Assay Detail
Binding
CHEMBL5550822
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Inhibition of SARS-CoV-1 main protease using DabcylKTSAVLQSGFRKM-(Edan) as substrate preincubated for 30 mins followed by substrate addition and measured after 60 mins by fluorescence based Spectramax M2e microplate reader based analysis
5
Total Activities
5
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Severe acute respiratory syndrome-related coronavirus |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Target
Replicase polyprotein 1a (CHEMBL3927) ↗| Type | SINGLE PROTEIN |
| Organism | Severe acute respiratory syndrome-related coronavirus |
Publication
Exploiting high-energy hydration sites for the discovery of potent peptide aldehyde inhibitors of the SARS-CoV-2 main protease with cellular antiviral activity.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 5 | 7.53 | 7.85 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL5565685 | — | — | 1 | 7.85 |
| CHEMBL4802135 | NIRMATRELVIR | 4.0 | 1 | 7.70 |
| CHEMBL5570210 | — | — | 1 | 7.52 |
| CHEMBL5565858 | — | — | 1 | 7.32 |
| CHEMBL5595277 | — | — | 1 | 7.28 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL5565685 | — | IC50 | = | 14.0 | nM | 7.85 |
| CHEMBL4802135 | NIRMATRELVIR | IC50 | = | 20.0 | nM | 7.70 |
| CHEMBL5570210 | — | IC50 | = | 30.0 | nM | 7.52 |
| CHEMBL5565858 | — | IC50 | = | 48.0 | nM | 7.32 |
| CHEMBL5595277 | — | IC50 | = | 52.0 | nM | 7.28 |