Assay Detail
Binding
CHEMBL5142713
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Inhibition of full length SARS-CoV-2 3CLpro expressed in Escherichia coli BL21 (DE3) cells using (DABCYL)KTSAVLQSGFRKM(Glu)(EDANS) peptide as substrate preincubated for 30 mins followed by substrate addition and measured after 1.5 hrs by FRET assay
11
Total Activities
11
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 Warhead Substitution Study on the Coronavirus Main Protease Inhibitor Nirmatrelvir.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 11 | 7.69 | 8.10 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL5182995 | — | — | 1 | 8.10 |
| CHEMBL5173582 | — | — | 1 | 8.00 |
| CHEMBL5183165 | — | — | 1 | 7.72 |
| CHEMBL5174632 | — | — | 1 | 7.57 |
| CHEMBL5185801 | — | — | 1 | 7.57 |
| CHEMBL4802135 | NIRMATRELVIR | 4.0 | 1 | 7.51 |
| CHEMBL5173858 | — | — | 1 | 7.36 |
| CHEMBL5199404 | — | — | 1 | - |
| CHEMBL5207993 | — | — | 1 | - |
| CHEMBL5178853 | — | — | 1 | - |
| CHEMBL5208243 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL5182995 | — | IC50 | = | 8.0 | nM | 8.10 |
| CHEMBL5173582 | — | IC50 | = | 10.0 | nM | 8.00 |
| CHEMBL5183165 | — | IC50 | = | 19.0 | nM | 7.72 |
| CHEMBL5174632 | — | IC50 | = | 27.0 | nM | 7.57 |
| CHEMBL5185801 | — | IC50 | = | 27.0 | nM | 7.57 |
| CHEMBL4802135 | NIRMATRELVIR | IC50 | = | 31.0 | nM | 7.51 |
| CHEMBL5173858 | — | IC50 | = | 44.0 | nM | 7.36 |
| CHEMBL5199404 | — | IC50 | > | 100000.0 | nM | - |
| CHEMBL5207993 | — | IC50 | > | 100000.0 | nM | - |
| CHEMBL5178853 | — | IC50 | > | 100000.0 | nM | - |
| CHEMBL5208243 | — | IC50 | > | 100000.0 | nM | - |