Assay Detail
Binding
CHEMBL5333103
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Inhibition of SARS-CoV-2 MPro using Dabcyl-KTSAVLQSGFRKME-Edans as substrate assessed as inhibition constant measured for 10 mins by FRET assay
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
Structure-based lead optimization of peptide-based vinyl methyl ketones as SARS-CoV-2 main protease inhibitors.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 8 | 6.89 | 8.52 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL4802135 | NIRMATRELVIR | 4.0 | 1 | 8.52 |
| CHEMBL4796938 | — | — | 1 | 8.10 |
| CHEMBL5436027 | — | — | 1 | 6.74 |
| CHEMBL5423619 | — | — | 1 | 6.60 |
| CHEMBL5401213 | — | — | 1 | 6.58 |
| CHEMBL5412724 | — | — | 1 | 6.41 |
| CHEMBL5429672 | — | — | 1 | 6.38 |
| CHEMBL5402020 | — | — | 1 | 5.75 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL4802135 | NIRMATRELVIR | Ki | = | 3.0 | nM | 8.52 |
| CHEMBL4796938 | — | Ki | = | 8.0 | nM | 8.10 |
| CHEMBL5436027 | — | Ki | = | 184.0 | nM | 6.74 |
| CHEMBL5423619 | — | Ki | = | 252.0 | nM | 6.60 |
| CHEMBL5401213 | — | Ki | = | 260.0 | nM | 6.58 |
| CHEMBL5412724 | — | Ki | = | 386.0 | nM | 6.41 |
| CHEMBL5429672 | — | Ki | = | 416.0 | nM | 6.38 |
| CHEMBL5402020 | — | Ki | = | 1770.0 | nM | 5.75 |