Assay Detail
Binding
CHEMBL5096472
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Inhibition of SARS-CoV-2 3CL protease expressed in Escherichia coli BL21 (DE3) using DABCYLKTSAVLQSGFRKME-EDANS as substrate preincubated for 1 hr followed by substrate addition and measured after 16 hrs 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
Natural Products with Potential to Treat RNA Virus Pathogens Including SARS-CoV-2.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 3 | 4.49 | 4.57 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL395990 | RHOIFOLIN | — | 1 | 4.57 |
| CHEMBL611029 | HERBACETIN | — | 1 | 4.48 |
| CHEMBL445978 | PECTOLINARIN | — | 1 | 4.42 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL395990 | RHOIFOLIN | IC50 | = | 27000.0 | nM | 4.57 |
| CHEMBL611029 | HERBACETIN | IC50 | = | 33000.0 | nM | 4.48 |
| CHEMBL445978 | PECTOLINARIN | IC50 | = | 38000.0 | nM | 4.42 |