Assay Detail
Binding
CHEMBL1019602
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Inhibition of human carboxylesterase 1 after 24 hrs
17
Total Activities
17
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
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 | 8.78 | 9.52 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL467451 | — | — | 1 | 9.52 |
| CHEMBL467450 | — | — | 1 | 9.40 |
| CHEMBL463556 | — | — | 1 | 9.40 |
| CHEMBL464002 | — | — | 1 | 9.30 |
| CHEMBL460807 | — | — | 1 | 9.22 |
| CHEMBL460806 | — | — | 1 | 9.22 |
| CHEMBL449775 | — | — | 1 | 9.15 |
| CHEMBL449475 | — | — | 1 | 9.00 |
| CHEMBL86668 | — | — | 1 | 8.64 |
| CHEMBL460808 | — | — | 1 | 8.48 |
| CHEMBL270374 | — | — | 1 | 8.40 |
| CHEMBL89506 | — | — | 1 | 8.38 |
| CHEMBL440542 | — | — | 1 | 8.28 |
| CHEMBL402615 | — | — | 1 | 8.27 |
| CHEMBL510996 | — | — | 1 | 8.22 |
| CHEMBL460809 | — | — | 1 | 8.19 |
| CHEMBL270375 | — | — | 1 | 8.13 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL467451 | — | Ki | = | 0.302 | nM | 9.52 |
| CHEMBL467450 | — | Ki | = | 0.3981 | nM | 9.40 |
| CHEMBL463556 | — | Ki | = | 0.3981 | nM | 9.40 |
| CHEMBL464002 | — | Ki | = | 0.5012 | nM | 9.30 |
| CHEMBL460807 | — | Ki | = | 0.6026 | nM | 9.22 |
| CHEMBL460806 | — | Ki | = | 0.6026 | nM | 9.22 |
| CHEMBL449775 | — | Ki | = | 0.7079 | nM | 9.15 |
| CHEMBL449475 | — | Ki | = | 1.0 | nM | 9.00 |
| CHEMBL86668 | — | Ki | = | 2.291 | nM | 8.64 |
| CHEMBL460808 | — | Ki | = | 3.311 | nM | 8.48 |
| CHEMBL270374 | — | Ki | = | 3.981 | nM | 8.40 |
| CHEMBL89506 | — | Ki | = | 4.169 | nM | 8.38 |
| CHEMBL440542 | — | Ki | = | 5.248 | nM | 8.28 |
| CHEMBL402615 | — | Ki | = | 5.37 | nM | 8.27 |
| CHEMBL510996 | — | Ki | = | 6.026 | nM | 8.22 |
| CHEMBL460809 | — | Ki | = | 6.457 | nM | 8.19 |
| CHEMBL270375 | — | Ki | = | 7.413 | nM | 8.13 |