Assay Detail
Binding
CHEMBL5336130
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Inhibition of SARS-CoV-2 N-terminal 6His-SUMO-tagged 3CL protease expressed in Escherichia coli BL21 (DE3) using Dabcyl-KTSAVLQSGFRKM-Glu-Edans fluorogenic peptide as substrate pre-incubated for 30 mins in absence of GSH followed by substrate addition measured after 30 mins by FRET assay
14
Total Activities
7
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
Novel dithiocarbamates selectively inhibit 3CL protease of SARS-CoV-2 and other coronaviruses.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 14 | 7.00 | 7.92 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL2365410 | — | — | 2 | 7.92 |
| CHEMBL4590273 | — | — | 2 | 7.68 |
| CHEMBL5434729 | — | — | 2 | 7.65 |
| CHEMBL5436771 | — | — | 2 | 7.57 |
| CHEMBL5396515 | — | — | 2 | 6.75 |
| CHEMBL5405544 | — | — | 2 | 4.46 |
| CHEMBL5394457 | — | — | 2 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL2365410 | — | IC50 | = | 12.02 | nM | 7.92 |
| CHEMBL2365410 | — | IC50 | = | 12.0 | nM | 7.92 |
| CHEMBL4590273 | — | IC50 | = | 21.0 | nM | 7.68 |
| CHEMBL4590273 | — | IC50 | = | 21.38 | nM | 7.67 |
| CHEMBL5434729 | — | IC50 | = | 22.39 | nM | 7.65 |
| CHEMBL5434729 | — | IC50 | = | 23.0 | nM | 7.64 |
| CHEMBL5436771 | — | IC50 | = | 26.92 | nM | 7.57 |
| CHEMBL5436771 | — | IC50 | = | 27.0 | nM | 7.57 |
| CHEMBL5396515 | — | IC50 | = | 177.83 | nM | 6.75 |
| CHEMBL5396515 | — | IC50 | = | 178.0 | nM | 6.75 |
| CHEMBL5405544 | — | IC50 | = | 34673.69 | nM | 4.46 |
| CHEMBL5405544 | — | IC50 | = | 35000.0 | nM | 4.46 |
| CHEMBL5394457 | — | IC50 | > | 100000.0 | nM | - |
| CHEMBL5394457 | — | IC50 | > | 100000.0 | nM | - |