Assay Detail
Binding
CHEMBL5364588
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Inhibition of His/SUMO tagged SARS-CoV-2 main protease transfected in Escherichia coli BL21 (DE3) using Dabcyl-KTSAVLQSGFRKME-Edans as substrate preincubated for 30 mins followed by substrate addition by fluorescence based analysis
30
Total Activities
30
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
A Systematic Survey of Reversibly Covalent Dipeptidyl Inhibitors of the SARS-CoV-2 Main Protease.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 30 | 6.90 | 7.66 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL5399799 | — | — | 1 | 7.66 |
| CHEMBL5398911 | — | — | 1 | 7.60 |
| CHEMBL5398423 | — | — | 1 | 7.60 |
| CHEMBL5276875 | — | — | 1 | 7.60 |
| CHEMBL5288416 | — | — | 1 | 7.55 |
| CHEMBL5427537 | — | — | 1 | 7.54 |
| CHEMBL5438286 | — | — | 1 | 7.52 |
| CHEMBL5437518 | — | — | 1 | 7.41 |
| CHEMBL5270743 | — | — | 1 | 7.40 |
| CHEMBL5425010 | — | — | 1 | 7.39 |
| CHEMBL5267952 | — | — | 1 | 7.38 |
| CHEMBL5435470 | — | — | 1 | 7.31 |
| CHEMBL4796938 | — | — | 1 | 7.28 |
| CHEMBL5415290 | — | — | 1 | 7.28 |
| CHEMBL5195325 | — | — | 1 | 7.26 |
| CHEMBL3427168 | — | — | 1 | 7.25 |
| CHEMBL5431050 | — | — | 1 | 7.13 |
| CHEMBL5396546 | — | — | 1 | 7.01 |
| CHEMBL3427141 | — | — | 1 | 6.96 |
| CHEMBL5397315 | — | — | 1 | 6.40 |
| CHEMBL5427578 | — | — | 1 | 6.29 |
| CHEMBL5425267 | — | — | 1 | 6.25 |
| CHEMBL5440769 | — | — | 1 | 6.00 |
| CHEMBL5396421 | — | — | 1 | 5.85 |
| CHEMBL5399253 | — | — | 1 | 5.82 |
| CHEMBL5412310 | — | — | 1 | 5.66 |
| CHEMBL5436573 | — | — | 1 | 5.44 |
| CHEMBL5398479 | — | — | 1 | 5.22 |
| CHEMBL5407572 | — | — | 1 | - |
| CHEMBL5397334 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL5399799 | — | IC50 | = | 22.0 | nM | 7.66 |
| CHEMBL5398911 | — | IC50 | = | 25.0 | nM | 7.60 |
| CHEMBL5398423 | — | IC50 | = | 25.0 | nM | 7.60 |
| CHEMBL5276875 | — | IC50 | = | 25.0 | nM | 7.60 |
| CHEMBL5288416 | — | IC50 | = | 28.0 | nM | 7.55 |
| CHEMBL5427537 | — | IC50 | = | 29.0 | nM | 7.54 |
| CHEMBL5438286 | — | IC50 | = | 30.0 | nM | 7.52 |
| CHEMBL5437518 | — | IC50 | = | 39.0 | nM | 7.41 |
| CHEMBL5270743 | — | IC50 | = | 40.0 | nM | 7.40 |
| CHEMBL5425010 | — | IC50 | = | 41.0 | nM | 7.39 |
| CHEMBL5267952 | — | IC50 | = | 42.0 | nM | 7.38 |
| CHEMBL5435470 | — | IC50 | = | 49.0 | nM | 7.31 |
| CHEMBL4796938 | — | IC50 | = | 53.0 | nM | 7.28 |
| CHEMBL5415290 | — | IC50 | = | 53.0 | nM | 7.28 |
| CHEMBL5195325 | — | IC50 | = | 55.0 | nM | 7.26 |
| CHEMBL3427168 | — | IC50 | = | 56.0 | nM | 7.25 |
| CHEMBL5431050 | — | IC50 | = | 74.0 | nM | 7.13 |
| CHEMBL5396546 | — | IC50 | = | 98.0 | nM | 7.01 |
| CHEMBL3427141 | — | IC50 | = | 110.0 | nM | 6.96 |
| CHEMBL5397315 | — | IC50 | = | 400.0 | nM | 6.40 |
| CHEMBL5427578 | — | IC50 | = | 510.0 | nM | 6.29 |
| CHEMBL5425267 | — | IC50 | = | 560.0 | nM | 6.25 |
| CHEMBL5440769 | — | IC50 | = | 990.0 | nM | 6.00 |
| CHEMBL5396421 | — | IC50 | = | 1400.0 | nM | 5.85 |
| CHEMBL5399253 | — | IC50 | = | 1500.0 | nM | 5.82 |
| CHEMBL5412310 | — | IC50 | = | 2200.0 | nM | 5.66 |
| CHEMBL5436573 | — | IC50 | = | 3600.0 | nM | 5.44 |
| CHEMBL5398479 | — | IC50 | = | 6000.0 | nM | 5.22 |
| CHEMBL5407572 | — | IC50 | > | 2000.0 | nM | - |
| CHEMBL5397334 | — | IC50 | > | 5000.0 | nM | - |