Assay Detail
Binding
CHEMBL5117300
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Inhibition of His/SUMO tagged SARS-CoV2 main protease expressed in Escherichia coli BL21 (DE3) cells using Dabcyl-KTSAVLQSGFRKME-Edans as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by fluorescence plate reader analysis
20
Total Activities
20
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
A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 20 | 7.35 | 8.32 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL5205477 | — | — | 1 | 8.32 |
| CHEMBL5189578 | — | — | 1 | 8.28 |
| CHEMBL5208464 | — | — | 1 | 8.08 |
| CHEMBL5178875 | — | — | 1 | 7.96 |
| CHEMBL5178556 | — | — | 1 | 7.89 |
| CHEMBL5185670 | — | — | 1 | 7.80 |
| CHEMBL5202866 | — | — | 1 | 7.72 |
| CHEMBL5205992 | — | — | 1 | 7.52 |
| CHEMBL5203715 | — | — | 1 | 7.44 |
| CHEMBL5204033 | — | — | 1 | 7.31 |
| CHEMBL5203726 | — | — | 1 | 7.28 |
| CHEMBL5176166 | — | — | 1 | 7.22 |
| CHEMBL5201264 | — | — | 1 | 7.18 |
| CHEMBL5169820 | — | — | 1 | 7.11 |
| CHEMBL5190267 | — | — | 1 | 6.82 |
| CHEMBL5177381 | — | — | 1 | 6.80 |
| CHEMBL5199403 | — | — | 1 | 6.46 |
| CHEMBL5173899 | — | — | 1 | 6.28 |
| CHEMBL5193629 | — | — | 1 | 6.19 |
| CHEMBL5172231 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL5205477 | — | IC50 | = | 4.8 | nM | 8.32 |
| CHEMBL5189578 | — | IC50 | = | 5.2 | nM | 8.28 |
| CHEMBL5208464 | — | IC50 | = | 8.4 | nM | 8.08 |
| CHEMBL5178875 | — | IC50 | = | 11.0 | nM | 7.96 |
| CHEMBL5178556 | — | IC50 | = | 13.0 | nM | 7.89 |
| CHEMBL5185670 | — | IC50 | = | 16.0 | nM | 7.80 |
| CHEMBL5202866 | — | IC50 | = | 19.0 | nM | 7.72 |
| CHEMBL5205992 | — | IC50 | = | 30.0 | nM | 7.52 |
| CHEMBL5203715 | — | IC50 | = | 36.0 | nM | 7.44 |
| CHEMBL5204033 | — | IC50 | = | 49.0 | nM | 7.31 |
| CHEMBL5203726 | — | IC50 | = | 52.0 | nM | 7.28 |
| CHEMBL5176166 | — | IC50 | = | 60.0 | nM | 7.22 |
| CHEMBL5201264 | — | IC50 | = | 66.0 | nM | 7.18 |
| CHEMBL5169820 | — | IC50 | = | 77.0 | nM | 7.11 |
| CHEMBL5190267 | — | IC50 | = | 150.0 | nM | 6.82 |
| CHEMBL5177381 | — | IC50 | = | 160.0 | nM | 6.80 |
| CHEMBL5199403 | — | IC50 | = | 350.0 | nM | 6.46 |
| CHEMBL5173899 | — | IC50 | = | 530.0 | nM | 6.28 |
| CHEMBL5193629 | — | IC50 | = | 650.0 | nM | 6.19 |
| CHEMBL5172231 | — | IC50 | - | — | - |