Assay Detail
Binding
CHEMBL4810314
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Inhibition of SARS-CoV-2 3CLpro preincubated for 30 mins followed by addition of (Dabcyl)KTSAVLQSGFRKM(Glu) peptide substrate and measured after 1.5 hrs by FRET assay
15
Total Activities
15
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 head-to-head comparison of the inhibitory activities of 15 peptidomimetic SARS-CoV-2 3CLpro inhibitors.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 15 | 7.47 | 8.10 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL4777223 | PF-00835231 | -1.0 | 1 | 8.10 |
| CHEMBL4852855 | — | — | 1 | 8.05 |
| CHEMBL4796938 | — | — | 1 | 7.85 |
| CHEMBL4764751 | — | — | 1 | 7.64 |
| CHEMBL3559293 | — | — | 1 | 7.47 |
| CHEMBL4850298 | — | — | 1 | 7.38 |
| CHEMBL4857345 | — | — | 1 | 7.19 |
| CHEMBL2316746 | — | — | 1 | 7.03 |
| CHEMBL213543 | — | — | 1 | 6.54 |
| CHEMBL2402501 | — | — | 1 | - |
| CHEMBL4868590 | — | — | 1 | - |
| CHEMBL92708 | CALPEPTIN | — | 1 | - |
| CHEMBL4518490 | — | — | 1 | - |
| CHEMBL64925 | MG-132 | — | 1 | - |
| CHEMBL231813 | TELAPREVIR | 4.0 | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL4777223 | PF-00835231 | IC50 | = | 8.0 | nM | 8.10 |
| CHEMBL4852855 | — | IC50 | = | 9.0 | nM | 8.05 |
| CHEMBL4796938 | — | IC50 | = | 14.0 | nM | 7.85 |
| CHEMBL4764751 | — | IC50 | = | 23.0 | nM | 7.64 |
| CHEMBL3559293 | — | IC50 | = | 34.0 | nM | 7.47 |
| CHEMBL4850298 | — | IC50 | = | 42.0 | nM | 7.38 |
| CHEMBL4857345 | — | IC50 | = | 65.0 | nM | 7.19 |
| CHEMBL2316746 | — | IC50 | = | 94.0 | nM | 7.03 |
| CHEMBL213543 | — | IC50 | = | 286.0 | nM | 6.54 |
| CHEMBL2402501 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL4868590 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL92708 | CALPEPTIN | IC50 | > | 10000.0 | nM | - |
| CHEMBL4518490 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL64925 | MG-132 | IC50 | > | 10000.0 | nM | - |
| CHEMBL231813 | TELAPREVIR | IC50 | > | 10000.0 | nM | - |