Assay Detail
Binding
CHEMBL4810319
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Inhibition of SARS-CoV-2 Main protease expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of Dabcyl-KTSAVLQ/SGFRKME(Edans) substrate and measured after 1 hr by FRET assay
5
Total Activities
5
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 head-to-head comparison of the inhibitory activities of 15 peptidomimetic SARS-CoV-2 3CLpro inhibitors.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 5 | 5.76 | 7.52 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL3559293 | — | — | 1 | 7.52 |
| CHEMBL4518490 | — | — | 1 | 5.50 |
| CHEMBL64925 | MG-132 | — | 1 | 5.41 |
| CHEMBL4868590 | — | — | 1 | 5.38 |
| CHEMBL92708 | CALPEPTIN | — | 1 | 4.97 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL3559293 | — | IC50 | = | 30.0 | nM | 7.52 |
| CHEMBL4518490 | — | IC50 | = | 3140.0 | nM | 5.50 |
| CHEMBL64925 | MG-132 | IC50 | = | 3900.0 | nM | 5.41 |
| CHEMBL4868590 | — | IC50 | = | 4130.0 | nM | 5.38 |
| CHEMBL92708 | CALPEPTIN | IC50 | = | 10690.0 | nM | 4.97 |