Assay Detail
Binding
CHEMBL5112747
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Inhibition of recombinant full length SARS-CoV-2 3CLpro expressed in Escherichia coli using Ac-Abu-Tle-Leu-Gln-MCA as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measured for 6 hrs by multimode plate reader analysis
9
Total Activities
9
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
Discovery of Chlorofluoroacetamide-Based Covalent Inhibitors for Severe Acute Respiratory Syndrome Coronavirus 2 3CL Protease.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 9 | 7.87 | 9.10 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL4802135 | NIRMATRELVIR | 4.0 | 1 | 9.10 |
| CHEMBL4777223 | PF-00835231 | -1.0 | 1 | 8.77 |
| CHEMBL5179778 | — | — | 1 | 8.42 |
| CHEMBL5179611 | — | — | 1 | 8.32 |
| CHEMBL5198073 | — | — | 1 | 8.02 |
| CHEMBL5195394 | — | — | 1 | 7.81 |
| CHEMBL5190754 | — | — | 1 | 7.55 |
| CHEMBL5172924 | — | — | 1 | 6.48 |
| CHEMBL5197241 | — | — | 1 | 6.33 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL4802135 | NIRMATRELVIR | IC50 | = | 0.79 | nM | 9.10 |
| CHEMBL4777223 | PF-00835231 | IC50 | = | 1.7 | nM | 8.77 |
| CHEMBL5179778 | — | IC50 | = | 3.8 | nM | 8.42 |
| CHEMBL5179611 | — | IC50 | = | 4.8 | nM | 8.32 |
| CHEMBL5198073 | — | IC50 | = | 9.5 | nM | 8.02 |
| CHEMBL5195394 | — | IC50 | = | 15.6 | nM | 7.81 |
| CHEMBL5190754 | — | IC50 | = | 28.0 | nM | 7.55 |
| CHEMBL5172924 | — | IC50 | = | 332.0 | nM | 6.48 |
| CHEMBL5197241 | — | IC50 | = | 464.0 | nM | 6.33 |