Assay Detail
Binding
CHEMBL5320992
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Inhibition of SARS CoV-2 main protease preincubated for 30 min followed by substrate addition and measured after 60 mins by fluorescence assay
13
Total Activities
13
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Severe acute respiratory syndrome coronavirus 2 |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Target
Replicase polyprotein 1ab (CHEMBL4523582) ↗| Type | SINGLE PROTEIN |
| Organism | Severe acute respiratory syndrome coronavirus 2 |
Publication
Discovery of novel bicyclic[3.3.0]proline peptidyl α-ketoamides as potent 3CL-protease inhibitors for SARS-CoV-2.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 13 | 7.07 | 7.85 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL4802135 | NIRMATRELVIR | 4.0 | 1 | 7.85 |
| CHEMBL5403964 | — | — | 1 | 7.47 |
| CHEMBL5419985 | — | — | 1 | 7.37 |
| CHEMBL5439916 | — | — | 1 | 7.33 |
| CHEMBL5409804 | — | — | 1 | 7.30 |
| CHEMBL5414443 | — | — | 1 | 7.11 |
| CHEMBL5438575 | — | — | 1 | 6.98 |
| CHEMBL5400701 | — | — | 1 | 6.87 |
| CHEMBL5402227 | — | — | 1 | 6.78 |
| CHEMBL5403340 | — | — | 1 | 6.45 |
| CHEMBL5411271 | — | — | 1 | 6.26 |
| CHEMBL5400782 | — | — | 1 | - |
| CHEMBL5430131 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL4802135 | NIRMATRELVIR | IC50 | = | 14.0 | nM | 7.85 |
| CHEMBL5403964 | — | IC50 | = | 34.0 | nM | 7.47 |
| CHEMBL5419985 | — | IC50 | = | 43.0 | nM | 7.37 |
| CHEMBL5439916 | — | IC50 | = | 47.0 | nM | 7.33 |
| CHEMBL5409804 | — | IC50 | = | 50.0 | nM | 7.30 |
| CHEMBL5414443 | — | IC50 | = | 77.0 | nM | 7.11 |
| CHEMBL5438575 | — | IC50 | = | 104.0 | nM | 6.98 |
| CHEMBL5400701 | — | IC50 | = | 135.0 | nM | 6.87 |
| CHEMBL5402227 | — | IC50 | = | 165.0 | nM | 6.78 |
| CHEMBL5403340 | — | IC50 | = | 356.0 | nM | 6.45 |
| CHEMBL5411271 | — | IC50 | = | 551.0 | nM | 6.26 |
| CHEMBL5400782 | — | IC50 | > | 1000.0 | nM | - |
| CHEMBL5430131 | — | IC50 | > | 1000.0 | nM | - |