Assay Detail
Binding
CHEMBL5225077
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Binding affinity to SARS-CoV-2 Main protease assessed as inhibition constant
8
Total Activities
8
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
Targeting SARS-CoV-2 Main Protease for Treatment of COVID-19: Covalent Inhibitors Structure-Activity Relationship Insights and Evolution Perspectives.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 8 | 6.37 | 8.52 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL4802135 | NIRMATRELVIR | 4.0 | 1 | 8.52 |
| CHEMBL5266355 | — | — | 1 | 7.51 |
| CHEMBL5179454 | — | — | 1 | 7.11 |
| CHEMBL3427166 | — | — | 1 | 7.03 |
| CHEMBL218394 | BOCEPREVIR | 4.0 | 1 | 5.93 |
| CHEMBL4874639 | — | — | 1 | 5.67 |
| CHEMBL164 | MYRICETIN | — | 1 | 4.80 |
| CHEMBL5271977 | — | — | 1 | 4.42 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL4802135 | NIRMATRELVIR | Ki | = | 3.0 | nM | 8.52 |
| CHEMBL5266355 | — | Ki | = | 31.0 | nM | 7.51 |
| CHEMBL5179454 | — | Ki | = | 78.0 | nM | 7.11 |
| CHEMBL3427166 | — | Ki | = | 94.0 | nM | 7.03 |
| CHEMBL218394 | BOCEPREVIR | Ki | = | 1180.0 | nM | 5.93 |
| CHEMBL4874639 | — | Ki | = | 2150.0 | nM | 5.67 |
| CHEMBL164 | MYRICETIN | Ki | = | 15730.0 | nM | 4.80 |
| CHEMBL5271977 | — | Ki | = | 38360.0 | nM | 4.42 |