Assay Detail
Binding
CHEMBL657981
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In vitro inhibition of carboxylesterase in human liver microsomes.
21
Total Activities
21
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Homo sapiens |
| Tissue | Liver |
| Subcellular | Microsome |
| Confidence | 9 — Direct single protein target |
| Curated By | Expert |
Publication
Use of ab initio calculations to predict the biological potency of carboxylesterase inhibitors.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 21 | 6.56 | 9.75 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL155514 | — | — | 1 | 9.75 |
| CHEMBL155513 | — | — | 1 | 8.47 |
| CHEMBL153080 | — | — | 1 | 8.26 |
| CHEMBL440542 | — | — | 1 | 8.16 |
| CHEMBL153015 | — | — | 1 | 7.49 |
| CHEMBL155621 | — | — | 1 | 7.33 |
| CHEMBL421992 | — | — | 1 | 7.32 |
| CHEMBL153177 | — | — | 1 | 7.00 |
| CHEMBL155396 | — | — | 1 | 6.51 |
| CHEMBL152225 | — | — | 1 | 5.69 |
| CHEMBL152843 | — | — | 1 | 5.36 |
| CHEMBL152698 | — | — | 1 | 5.30 |
| CHEMBL152376 | — | — | 1 | 4.93 |
| CHEMBL153107 | — | — | 1 | 4.55 |
| CHEMBL150821 | — | — | 1 | 4.54 |
| CHEMBL153556 | — | — | 1 | 4.26 |
| CHEMBL153601 | — | — | 1 | - |
| CHEMBL356917 | — | — | 1 | - |
| CHEMBL150648 | — | — | 1 | - |
| CHEMBL152577 | — | — | 1 | - |
| CHEMBL47127 | 2-DECANONE | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL155514 | — | IC50 | = | 0.1778 | nM | 9.75 |
| CHEMBL155513 | — | IC50 | = | 3.388 | nM | 8.47 |
| CHEMBL153080 | — | IC50 | = | 5.495 | nM | 8.26 |
| CHEMBL440542 | — | IC50 | = | 6.918 | nM | 8.16 |
| CHEMBL153015 | — | IC50 | = | 32.36 | nM | 7.49 |
| CHEMBL155621 | — | IC50 | = | 46.77 | nM | 7.33 |
| CHEMBL421992 | — | IC50 | = | 47.86 | nM | 7.32 |
| CHEMBL153177 | — | IC50 | = | 100.0 | nM | 7.00 |
| CHEMBL155396 | — | IC50 | = | 309.03 | nM | 6.51 |
| CHEMBL152225 | — | IC50 | = | 2041.74 | nM | 5.69 |
| CHEMBL152843 | — | IC50 | = | 4365.16 | nM | 5.36 |
| CHEMBL152698 | — | IC50 | = | 5011.87 | nM | 5.30 |
| CHEMBL152376 | — | IC50 | = | 11748.98 | nM | 4.93 |
| CHEMBL153107 | — | IC50 | = | 28183.83 | nM | 4.55 |
| CHEMBL150821 | — | IC50 | = | 28840.32 | nM | 4.54 |
| CHEMBL153556 | — | IC50 | = | 54954.09 | nM | 4.26 |
| CHEMBL153601 | — | IC50 | = | 141253.75 | nM | - |
| CHEMBL356917 | — | IC50 | = | 158489.32 | nM | - |
| CHEMBL150648 | — | IC50 | = | 933254.3 | nM | - |
| CHEMBL152577 | — | IC50 | = | 104712.85 | nM | - |
| CHEMBL47127 | 2-DECANONE | IC50 | = | 8511380.38 | nM | - |