Assay Detail
Binding
CHEMBL5225084
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Inhibition of SARS-CoV-2 Main protease
20
Total Activities
20
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 |
|---|---|---|---|
| IC50 | 20 | 6.80 | 8.12 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL5267069 | — | — | 1 | 8.12 |
| CHEMBL5267414 | — | — | 1 | 7.85 |
| CHEMBL5193976 | — | — | 1 | 7.82 |
| CHEMBL5290282 | — | — | 1 | 7.82 |
| CHEMBL5270743 | — | — | 1 | 7.76 |
| CHEMBL4802135 | NIRMATRELVIR | 4.0 | 1 | 7.72 |
| CHEMBL5195364 | — | — | 1 | 7.55 |
| CHEMBL5205750 | — | — | 1 | 7.47 |
| CHEMBL490822 | — | — | 1 | 7.26 |
| CHEMBL5278950 | — | — | 1 | 7.25 |
| CHEMBL5281998 | — | — | 1 | 7.10 |
| CHEMBL164 | MYRICETIN | — | 1 | 6.70 |
| CHEMBL5283004 | — | — | 1 | 6.37 |
| CHEMBL274056 | NAPHTHAZALIN | — | 1 | 6.31 |
| CHEMBL5287918 | — | — | 1 | 6.28 |
| CHEMBL5287068 | — | — | 1 | 6.08 |
| CHEMBL218394 | BOCEPREVIR | 4.0 | 1 | 5.80 |
| CHEMBL5271977 | — | — | 1 | 5.54 |
| CHEMBL590 | MENADIONE | 4.0 | 1 | 5.10 |
| CHEMBL5288729 | — | — | 1 | 4.06 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL5267069 | — | IC50 | = | 7.6 | nM | 8.12 |
| CHEMBL5267414 | — | IC50 | = | 14.0 | nM | 7.85 |
| CHEMBL5193976 | — | IC50 | = | 15.24 | nM | 7.82 |
| CHEMBL5290282 | — | IC50 | = | 15.2 | nM | 7.82 |
| CHEMBL5270743 | — | IC50 | = | 17.2 | nM | 7.76 |
| CHEMBL4802135 | NIRMATRELVIR | IC50 | = | 19.2 | nM | 7.72 |
| CHEMBL5195364 | — | IC50 | = | 27.95 | nM | 7.55 |
| CHEMBL5205750 | — | IC50 | = | 34.2 | nM | 7.47 |
| CHEMBL490822 | — | IC50 | = | 55.0 | nM | 7.26 |
| CHEMBL5278950 | — | IC50 | = | 56.0 | nM | 7.25 |
| CHEMBL5281998 | — | IC50 | = | 80.0 | nM | 7.10 |
| CHEMBL164 | MYRICETIN | IC50 | = | 200.0 | nM | 6.70 |
| CHEMBL5283004 | — | IC50 | = | 430.0 | nM | 6.37 |
| CHEMBL274056 | NAPHTHAZALIN | IC50 | = | 490.0 | nM | 6.31 |
| CHEMBL5287918 | — | IC50 | = | 530.0 | nM | 6.28 |
| CHEMBL5287068 | — | IC50 | = | 830.0 | nM | 6.08 |
| CHEMBL218394 | BOCEPREVIR | IC50 | = | 1590.0 | nM | 5.80 |
| CHEMBL5271977 | — | IC50 | = | 2860.0 | nM | 5.54 |
| CHEMBL590 | MENADIONE | IC50 | = | 7960.0 | nM | 5.10 |
| CHEMBL5288729 | — | IC50 | = | 86320.0 | nM | 4.06 |