Assay Detail
Binding
CHEMBL1019598
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Inhibition of human intestinal carboxylesterase after 5 mins
17
Total Activities
17
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Homo sapiens |
| Confidence | 0 — Uncurated / Unknown |
| Curated By | Autocuration |
Publication
Comparison of benzil and trifluoromethyl ketone (TFK)-mediated carboxylesterase inhibition using classical and 3D-quantitative structure-activity relationship analysis.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 17 | 6.10 | 7.82 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL270375 | — | — | 1 | 7.82 |
| CHEMBL86668 | — | — | 1 | 7.66 |
| CHEMBL467450 | — | — | 1 | 7.49 |
| CHEMBL463556 | — | — | 1 | 7.27 |
| CHEMBL467451 | — | — | 1 | 7.10 |
| CHEMBL270374 | — | — | 1 | 6.82 |
| CHEMBL89506 | — | — | 1 | 6.66 |
| CHEMBL440542 | — | — | 1 | 6.25 |
| CHEMBL460809 | — | — | 1 | 6.12 |
| CHEMBL402615 | — | — | 1 | 5.77 |
| CHEMBL464002 | — | — | 1 | 5.72 |
| CHEMBL460806 | — | — | 1 | 5.62 |
| CHEMBL460807 | — | — | 1 | 5.33 |
| CHEMBL449475 | — | — | 1 | 5.04 |
| CHEMBL449775 | — | — | 1 | 4.56 |
| CHEMBL510996 | — | — | 1 | 4.29 |
| CHEMBL460808 | — | — | 1 | 4.17 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL270375 | — | Ki | = | 15.14 | nM | 7.82 |
| CHEMBL86668 | — | Ki | = | 21.88 | nM | 7.66 |
| CHEMBL467450 | — | Ki | = | 32.36 | nM | 7.49 |
| CHEMBL463556 | — | Ki | = | 53.7 | nM | 7.27 |
| CHEMBL467451 | — | Ki | = | 79.43 | nM | 7.10 |
| CHEMBL270374 | — | Ki | = | 151.36 | nM | 6.82 |
| CHEMBL89506 | — | Ki | = | 218.78 | nM | 6.66 |
| CHEMBL440542 | — | Ki | = | 562.34 | nM | 6.25 |
| CHEMBL460809 | — | Ki | = | 758.58 | nM | 6.12 |
| CHEMBL402615 | — | Ki | = | 1698.24 | nM | 5.77 |
| CHEMBL464002 | — | Ki | = | 1905.46 | nM | 5.72 |
| CHEMBL460806 | — | Ki | = | 2398.83 | nM | 5.62 |
| CHEMBL460807 | — | Ki | = | 4677.35 | nM | 5.33 |
| CHEMBL449475 | — | Ki | = | 9120.11 | nM | 5.04 |
| CHEMBL449775 | — | Ki | = | 27542.29 | nM | 4.56 |
| CHEMBL510996 | — | Ki | = | 51286.14 | nM | 4.29 |
| CHEMBL460808 | — | Ki | = | 67608.3 | nM | 4.17 |