Assay Detail
Binding
CHEMBL5543916
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Inhibition of recombinant SARS-CoV-2 main protease using DABCYL-KTSAVLQSGFRKME-EDANS as fluorescent substrate preincubated for 30 mins followed by substrate addition by FRET assay
18
Total Activities
18
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
Peptidomimetics as potent dual SARS-CoV-2 cathepsin-L and main protease inhibitors: In silico design, synthesis and pharmacological characterization.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 18 | 5.53 | 6.24 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL2315036 | — | — | 1 | 6.24 |
| CHEMBL5594341 | — | — | 1 | 6.14 |
| CHEMBL5070941 | — | — | 1 | 5.76 |
| CHEMBL5574506 | — | — | 1 | 5.55 |
| CHEMBL5591434 | — | — | 1 | 5.08 |
| CHEMBL5576036 | — | — | 1 | 5.08 |
| CHEMBL5572122 | — | — | 1 | 4.83 |
| CHEMBL5575599 | — | — | 1 | - |
| CHEMBL5574180 | — | — | 1 | - |
| CHEMBL5592679 | — | — | 1 | - |
| CHEMBL5563602 | — | — | 1 | - |
| CHEMBL5570567 | — | — | 1 | - |
| CHEMBL5569237 | — | — | 1 | - |
| CHEMBL5564969 | — | — | 1 | - |
| CHEMBL5566215 | — | — | 1 | - |
| CHEMBL5566703 | — | — | 1 | - |
| CHEMBL5589813 | — | — | 1 | - |
| CHEMBL5565757 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL2315036 | — | IC50 | = | 570.23 | nM | 6.24 |
| CHEMBL5594341 | — | IC50 | = | 730.12 | nM | 6.14 |
| CHEMBL5070941 | — | IC50 | = | 1720.44 | nM | 5.76 |
| CHEMBL5574506 | — | IC50 | = | 2810.81 | nM | 5.55 |
| CHEMBL5591434 | — | IC50 | = | 8350.53 | nM | 5.08 |
| CHEMBL5576036 | — | IC50 | = | 8320.26 | nM | 5.08 |
| CHEMBL5572122 | — | IC50 | = | 14610.54 | nM | 4.83 |
| CHEMBL5575599 | — | IC50 | > | 30000.0 | nM | - |
| CHEMBL5574180 | — | IC50 | > | 30000.0 | nM | - |
| CHEMBL5592679 | — | IC50 | > | 30000.0 | nM | - |
| CHEMBL5563602 | — | IC50 | > | 30000.0 | nM | - |
| CHEMBL5570567 | — | IC50 | > | 30000.0 | nM | - |
| CHEMBL5569237 | — | IC50 | > | 30000.0 | nM | - |
| CHEMBL5564969 | — | IC50 | > | 30000.0 | nM | - |
| CHEMBL5566215 | — | IC50 | > | 30000.0 | nM | - |
| CHEMBL5566703 | — | IC50 | > | 30000.0 | nM | - |
| CHEMBL5589813 | — | IC50 | > | 30000.0 | nM | - |
| CHEMBL5565757 | — | IC50 | > | 30000.0 | nM | - |