Assay Detail
Binding
CHEMBL3777369
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Inhibition of CE2 in human liver microsomes using fluorescein diacetate as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins by LC-UV analysis
17
Total Activities
17
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Homo sapiens |
| Tissue | Liver |
| Subcellular | Microsomes |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Publication
Design, synthesis, and structure-activity relationship study of glycyrrhetinic acid derivatives as potent and selective inhibitors against human carboxylesterase 2.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 17 | 5.31 | 7.70 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL3774603 | — | — | 1 | 7.70 |
| CHEMBL2151605 | — | — | 1 | 6.18 |
| CHEMBL3775320 | — | — | 1 | 5.47 |
| CHEMBL3775118 | — | — | 1 | 5.40 |
| CHEMBL3775391 | — | — | 1 | 5.40 |
| CHEMBL1551302 | BAVACHININ A | — | 1 | 5.37 |
| CHEMBL1271483 | — | — | 1 | 5.25 |
| CHEMBL1271536 | — | — | 1 | 5.24 |
| CHEMBL1231178 | — | — | 1 | 5.21 |
| CHEMBL487933 | — | — | 1 | 5.16 |
| CHEMBL1271200 | — | — | 1 | 5.13 |
| CHEMBL3775916 | — | — | 1 | 4.85 |
| CHEMBL3775913 | — | — | 1 | 4.68 |
| CHEMBL207413 | ACETOXOLONE | -1.0 | 1 | 4.39 |
| CHEMBL230006 | ENOXOLONE | 2.0 | 1 | 4.16 |
| CHEMBL493512 | — | — | 1 | - |
| CHEMBL3775481 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL3774603 | — | IC50 | = | 20.0 | nM | 7.70 |
| CHEMBL2151605 | — | IC50 | = | 660.0 | nM | 6.18 |
| CHEMBL3775320 | — | IC50 | = | 3420.0 | nM | 5.47 |
| CHEMBL3775118 | — | IC50 | = | 3990.0 | nM | 5.40 |
| CHEMBL3775391 | — | IC50 | = | 3950.0 | nM | 5.40 |
| CHEMBL1551302 | BAVACHININ A | IC50 | = | 4310.0 | nM | 5.37 |
| CHEMBL1271483 | — | IC50 | = | 5610.0 | nM | 5.25 |
| CHEMBL1271536 | — | IC50 | = | 5700.0 | nM | 5.24 |
| CHEMBL1231178 | — | IC50 | = | 6110.0 | nM | 5.21 |
| CHEMBL487933 | — | IC50 | = | 6950.0 | nM | 5.16 |
| CHEMBL1271200 | — | IC50 | = | 7360.0 | nM | 5.13 |
| CHEMBL3775916 | — | IC50 | = | 14210.0 | nM | 4.85 |
| CHEMBL3775913 | — | IC50 | = | 20750.0 | nM | 4.68 |
| CHEMBL207413 | ACETOXOLONE | IC50 | = | 40510.0 | nM | 4.39 |
| CHEMBL230006 | ENOXOLONE | IC50 | = | 69260.0 | nM | 4.16 |
| CHEMBL493512 | — | IC50 | > | 100000.0 | nM | - |
| CHEMBL3775481 | — | IC50 | > | 100000.0 | nM | - |