Assay Detail
Binding
CHEMBL5336134
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Inhibition of MERS-CoV 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
6
Total Activities
3
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Middle East respiratory syndrome-related coronavirus |
| Confidence | 0 — Uncurated / Unknown |
| Curated By | Autocuration |
Publication
Novel dithiocarbamates selectively inhibit 3CL protease of SARS-CoV-2 and other coronaviruses.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 6 | 5.98 | 6.37 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL2365410 | — | — | 2 | 6.37 |
| CHEMBL5436771 | — | — | 2 | 5.87 |
| CHEMBL4590273 | — | — | 2 | 5.70 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL2365410 | — | IC50 | = | 430.0 | nM | 6.37 |
| CHEMBL2365410 | — | IC50 | = | 426.58 | nM | 6.37 |
| CHEMBL5436771 | — | IC50 | = | 1360.0 | nM | 5.87 |
| CHEMBL5436771 | — | IC50 | = | 1348.96 | nM | 5.87 |
| CHEMBL4590273 | — | IC50 | = | 2000.0 | nM | 5.70 |
| CHEMBL4590273 | — | IC50 | = | 1995.26 | nM | 5.70 |