Assay Detail
Binding
CHEMBL5366347
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Inhibition of recombinant hexa-His tagged SARS-COV2 main protease expressed in Escherichia coli using Dabcyl-KTSAVLQISGFRKM-E(Edans)-NH2 as substrate preincubated for 15 mins followed by substrate addition and measured after 1 hr by FRET assay
15
Total Activities
15
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
Alkyne as a Latent Warhead to Covalently Target SARS-CoV-2 Main Protease.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 15 | 5.31 | 6.54 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL5173582 | — | — | 1 | 6.54 |
| CHEMBL5401883 | — | — | 1 | 6.48 |
| CHEMBL4802135 | NIRMATRELVIR | 4.0 | 1 | 6.30 |
| CHEMBL5397697 | — | — | 1 | 5.60 |
| CHEMBL5399907 | — | — | 1 | 5.36 |
| CHEMBL5180730 | — | — | 1 | 5.19 |
| CHEMBL5416837 | — | — | 1 | 4.92 |
| CHEMBL5407849 | — | — | 1 | 4.66 |
| CHEMBL5424171 | — | — | 1 | 4.54 |
| CHEMBL5401763 | — | — | 1 | 4.46 |
| CHEMBL5439416 | — | — | 1 | 4.41 |
| CHEMBL5406827 | — | — | 1 | - |
| CHEMBL5435701 | — | — | 1 | - |
| CHEMBL5436497 | — | — | 1 | - |
| CHEMBL5178853 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL5173582 | — | IC50 | = | 290.0 | nM | 6.54 |
| CHEMBL5401883 | — | IC50 | = | 330.0 | nM | 6.48 |
| CHEMBL4802135 | NIRMATRELVIR | IC50 | = | 500.0 | nM | 6.30 |
| CHEMBL5397697 | — | IC50 | = | 2500.0 | nM | 5.60 |
| CHEMBL5399907 | — | IC50 | = | 4400.0 | nM | 5.36 |
| CHEMBL5180730 | — | IC50 | = | 6500.0 | nM | 5.19 |
| CHEMBL5416837 | — | IC50 | = | 12000.0 | nM | 4.92 |
| CHEMBL5407849 | — | IC50 | = | 22000.0 | nM | 4.66 |
| CHEMBL5424171 | — | IC50 | = | 29000.0 | nM | 4.54 |
| CHEMBL5401763 | — | IC50 | = | 35000.0 | nM | 4.46 |
| CHEMBL5439416 | — | IC50 | = | 39000.0 | nM | 4.41 |
| CHEMBL5406827 | — | IC50 | > | 80000.0 | nM | - |
| CHEMBL5435701 | — | IC50 | > | 80000.0 | nM | - |
| CHEMBL5436497 | — | IC50 | > | 80000.0 | nM | - |
| CHEMBL5178853 | — | IC50 | > | 80000.0 | nM | - |