Assay Detail
Binding
CHEMBL5096245
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Inhibition of SARS-CoV-2 MPro expressed in Escherichia coli BL21 (DE3) using Mca-AVLQ SGFR-K(Dnp)K as substrate by EnVision multimode plate reader analysis
8
Total Activities
8
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
Protease targeted COVID-19 drug discovery and its challenges: Insight into viral main protease (Mpro) and papain-like protease (PLpro) inhibitors.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 8 | 5.48 | 6.17 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL5208812 | — | — | 1 | 6.17 |
| CHEMBL51085 | EBSELEN | 3.0 | 1 | 6.17 |
| CHEMBL3545157 | TIDEGLUSIB | 2.0 | 1 | 5.81 |
| CHEMBL460499 | CARMOFUR | 2.0 | 1 | 5.74 |
| CHEMBL964 | DISULFIRAM | 4.0 | 1 | 5.03 |
| CHEMBL9470 | SHIKONIN | — | 1 | 4.80 |
| CHEMBL406050 | PX-12 | 2.0 | 1 | 4.67 |
| CHEMBL18786 | CINANSERIN | 2.0 | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL5208812 | — | IC50 | = | 670.0 | nM | 6.17 |
| CHEMBL51085 | EBSELEN | IC50 | = | 670.0 | nM | 6.17 |
| CHEMBL3545157 | TIDEGLUSIB | IC50 | = | 1550.0 | nM | 5.81 |
| CHEMBL460499 | CARMOFUR | IC50 | = | 1820.0 | nM | 5.74 |
| CHEMBL964 | DISULFIRAM | IC50 | = | 9350.0 | nM | 5.03 |
| CHEMBL9470 | SHIKONIN | IC50 | = | 15750.0 | nM | 4.80 |
| CHEMBL406050 | PX-12 | IC50 | = | 21390.0 | nM | 4.67 |
| CHEMBL18786 | CINANSERIN | IC50 | = | 124930.0 | nM | - |