Assay Detail
Binding
CHEMBL5154229
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Inhibition of SARS-CoV-2 main protease expressed in Escherichia coli using Dabcyl-KTSAVLQSGFRKME-Edans as substrate incubated for 60 mins by FRET based assay
2
Total Activities
2
Compounds Tested
2
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
Discovery and Crystallographic Studies of Nonpeptidic Piperazine Derivatives as Covalent SARS-CoV-2 Main Protease Inhibitors.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 1 | 8.52 | 8.52 |
| IC50 | 1 | 9.57 | 9.57 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL4777223 | PF-00835231 | -1.0 | 1 | 9.57 |
| CHEMBL4802135 | NIRMATRELVIR | 4.0 | 1 | 8.52 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL4777223 | PF-00835231 | IC50 | = | 0.27 | nM | 9.57 |
| CHEMBL4802135 | NIRMATRELVIR | Ki | = | 3.0 | nM | 8.52 |