287 | — | Ki | > | 100000.0 | nM | - |
| CHEMBL395652 | — | Ki | > | 100000.0 | nM | - |
| CHEMBL236340 | — | Ki | > | 100000.0 | nM | - |
| CHEMBL236337 | — | Ki | > | 100000.0 | nM | - |
| CHEMBL51931 | 9,10-PHENANTHRENEQUINONE | Ki | > | 100000.0 | nM | - |