Assay Detail
Binding
CHEMBL5250622
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Binding affinity to C-terminal His6-tagged recombinant SARS-CoV-2 MPro transfected in Escherichia coli BL21 (DE3) assessed as dissociation constant by Cheng-Prusoff equation analysis
10
Total Activities
10
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
Rational design of the zonulin inhibitor AT1001 derivatives as potential anti SARS-CoV-2.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Kd | 10 | 5.32 | 5.92 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL5287352 | — | — | 1 | 5.92 |
| CHEMBL92708 | CALPEPTIN | — | 1 | 5.91 |
| CHEMBL5286815 | — | — | 1 | 5.90 |
| CHEMBL5291013 | — | — | 1 | 5.49 |
| CHEMBL5279125 | — | — | 1 | 4.72 |
| CHEMBL5291407 | — | — | 1 | 4.00 |
| CHEMBL5281857 | — | — | 1 | - |
| CHEMBL5270591 | — | — | 1 | - |
| CHEMBL5287116 | — | — | 1 | - |
| CHEMBL5276189 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL5287352 | — | Kd | = | 1190.0 | nM | 5.92 |
| CHEMBL92708 | CALPEPTIN | Kd | = | 1220.0 | nM | 5.91 |
| CHEMBL5286815 | — | Kd | = | 1260.0 | nM | 5.90 |
| CHEMBL5291013 | — | Kd | = | 3260.0 | nM | 5.49 |
| CHEMBL5279125 | — | Kd | = | 18920.0 | nM | 4.72 |
| CHEMBL5291407 | — | Kd | = | 98860.0 | nM | 4.00 |
| CHEMBL5281857 | — | Kd | > | 2.13 | 10^2 uM | - |
| CHEMBL5270591 | — | Kd | > | 1.07 | 10^2 uM | - |
| CHEMBL5287116 | — | Kd | > | 2.13 | 10^2 uM | - |
| CHEMBL5276189 | — | Kd | > | 8.5 | 10^1 uM | - |