Assay Detail
Binding
CHEMBL5537354
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Inhibition of SARS-CoV MPro transfected in Escherichia coli BL21 (DE3) using Dabcyl-KTSAVLQSGFRKM-E(Edans)-NH2 as substrate preincubated for 15 mins followed by substrate addition measured after 30 mins by FRET assay
9
Total Activities
9
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Severe acute respiratory syndrome-related coronavirus |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Target
Replicase polyprotein 1a (CHEMBL3927) ↗| Type | SINGLE PROTEIN |
| Organism | Severe acute respiratory syndrome-related coronavirus |
Publication
Structure and function of SARS-CoV and SARS-CoV-2 main proteases and their inhibition: A comprehensive review.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 9 | 6.56 | 7.82 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL5195325 | — | — | 1 | 7.82 |
| CHEMBL3427166 | — | — | 1 | 7.30 |
| CHEMBL5560356 | — | — | 1 | 7.28 |
| CHEMBL4850298 | — | — | 1 | 7.16 |
| CHEMBL5564834 | — | — | 1 | 7.00 |
| CHEMBL5593485 | — | — | 1 | 6.05 |
| CHEMBL2311740 | — | — | 1 | 5.82 |
| CHEMBL5563508 | — | — | 1 | 5.46 |
| CHEMBL218394 | BOCEPREVIR | 4.0 | 1 | 5.18 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL5195325 | — | IC50 | = | 15.2 | nM | 7.82 |
| CHEMBL3427166 | — | IC50 | = | 50.0 | nM | 7.30 |
| CHEMBL5560356 | — | IC50 | = | 53.0 | nM | 7.28 |
| CHEMBL4850298 | — | IC50 | = | 70.0 | nM | 7.16 |
| CHEMBL5564834 | — | IC50 | = | 99.0 | nM | 7.00 |
| CHEMBL5593485 | — | IC50 | = | 900.0 | nM | 6.05 |
| CHEMBL2311740 | — | IC50 | = | 1500.0 | nM | 5.82 |
| CHEMBL5563508 | — | IC50 | = | 3500.0 | nM | 5.46 |
| CHEMBL218394 | BOCEPREVIR | IC50 | = | 6630.0 | nM | 5.18 |