Assay Detail
Binding
CHEMBL5579904
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Inhibition of SARS CoV-2 main protease
43
Total Activities
41
Compounds Tested
2
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
Discovery of 3-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin derivatives as SARS-CoV-2 main protease inhibitors through virtual screening and biological evaluation.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 41 | 5.52 | 7.66 |
| Inhibition | 2 | - | - |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL5594068 | — | — | 1 | 7.66 |
| CHEMBL4802135 | NIRMATRELVIR | 4.0 | 1 | 7.53 |
| CHEMBL3545157 | TIDEGLUSIB | 2.0 | 1 | 6.52 |
| CHEMBL5593580 | — | — | 1 | 5.40 |
| CHEMBL5591288 | — | — | 2 | 5.36 |
| CHEMBL5595865 | — | — | 1 | 5.35 |
| CHEMBL5590459 | — | — | 1 | 5.30 |
| CHEMBL5591539 | — | — | 1 | 5.29 |
| CHEMBL5593903 | — | — | 1 | 5.28 |
| CHEMBL5595272 | — | — | 1 | 5.25 |
| CHEMBL5591010 | — | — | 2 | 5.21 |
| CHEMBL5592599 | — | — | 1 | 5.21 |
| CHEMBL1620799 | — | — | 1 | 5.16 |
| CHEMBL5584157 | — | — | 1 | 5.08 |
| CHEMBL5592993 | — | — | 1 | 5.07 |
| CHEMBL5591320 | — | — | 1 | 5.07 |
| CHEMBL5593882 | — | — | 1 | 5.06 |
| CHEMBL5591923 | — | — | 1 | 5.05 |
| CHEMBL5593227 | — | — | 1 | 5.02 |
| CHEMBL5583686 | — | — | 1 | - |
| CHEMBL5583806 | — | — | 1 | - |
| CHEMBL5591681 | — | — | 1 | - |
| CHEMBL1626038 | — | — | 1 | - |
| CHEMBL5595688 | — | — | 1 | - |
| CHEMBL5593236 | — | — | 1 | - |
| CHEMBL5593789 | — | — | 1 | - |
| CHEMBL5583736 | — | — | 1 | - |
| CHEMBL5592938 | — | — | 1 | - |
| CHEMBL5591459 | — | — | 1 | - |
| CHEMBL5593503 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL5594068 | — | IC50 | = | 22.0 | nM | 7.66 |
| CHEMBL4802135 | NIRMATRELVIR | IC50 | = | 29.6 | nM | 7.53 |
| CHEMBL3545157 | TIDEGLUSIB | IC50 | = | 300.0 | nM | 6.52 |
| CHEMBL5593580 | — | IC50 | = | 4000.0 | nM | 5.40 |
| CHEMBL5591288 | — | IC50 | = | 4400.0 | nM | 5.36 |
| CHEMBL5595865 | — | IC50 | = | 4500.0 | nM | 5.35 |
| CHEMBL5590459 | — | IC50 | = | 5000.0 | nM | 5.30 |
| CHEMBL5591539 | — | IC50 | = | 5100.0 | nM | 5.29 |
| CHEMBL5593903 | — | IC50 | = | 5200.0 | nM | 5.28 |
| CHEMBL5595272 | — | IC50 | = | 5600.0 | nM | 5.25 |
| CHEMBL5591010 | — | IC50 | = | 6100.0 | nM | 5.21 |
| CHEMBL5592599 | — | IC50 | = | 6100.0 | nM | 5.21 |
| CHEMBL1620799 | — | IC50 | = | 6900.0 | nM | 5.16 |
| CHEMBL5584157 | — | IC50 | = | 8300.0 | nM | 5.08 |
| CHEMBL5592993 | — | IC50 | = | 8600.0 | nM | 5.07 |
| CHEMBL5591320 | — | IC50 | = | 8500.0 | nM | 5.07 |
| CHEMBL5593882 | — | IC50 | = | 8800.0 | nM | 5.06 |
| CHEMBL5591923 | — | IC50 | = | 8900.0 | nM | 5.05 |
| CHEMBL5593227 | — | IC50 | = | 9600.0 | nM | 5.02 |
| CHEMBL5591872 | — | IC50 | - | — | - | |
| CHEMBL5593654 | — | IC50 | - | — | - | |
| CHEMBL5592788 | — | IC50 | - | — | - | |
| CHEMBL5595271 | — | IC50 | - | — | - | |
| CHEMBL5594116 | — | IC50 | - | — | - | |
| CHEMBL5590214 | — | IC50 | - | — | - | |
| CHEMBL5594189 | — | IC50 | - | — | - | |
| CHEMBL5594324 | — | IC50 | - | — | - | |
| CHEMBL5594496 | — | IC50 | - | — | - | |
| CHEMBL5583686 | — | IC50 | - | — | - | |
| CHEMBL5592760 | — | IC50 | - | — | - | |
| CHEMBL5593503 | — | IC50 | - | — | - | |
| CHEMBL5591459 | — | IC50 | - | — | - | |
| CHEMBL5592938 | — | IC50 | - | — | - | |
| CHEMBL5583736 | — | IC50 | - | — | - | |
| CHEMBL5593789 | — | IC50 | - | — | - | |
| CHEMBL5593236 | — | IC50 | - | — | - | |
| CHEMBL5595688 | — | IC50 | - | — | - | |
| CHEMBL1626038 | — | IC50 | - | — | - | |
| CHEMBL5591681 | — | IC50 | - | — | - | |
| CHEMBL5591010 | — | Inhibition | - | % | - | |
| CHEMBL5591288 | — | Inhibition | - | % | - | |
| CHEMBL5583806 | — | IC50 | - | — | - | |
| CHEMBL1622141 | — | IC50 | - | — | - |