Assay Detail
Binding
CHEMBL1019599
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Inhibition of human carboxylesterase 1 after 5 mins
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 | 5.91 | 7.15 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL270375 | — | — | 1 | 7.15 |
| CHEMBL460809 | — | — | 1 | 6.92 |
| CHEMBL270374 | — | — | 1 | 6.89 |
| CHEMBL86668 | — | — | 1 | 6.82 |
| CHEMBL89506 | — | — | 1 | 6.72 |
| CHEMBL440542 | — | — | 1 | 6.48 |
| CHEMBL467450 | — | — | 1 | 6.13 |
| CHEMBL467451 | — | — | 1 | 6.10 |
| CHEMBL402615 | — | — | 1 | 6.10 |
| CHEMBL460807 | — | — | 1 | 5.82 |
| CHEMBL463556 | — | — | 1 | 5.72 |
| CHEMBL449475 | — | — | 1 | 5.48 |
| CHEMBL464002 | — | — | 1 | 5.28 |
| CHEMBL449775 | — | — | 1 | 5.01 |
| CHEMBL510996 | — | — | 1 | 4.86 |
| CHEMBL460806 | — | — | 1 | 4.83 |
| CHEMBL460808 | — | — | 1 | 4.10 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL270375 | — | Ki | = | 70.79 | nM | 7.15 |
| CHEMBL460809 | — | Ki | = | 120.23 | nM | 6.92 |
| CHEMBL270374 | — | Ki | = | 128.82 | nM | 6.89 |
| CHEMBL86668 | — | Ki | = | 151.36 | nM | 6.82 |
| CHEMBL89506 | — | Ki | = | 190.55 | nM | 6.72 |
| CHEMBL440542 | — | Ki | = | 331.13 | nM | 6.48 |
| CHEMBL467450 | — | Ki | = | 741.31 | nM | 6.13 |
| CHEMBL467451 | — | Ki | = | 794.33 | nM | 6.10 |
| CHEMBL402615 | — | Ki | = | 794.33 | nM | 6.10 |
| CHEMBL460807 | — | Ki | = | 1513.56 | nM | 5.82 |
| CHEMBL463556 | — | Ki | = | 1905.46 | nM | 5.72 |
| CHEMBL449475 | — | Ki | = | 3311.31 | nM | 5.48 |
| CHEMBL464002 | — | Ki | = | 5248.07 | nM | 5.28 |
| CHEMBL449775 | — | Ki | = | 9772.37 | nM | 5.01 |
| CHEMBL510996 | — | Ki | = | 13803.84 | nM | 4.86 |
| CHEMBL460806 | — | Ki | = | 14791.08 | nM | 4.83 |
| CHEMBL460808 | — | Ki | = | 79432.82 | nM | 4.10 |