Assay Detail
Binding
CHEMBL1019595
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Inhibition of human intestinal carboxylesterase
31
Total Activities
31
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 | 31 | 7.10 | 8.39 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL193140 | — | — | 1 | 8.39 |
| CHEMBL362996 | — | — | 1 | 8.25 |
| CHEMBL191847 | — | — | 1 | 8.10 |
| CHEMBL191822 | — | — | 1 | 8.05 |
| CHEMBL192474 | — | — | 1 | 7.99 |
| CHEMBL189886 | BENZIL | — | 1 | 7.83 |
| CHEMBL192180 | — | — | 1 | 7.74 |
| CHEMBL192241 | — | — | 1 | 7.67 |
| CHEMBL192252 | — | — | 1 | 7.64 |
| CHEMBL193229 | — | — | 1 | 7.63 |
| CHEMBL192589 | — | — | 1 | 7.51 |
| CHEMBL371858 | — | — | 1 | 7.48 |
| CHEMBL190672 | — | — | 1 | 7.24 |
| CHEMBL192625 | — | — | 1 | 7.22 |
| CHEMBL191513 | — | — | 1 | 7.15 |
| CHEMBL370059 | — | — | 1 | 7.15 |
| CHEMBL503264 | — | — | 1 | 7.14 |
| CHEMBL189162 | — | — | 1 | 7.07 |
| CHEMBL192139 | — | — | 1 | 6.97 |
| CHEMBL435109 | — | — | 1 | 6.86 |
| CHEMBL373345 | — | — | 1 | 6.82 |
| CHEMBL192410 | — | — | 1 | 6.78 |
| CHEMBL365517 | — | — | 1 | 6.68 |
| CHEMBL192592 | — | — | 1 | 6.63 |
| CHEMBL193180 | — | — | 1 | 6.59 |
| CHEMBL365392 | — | — | 1 | 6.45 |
| CHEMBL195713 | — | — | 1 | 6.42 |
| CHEMBL191796 | — | — | 1 | 6.40 |
| CHEMBL365445 | — | — | 1 | 5.98 |
| CHEMBL372716 | — | — | 1 | 5.18 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL193140 | — | Ki | = | 4.074 | nM | 8.39 |
| CHEMBL362996 | — | Ki | = | 5.623 | nM | 8.25 |
| CHEMBL191847 | — | Ki | = | 7.943 | nM | 8.10 |
| CHEMBL191822 | — | Ki | = | 8.913 | nM | 8.05 |
| CHEMBL192474 | — | Ki | = | 10.23 | nM | 7.99 |
| CHEMBL189886 | BENZIL | Ki | = | 14.79 | nM | 7.83 |
| CHEMBL192180 | — | Ki | = | 18.2 | nM | 7.74 |
| CHEMBL192241 | — | Ki | = | 21.38 | nM | 7.67 |
| CHEMBL192252 | — | Ki | = | 22.91 | nM | 7.64 |
| CHEMBL193229 | — | Ki | = | 23.44 | nM | 7.63 |
| CHEMBL192589 | — | Ki | = | 30.9 | nM | 7.51 |
| CHEMBL371858 | — | Ki | = | 33.11 | nM | 7.48 |
| CHEMBL190672 | — | Ki | = | 57.54 | nM | 7.24 |
| CHEMBL192625 | — | Ki | = | 60.26 | nM | 7.22 |
| CHEMBL191513 | — | Ki | = | 70.79 | nM | 7.15 |
| CHEMBL370059 | — | Ki | = | 70.79 | nM | 7.15 |
| CHEMBL503264 | — | Ki | = | 72.44 | nM | 7.14 |
| CHEMBL189162 | — | Ki | = | 85.11 | nM | 7.07 |
| CHEMBL192139 | — | Ki | = | 107.15 | nM | 6.97 |
| CHEMBL435109 | — | Ki | = | 138.04 | nM | 6.86 |
| CHEMBL373345 | — | Ki | = | 151.36 | nM | 6.82 |
| CHEMBL192410 | — | Ki | = | 165.96 | nM | 6.78 |
| CHEMBL365517 | — | Ki | = | 208.93 | nM | 6.68 |
| CHEMBL192592 | — | Ki | = | 234.42 | nM | 6.63 |
| CHEMBL193180 | — | Ki | = | 257.04 | nM | 6.59 |
| CHEMBL365392 | — | Ki | = | 354.81 | nM | 6.45 |
| CHEMBL195713 | — | Ki | = | 380.19 | nM | 6.42 |
| CHEMBL191796 | — | Ki | = | 398.11 | nM | 6.40 |
| CHEMBL365445 | — | Ki | = | 1047.13 | nM | 5.98 |
| CHEMBL372716 | — | Ki | = | 6606.93 | nM | 5.18 |
| CHEMBL371181 | — | Ki | = | 7943.28 | nM | 5.10 |