Assay Detail
Binding
CHEMBL5366350
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Inhibition of hexa-His tagged SARS-COV2 main protease expressed in Escherichia coli using Dabcyl-KTSAVLQISGFRKM-E(Edans)-NH2 as substrate preincubated for 3 hrs followed by substrate addition and measured after 1 hr by FRET assay
3
Total Activities
3
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
Alkyne as a Latent Warhead to Covalently Target SARS-CoV-2 Main Protease.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 3 | 6.70 | 7.20 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL5401883 | — | — | 1 | 7.20 |
| CHEMBL5395936 | — | — | 1 | 6.77 |
| CHEMBL4802135 | NIRMATRELVIR | 4.0 | 1 | 6.12 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL5401883 | — | IC50 | = | 63.0 | nM | 7.20 |
| CHEMBL5395936 | — | IC50 | = | 170.0 | nM | 6.77 |
| CHEMBL4802135 | NIRMATRELVIR | IC50 | = | 760.0 | nM | 6.12 |