Assay Detail
Binding
CHEMBL3107396
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Inhibition of SARS coronavirus 3C-like protease using 5-FAM-TSATLQSGFRK(QXL520)-NH2 as substrate preincubated for 5 mins followed by substrate addition measured after 6 mins by FRET assay in presence of GSH
14
Total Activities
14
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Severe acute respiratory syndrome-related coronavirus |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Target
Replicase polyprotein 1ab (CHEMBL5118) ↗| Type | SINGLE PROTEIN |
| Organism | Severe acute respiratory syndrome-related coronavirus |
Publication
Identification of novel drug scaffolds for inhibition of SARS-CoV 3-Chymotrypsin-like protease using virtual and high-throughput screenings.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 14 | 4.50 | 5.04 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL3105073 | — | — | 1 | 5.04 |
| CHEMBL554041 | ALEXIDINE DIHYDROCHLORIDE | — | 1 | 4.75 |
| CHEMBL3105076 | — | — | 1 | 4.69 |
| CHEMBL3105074 | — | — | 1 | 4.61 |
| CHEMBL3105075 | — | — | 1 | 4.55 |
| CHEMBL1487869 | — | — | 1 | 4.51 |
| CHEMBL1906723 | — | — | 1 | 4.39 |
| CHEMBL1478361 | — | — | 1 | 4.21 |
| CHEMBL1732790 | — | — | 1 | 4.13 |
| CHEMBL1392147 | — | — | 1 | 4.12 |
| CHEMBL1876821 | — | — | 1 | - |
| CHEMBL3105072 | — | — | 1 | - |
| CHEMBL3105071 | — | — | 1 | - |
| CHEMBL1488602 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL3105073 | — | IC50 | = | 9200.0 | nM | 5.04 |
| CHEMBL554041 | ALEXIDINE DIHYDROCHLORIDE | IC50 | = | 17800.0 | nM | 4.75 |
| CHEMBL3105076 | — | IC50 | = | 20400.0 | nM | 4.69 |
| CHEMBL3105074 | — | IC50 | = | 24500.0 | nM | 4.61 |
| CHEMBL3105075 | — | IC50 | = | 28300.0 | nM | 4.55 |
| CHEMBL1487869 | — | IC50 | = | 30900.0 | nM | 4.51 |
| CHEMBL1906723 | — | IC50 | = | 40900.0 | nM | 4.39 |
| CHEMBL1478361 | — | IC50 | = | 61900.0 | nM | 4.21 |
| CHEMBL1732790 | — | IC50 | = | 74500.0 | nM | 4.13 |
| CHEMBL1392147 | — | IC50 | = | 76700.0 | nM | 4.12 |
| CHEMBL1876821 | — | IC50 | > | 200000.0 | nM | - |
| CHEMBL3105072 | — | IC50 | > | 200000.0 | nM | - |
| CHEMBL3105071 | — | IC50 | > | 200000.0 | nM | - |
| CHEMBL1488602 | — | IC50 | = | 186000.0 | nM | - |