Assay Detail
Binding
CHEMBL5370508
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Inhibition of SARS-CoV-2 main protease expressed in Escherichia coli using [NH2-C(EDANS)VNSTQSGLRK(DABCYL)M-COOH] FRET peptide as substrate pre-incubated for 20 mins followed by substrate addition enzyme activity measured every 5 mins for 120 mins by fluorescence assay
18
Total Activities
18
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
Design and Optimization of Novel Competitive, Non-peptidic, SARS-CoV-2 M<sup>pro</sup> Inhibitors.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 18 | 7.30 | 8.22 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL5431872 | — | — | 1 | 8.22 |
| CHEMBL5428134 | — | — | 1 | 8.05 |
| CHEMBL5406180 | — | — | 1 | 7.92 |
| CHEMBL5427542 | — | — | 1 | 7.92 |
| CHEMBL5399537 | — | — | 1 | 7.89 |
| CHEMBL5394734 | — | — | 1 | 7.80 |
| CHEMBL5412903 | — | — | 1 | 7.77 |
| CHEMBL5439438 | — | — | 1 | 7.68 |
| CHEMBL4867191 | — | — | 1 | 7.55 |
| CHEMBL5423178 | — | — | 1 | 7.37 |
| CHEMBL4861071 | — | — | 1 | 7.36 |
| CHEMBL5402360 | — | — | 1 | 7.26 |
| CHEMBL5420763 | — | — | 1 | 7.00 |
| CHEMBL5437439 | — | — | 1 | 6.92 |
| CHEMBL5434245 | — | — | 1 | 6.55 |
| CHEMBL5404766 | — | — | 1 | 5.80 |
| CHEMBL5405138 | — | — | 1 | 5.00 |
| CHEMBL1214124 | PERAMPANEL | 4.0 | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL5431872 | — | IC50 | = | 6.0 | nM | 8.22 |
| CHEMBL5428134 | — | IC50 | = | 9.0 | nM | 8.05 |
| CHEMBL5406180 | — | IC50 | = | 12.0 | nM | 7.92 |
| CHEMBL5427542 | — | IC50 | = | 12.0 | nM | 7.92 |
| CHEMBL5399537 | — | IC50 | = | 13.0 | nM | 7.89 |
| CHEMBL5394734 | — | IC50 | = | 16.0 | nM | 7.80 |
| CHEMBL5412903 | — | IC50 | = | 17.0 | nM | 7.77 |
| CHEMBL5439438 | — | IC50 | = | 21.0 | nM | 7.68 |
| CHEMBL4867191 | — | IC50 | = | 28.0 | nM | 7.55 |
| CHEMBL5423178 | — | IC50 | = | 43.0 | nM | 7.37 |
| CHEMBL4861071 | — | IC50 | = | 44.0 | nM | 7.36 |
| CHEMBL5402360 | — | IC50 | = | 55.0 | nM | 7.26 |
| CHEMBL5420763 | — | IC50 | = | 100.0 | nM | 7.00 |
| CHEMBL5437439 | — | IC50 | = | 120.0 | nM | 6.92 |
| CHEMBL5434245 | — | IC50 | = | 280.0 | nM | 6.55 |
| CHEMBL5404766 | — | IC50 | = | 1590.0 | nM | 5.80 |
| CHEMBL5405138 | — | IC50 | = | 9990.0 | nM | 5.00 |
| CHEMBL1214124 | PERAMPANEL | IC50 | ~ | 100000.0 | nM | - |