Assay Detail
Binding
CHEMBL5516207
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Inhibition of MERS-CoV main protease using Boc-Abu-Tle-Leu-Gln-AMC as substrate preincubated for 5 mins followed by enzyme addition and measured for 10 mins
8
Total Activities
8
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Middle East respiratory syndrome-related coronavirus |
| Confidence | 0 — Uncurated / Unknown |
| Curated By | Autocuration |
Publication
Macrocyclic Azapeptide Nitriles: Structure-Based Discovery of Potent SARS-CoV-2 Main Protease Inhibitors as Antiviral Drugs.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 8 | 7.29 | 8.99 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL4802135 | NIRMATRELVIR | 4.0 | 1 | 8.99 |
| CHEMBL5559068 | — | — | 1 | 8.49 |
| CHEMBL5558707 | — | — | 1 | 7.25 |
| CHEMBL5568269 | — | — | 1 | 6.97 |
| CHEMBL5561728 | — | — | 1 | 6.89 |
| CHEMBL5564222 | — | — | 1 | 6.66 |
| CHEMBL5568382 | — | — | 1 | 6.61 |
| CHEMBL5565472 | — | — | 1 | 6.47 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL4802135 | NIRMATRELVIR | Ki | = | 1.02 | nM | 8.99 |
| CHEMBL5559068 | — | Ki | = | 3.22 | nM | 8.49 |
| CHEMBL5558707 | — | Ki | = | 56.8 | nM | 7.25 |
| CHEMBL5568269 | — | Ki | = | 106.0 | nM | 6.97 |
| CHEMBL5561728 | — | Ki | = | 129.0 | nM | 6.89 |
| CHEMBL5564222 | — | Ki | = | 219.0 | nM | 6.66 |
| CHEMBL5568382 | — | Ki | = | 246.0 | nM | 6.61 |
| CHEMBL5565472 | — | Ki | = | 339.0 | nM | 6.47 |