Assay Detail
Binding
CHEMBL5136650
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Inhibition of recombinant his tagged SARS CoV-2 main protease expressed in Escherichia coli BL21 assessed as inhibition constant using Boc-Abu-Tle-Leu-Gln-AMC37 as fluorogenic substrate pre-incubated for 5 mins followed by substrate addition measured after 60 mins by FRET based assay
29
Total Activities
29
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
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 |
|---|---|---|---|
| Ki | 29 | 7.07 | 7.89 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL5194755 | — | — | 1 | 7.89 |
| CHEMBL5169323 | — | — | 1 | 7.85 |
| CHEMBL5178465 | — | — | 1 | 7.68 |
| CHEMBL5191017 | — | — | 1 | 7.68 |
| CHEMBL5207081 | — | — | 1 | 7.48 |
| CHEMBL5207392 | — | — | 1 | 7.46 |
| CHEMBL5189863 | — | — | 1 | 7.45 |
| CHEMBL5178568 | — | — | 1 | 7.38 |
| CHEMBL5204452 | — | — | 1 | 7.37 |
| CHEMBL5197891 | — | — | 1 | 7.29 |
| CHEMBL5192654 | — | — | 1 | 7.14 |
| CHEMBL5204130 | — | — | 1 | 7.13 |
| CHEMBL5202104 | — | — | 1 | 7.11 |
| CHEMBL5204064 | — | — | 1 | 7.07 |
| CHEMBL5207613 | — | — | 1 | 6.92 |
| CHEMBL5181137 | — | — | 1 | 6.79 |
| CHEMBL5188939 | — | — | 1 | 6.73 |
| CHEMBL5199191 | — | — | 1 | 6.60 |
| CHEMBL5199531 | — | — | 1 | 6.53 |
| CHEMBL5173920 | — | — | 1 | 6.41 |
| CHEMBL5192027 | — | — | 1 | 6.22 |
| CHEMBL5186708 | — | — | 1 | 6.21 |
| CHEMBL5192248 | — | — | 1 | 6.11 |
| CHEMBL5184362 | — | — | 1 | - |
| CHEMBL5208709 | — | — | 1 | - |
| CHEMBL5177782 | — | — | 1 | - |
| CHEMBL5174547 | — | — | 1 | - |
| CHEMBL5189565 | — | — | 1 | - |
| CHEMBL5184334 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL5194755 | — | Ki | = | 13.0 | nM | 7.89 |
| CHEMBL5169323 | — | Ki | = | 14.1 | nM | 7.85 |
| CHEMBL5178465 | — | Ki | = | 21.0 | nM | 7.68 |
| CHEMBL5191017 | — | Ki | = | 21.1 | nM | 7.68 |
| CHEMBL5207081 | — | Ki | = | 33.2 | nM | 7.48 |
| CHEMBL5207392 | — | Ki | = | 34.4 | nM | 7.46 |
| CHEMBL5189863 | — | Ki | = | 35.7 | nM | 7.45 |
| CHEMBL5178568 | — | Ki | = | 42.0 | nM | 7.38 |
| CHEMBL5204452 | — | Ki | = | 43.0 | nM | 7.37 |
| CHEMBL5197891 | — | Ki | = | 51.0 | nM | 7.29 |
| CHEMBL5192654 | — | Ki | = | 72.6 | nM | 7.14 |
| CHEMBL5204130 | — | Ki | = | 74.4 | nM | 7.13 |
| CHEMBL5202104 | — | Ki | = | 77.3 | nM | 7.11 |
| CHEMBL5204064 | — | Ki | = | 84.4 | nM | 7.07 |
| CHEMBL5207613 | — | Ki | = | 119.0 | nM | 6.92 |
| CHEMBL5181137 | — | Ki | = | 161.0 | nM | 6.79 |
| CHEMBL5188939 | — | Ki | = | 186.0 | nM | 6.73 |
| CHEMBL5199191 | — | Ki | = | 250.0 | nM | 6.60 |
| CHEMBL5199531 | — | Ki | = | 295.0 | nM | 6.53 |
| CHEMBL5173920 | — | Ki | = | 393.0 | nM | 6.41 |
| CHEMBL5192027 | — | Ki | = | 605.0 | nM | 6.22 |
| CHEMBL5186708 | — | Ki | = | 612.0 | nM | 6.21 |
| CHEMBL5192248 | — | Ki | = | 773.0 | nM | 6.11 |
| CHEMBL5184362 | — | Ki | - | — | - | |
| CHEMBL5208709 | — | Ki | - | — | - | |
| CHEMBL5177782 | — | Ki | - | — | - | |
| CHEMBL5174547 | — | Ki | - | — | - | |
| CHEMBL5189565 | — | Ki | - | — | - | |
| CHEMBL5184334 | — | Ki | - | — | - |