Assay Detail
Binding
CHEMBL5544527
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Inhibition of N-terminal hexa-histidine tagged SARS-CoV-2 main protease expressed in Escherichia coli BL21 (DE3) using HiLyte Fluor 488TM-ESATLQSGLRKAK-QXL520TM-NH2 as substrate by FRET assay
16
Total Activities
16
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
Exploration of P1 and P4 modifications of nirmatrelvir: Design, synthesis, biological evaluation, and X-ray structural studies of SARS-CoV-2 Mpro inhibitors.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 16 | 8.74 | 10.60 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL5563071 | — | — | 1 | 10.60 |
| CHEMBL5574604 | — | — | 1 | 10.40 |
| CHEMBL5569828 | — | — | 1 | 10.05 |
| CHEMBL5569267 | — | — | 1 | 10.03 |
| CHEMBL5589941 | — | — | 1 | 9.70 |
| CHEMBL4802135 | NIRMATRELVIR | 4.0 | 1 | 9.59 |
| CHEMBL5178656 | — | — | 1 | 9.36 |
| CHEMBL5594793 | — | — | 1 | 9.31 |
| CHEMBL5590149 | — | — | 1 | 8.96 |
| CHEMBL5563277 | — | — | 1 | 8.48 |
| CHEMBL5593536 | — | — | 1 | 8.11 |
| CHEMBL5570206 | — | — | 1 | 8.11 |
| CHEMBL5202626 | — | — | 1 | 7.66 |
| CHEMBL5563372 | — | — | 1 | 7.49 |
| CHEMBL5570219 | — | — | 1 | 7.43 |
| CHEMBL5570083 | — | — | 1 | 4.49 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL5563071 | — | Ki | = | 0.025 | nM | 10.60 |
| CHEMBL5574604 | — | Ki | = | 0.04 | nM | 10.40 |
| CHEMBL5569828 | — | Ki | = | 0.09 | nM | 10.05 |
| CHEMBL5569267 | — | Ki | = | 0.094 | nM | 10.03 |
| CHEMBL5589941 | — | Ki | = | 0.2 | nM | 9.70 |
| CHEMBL4802135 | NIRMATRELVIR | Ki | = | 0.26 | nM | 9.59 |
| CHEMBL5178656 | — | Ki | = | 0.44 | nM | 9.36 |
| CHEMBL5594793 | — | Ki | = | 0.49 | nM | 9.31 |
| CHEMBL5590149 | — | Ki | = | 1.1 | nM | 8.96 |
| CHEMBL5563277 | — | Ki | = | 3.3 | nM | 8.48 |
| CHEMBL5593536 | — | Ki | = | 7.7 | nM | 8.11 |
| CHEMBL5570206 | — | Ki | = | 7.8 | nM | 8.11 |
| CHEMBL5202626 | — | Ki | = | 22.1 | nM | 7.66 |
| CHEMBL5563372 | — | Ki | = | 32.2 | nM | 7.49 |
| CHEMBL5570219 | — | Ki | = | 36.9 | nM | 7.43 |
| CHEMBL5570083 | — | Ki | = | 32300.0 | nM | 4.49 |