Assay Detail
Binding
CHEMBL5136655
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Inhibition of recombinant SARS CoV-1 main protease expressed using MCA-AVLQSGFR-K(DNP)-K-NH2 as substrate incubated for 2 hrs by FRET based assay
17
Total Activities
17
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Severe acute respiratory syndrome-related coronavirus |
| Confidence | 0 — Uncurated / Unknown |
| Curated By | Autocuration |
Publication
Small-Molecule Thioesters as SARS-CoV-2 Main Protease Inhibitors: Enzyme Inhibition, Structure-Activity Relationships, Antiviral Activity, and X-ray Structure Determination.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 17 | 6.07 | 7.35 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL1821850 | — | — | 1 | 7.35 |
| CHEMBL5169323 | — | — | 1 | 7.22 |
| CHEMBL5184362 | — | — | 1 | 6.60 |
| CHEMBL5207081 | — | — | 1 | 5.82 |
| CHEMBL5191017 | — | — | 1 | 5.78 |
| CHEMBL5199191 | — | — | 1 | 5.67 |
| CHEMBL5207392 | — | — | 1 | 5.56 |
| CHEMBL5204130 | — | — | 1 | 5.49 |
| CHEMBL5173920 | — | — | 1 | 5.13 |
| CHEMBL5204064 | — | — | 1 | - |
| CHEMBL5204452 | — | — | 1 | - |
| CHEMBL5199531 | — | — | 1 | - |
| CHEMBL5188939 | — | — | 1 | - |
| CHEMBL5177782 | — | — | 1 | - |
| CHEMBL5208709 | — | — | 1 | - |
| CHEMBL5192654 | — | — | 1 | - |
| CHEMBL5189565 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL1821850 | — | IC50 | = | 44.6 | nM | 7.35 |
| CHEMBL5169323 | — | IC50 | = | 60.0 | nM | 7.22 |
| CHEMBL5184362 | — | IC50 | = | 253.0 | nM | 6.60 |
| CHEMBL5207081 | — | IC50 | = | 1520.0 | nM | 5.82 |
| CHEMBL5191017 | — | IC50 | = | 1650.0 | nM | 5.78 |
| CHEMBL5199191 | — | IC50 | = | 2150.0 | nM | 5.67 |
| CHEMBL5207392 | — | IC50 | = | 2760.0 | nM | 5.56 |
| CHEMBL5204130 | — | IC50 | = | 3210.0 | nM | 5.49 |
| CHEMBL5173920 | — | IC50 | = | 7350.0 | nM | 5.13 |
| CHEMBL5204064 | — | IC50 | - | — | - | |
| CHEMBL5204452 | — | IC50 | - | — | - | |
| CHEMBL5199531 | — | IC50 | - | — | - | |
| CHEMBL5188939 | — | IC50 | - | — | - | |
| CHEMBL5177782 | — | IC50 | - | — | - | |
| CHEMBL5208709 | — | IC50 | - | — | - | |
| CHEMBL5192654 | — | IC50 | - | — | - | |
| CHEMBL5189565 | — | IC50 | - | — | - |