Assay Detail
Binding
CHEMBL823860
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Inhibition of carboxylesterase in murine liver microsomes.
21
Total Activities
21
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Tissue | Liver |
| Subcellular | Microsome |
| Confidence | 8 — Homologous 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 | 6.58 | 9.30 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL155514 | — | — | 1 | 9.30 |
| CHEMBL440542 | — | — | 1 | 7.90 |
| CHEMBL155513 | — | — | 1 | 7.88 |
| CHEMBL153080 | — | — | 1 | 7.65 |
| CHEMBL421992 | — | — | 1 | 6.92 |
| CHEMBL153015 | — | — | 1 | 6.79 |
| CHEMBL155396 | — | — | 1 | 6.35 |
| CHEMBL155621 | — | — | 1 | 6.35 |
| CHEMBL153177 | — | — | 1 | 6.24 |
| CHEMBL152225 | — | — | 1 | 4.80 |
| CHEMBL152843 | — | — | 1 | 4.42 |
| CHEMBL152698 | — | — | 1 | 4.35 |
| CHEMBL153107 | — | — | 1 | - |
| CHEMBL152577 | — | — | 1 | - |
| CHEMBL150821 | — | — | 1 | - |
| CHEMBL152376 | — | — | 1 | - |
| CHEMBL153601 | — | — | 1 | - |
| CHEMBL153556 | — | — | 1 | - |
| CHEMBL356917 | — | — | 1 | - |
| CHEMBL150648 | — | — | 1 | - |
| CHEMBL47127 | 2-DECANONE | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL155514 | — | IC50 | = | 0.5012 | nM | 9.30 |
| CHEMBL440542 | — | IC50 | = | 12.59 | nM | 7.90 |
| CHEMBL155513 | — | IC50 | = | 13.18 | nM | 7.88 |
| CHEMBL153080 | — | IC50 | = | 22.39 | nM | 7.65 |
| CHEMBL421992 | — | IC50 | = | 120.23 | nM | 6.92 |
| CHEMBL153015 | — | IC50 | = | 162.18 | nM | 6.79 |
| CHEMBL155396 | — | IC50 | = | 446.68 | nM | 6.35 |
| CHEMBL155621 | — | IC50 | = | 446.68 | nM | 6.35 |
| CHEMBL153177 | — | IC50 | = | 575.44 | nM | 6.24 |
| CHEMBL152225 | — | IC50 | = | 15848.93 | nM | 4.80 |
| CHEMBL152843 | — | IC50 | = | 38018.94 | nM | 4.42 |
| CHEMBL152698 | — | IC50 | = | 44668.36 | nM | 4.35 |
| CHEMBL153107 | — | IC50 | = | 954992.59 | nM | - |
| CHEMBL152577 | — | IC50 | = | 478630.09 | nM | - |
| CHEMBL150821 | — | IC50 | = | 301995.17 | nM | - |
| CHEMBL152376 | — | IC50 | = | 112201.85 | nM | - |
| CHEMBL153601 | — | IC50 | = | 1778279.41 | nM | - |
| CHEMBL153556 | — | IC50 | = | 426579.52 | nM | - |
| CHEMBL356917 | — | IC50 | = | 2041737.94 | nM | - |
| CHEMBL150648 | — | IC50 | = | 14791083.88 | nM | - |
| CHEMBL47127 | 2-DECANONE | IC50 | = | 169824365.25 | nM | - |