Assay Detail
Binding
CHEMBL1019596
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Inhibition of human carboxylesterase 1
30
Total Activities
30
Compounds Tested
2
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 | 29 | 6.55 | 8.10 |
| pKi | 1 | - | - |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL362996 | — | — | 1 | 8.10 |
| CHEMBL190672 | — | — | 1 | 7.52 |
| CHEMBL189886 | BENZIL | — | 1 | 7.35 |
| CHEMBL192180 | — | — | 1 | 7.32 |
| CHEMBL193229 | — | — | 1 | 7.13 |
| CHEMBL192241 | — | — | 1 | 7.11 |
| CHEMBL193140 | — | — | 1 | 7.00 |
| CHEMBL373345 | — | — | 1 | 6.90 |
| CHEMBL371858 | — | — | 1 | 6.90 |
| CHEMBL192252 | — | — | 1 | 6.80 |
| CHEMBL192474 | — | — | 1 | 6.76 |
| CHEMBL192139 | — | — | 1 | 6.74 |
| CHEMBL192592 | — | — | 1 | 6.68 |
| CHEMBL192589 | — | — | 1 | 6.67 |
| CHEMBL365445 | — | — | 1 | 6.67 |
| CHEMBL192410 | — | — | 1 | 6.64 |
| CHEMBL189162 | — | — | 1 | 6.59 |
| CHEMBL191847 | — | — | 1 | 6.53 |
| CHEMBL372716 | — | — | 1 | 6.44 |
| CHEMBL193180 | — | — | 1 | 6.43 |
| CHEMBL370059 | — | — | 1 | 6.28 |
| CHEMBL192625 | — | — | 1 | 6.27 |
| CHEMBL371181 | — | — | 1 | 5.93 |
| CHEMBL435109 | — | — | 1 | 5.81 |
| CHEMBL365392 | — | — | 1 | 5.78 |
| CHEMBL195713 | — | — | 1 | 5.77 |
| CHEMBL191822 | — | — | 1 | 5.48 |
| CHEMBL191513 | — | — | 1 | 5.47 |
| CHEMBL191796 | — | — | 1 | 4.74 |
| CHEMBL365517 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL362996 | — | Ki | = | 7.943 | nM | 8.10 |
| CHEMBL190672 | — | Ki | = | 30.2 | nM | 7.52 |
| CHEMBL189886 | BENZIL | Ki | = | 44.67 | nM | 7.35 |
| CHEMBL192180 | — | Ki | = | 47.86 | nM | 7.32 |
| CHEMBL193229 | — | Ki | = | 74.13 | nM | 7.13 |
| CHEMBL192241 | — | Ki | = | 77.62 | nM | 7.11 |
| CHEMBL193140 | — | Ki | = | 100.0 | nM | 7.00 |
| CHEMBL373345 | — | Ki | = | 125.89 | nM | 6.90 |
| CHEMBL371858 | — | Ki | = | 125.89 | nM | 6.90 |
| CHEMBL192252 | — | Ki | = | 158.49 | nM | 6.80 |
| CHEMBL192474 | — | Ki | = | 173.78 | nM | 6.76 |
| CHEMBL192139 | — | Ki | = | 181.97 | nM | 6.74 |
| CHEMBL192592 | — | Ki | = | 208.93 | nM | 6.68 |
| CHEMBL192589 | — | Ki | = | 213.8 | nM | 6.67 |
| CHEMBL365445 | — | Ki | = | 213.8 | nM | 6.67 |
| CHEMBL192410 | — | Ki | = | 229.09 | nM | 6.64 |
| CHEMBL189162 | — | Ki | = | 257.04 | nM | 6.59 |
| CHEMBL191847 | — | Ki | = | 295.12 | nM | 6.53 |
| CHEMBL372716 | — | Ki | = | 363.08 | nM | 6.44 |
| CHEMBL193180 | — | Ki | = | 371.54 | nM | 6.43 |
| CHEMBL370059 | — | Ki | = | 524.81 | nM | 6.28 |
| CHEMBL192625 | — | Ki | = | 537.03 | nM | 6.27 |
| CHEMBL371181 | — | Ki | = | 1174.9 | nM | 5.93 |
| CHEMBL435109 | — | Ki | = | 1548.82 | nM | 5.81 |
| CHEMBL365392 | — | Ki | = | 1659.59 | nM | 5.78 |
| CHEMBL195713 | — | Ki | = | 1698.24 | nM | 5.77 |
| CHEMBL191822 | — | Ki | = | 3311.31 | nM | 5.48 |
| CHEMBL191513 | — | Ki | = | 3388.44 | nM | 5.47 |
| CHEMBL191796 | — | Ki | = | 18197.01 | nM | 4.74 |
| CHEMBL365517 | — | pKi | - | — | - |