Assay Detail
Binding
CHEMBL5136648
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 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
33
Total Activities
33
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 |
|---|---|---|---|
| IC50 | 33 | 6.89 | 7.94 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL5169323 | — | — | 1 | 7.94 |
| CHEMBL5186338 | — | — | 1 | 7.86 |
| CHEMBL5208709 | — | — | 1 | 7.84 |
| CHEMBL5204680 | — | — | 1 | 7.81 |
| CHEMBL5177782 | — | — | 1 | 7.74 |
| CHEMBL5184362 | — | — | 1 | 7.69 |
| CHEMBL4855437 | — | — | 1 | 7.46 |
| CHEMBL5188939 | — | — | 1 | 7.26 |
| CHEMBL5189565 | — | — | 1 | 7.22 |
| CHEMBL5173920 | — | — | 1 | 7.14 |
| CHEMBL5207081 | — | — | 1 | 7.06 |
| CHEMBL5197891 | — | — | 1 | 7.05 |
| CHEMBL5204452 | — | — | 1 | 7.04 |
| CHEMBL5192654 | — | — | 1 | 6.93 |
| CHEMBL5178568 | — | — | 1 | 6.90 |
| CHEMBL5204130 | — | — | 1 | 6.84 |
| CHEMBL5204064 | — | — | 1 | 6.83 |
| CHEMBL5199191 | — | — | 1 | 6.80 |
| CHEMBL5186708 | — | — | 1 | 6.78 |
| CHEMBL5181137 | — | — | 1 | 6.72 |
| CHEMBL5192027 | — | — | 1 | 6.63 |
| CHEMBL5207392 | — | — | 1 | 6.60 |
| CHEMBL5194755 | — | — | 1 | 6.59 |
| CHEMBL5202104 | — | — | 1 | 6.55 |
| CHEMBL5169680 | — | — | 1 | 6.54 |
| CHEMBL5189863 | — | — | 1 | 6.50 |
| CHEMBL5199531 | — | — | 1 | 6.46 |
| CHEMBL5191017 | — | — | 1 | 6.34 |
| CHEMBL5174547 | — | — | 1 | 6.32 |
| CHEMBL5178465 | — | — | 1 | 6.26 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL5169323 | — | IC50 | = | 11.4 | nM | 7.94 |
| CHEMBL5186338 | — | IC50 | = | 13.7 | nM | 7.86 |
| CHEMBL5208709 | — | IC50 | = | 14.4 | nM | 7.84 |
| CHEMBL5204680 | — | IC50 | = | 15.5 | nM | 7.81 |
| CHEMBL5177782 | — | IC50 | = | 18.1 | nM | 7.74 |
| CHEMBL5184362 | — | IC50 | = | 20.6 | nM | 7.69 |
| CHEMBL4855437 | — | IC50 | = | 34.4 | nM | 7.46 |
| CHEMBL5188939 | — | IC50 | = | 54.7 | nM | 7.26 |
| CHEMBL5189565 | — | IC50 | = | 60.0 | nM | 7.22 |
| CHEMBL5173920 | — | IC50 | = | 72.3 | nM | 7.14 |
| CHEMBL5207081 | — | IC50 | = | 87.6 | nM | 7.06 |
| CHEMBL5197891 | — | IC50 | = | 88.9 | nM | 7.05 |
| CHEMBL5204452 | — | IC50 | = | 91.4 | nM | 7.04 |
| CHEMBL5192654 | — | IC50 | = | 117.0 | nM | 6.93 |
| CHEMBL5178568 | — | IC50 | = | 125.0 | nM | 6.90 |
| CHEMBL5204130 | — | IC50 | = | 143.0 | nM | 6.84 |
| CHEMBL5204064 | — | IC50 | = | 147.0 | nM | 6.83 |
| CHEMBL5199191 | — | IC50 | = | 159.0 | nM | 6.80 |
| CHEMBL5186708 | — | IC50 | = | 166.0 | nM | 6.78 |
| CHEMBL5181137 | — | IC50 | = | 190.0 | nM | 6.72 |
| CHEMBL5192027 | — | IC50 | = | 235.0 | nM | 6.63 |
| CHEMBL5207392 | — | IC50 | = | 250.0 | nM | 6.60 |
| CHEMBL5194755 | — | IC50 | = | 255.0 | nM | 6.59 |
| CHEMBL5202104 | — | IC50 | = | 281.0 | nM | 6.55 |
| CHEMBL5169680 | — | IC50 | = | 288.0 | nM | 6.54 |
| CHEMBL5189863 | — | IC50 | = | 316.0 | nM | 6.50 |
| CHEMBL5199531 | — | IC50 | = | 349.0 | nM | 6.46 |
| CHEMBL5191017 | — | IC50 | = | 454.0 | nM | 6.34 |
| CHEMBL5174547 | — | IC50 | = | 481.0 | nM | 6.32 |
| CHEMBL5178465 | — | IC50 | = | 551.0 | nM | 6.26 |
| CHEMBL5184334 | — | IC50 | = | 624.0 | nM | 6.21 |
| CHEMBL5207613 | — | IC50 | = | 1220.0 | nM | 5.91 |
| CHEMBL5192248 | — | IC50 | = | 2030.0 | nM | 5.69 |