Assay Detail
Binding
CHEMBL1034439
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Inhibition of WNV NS2B-NS3 protease
7
Total Activities
7
Compounds Tested
2
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | West Nile virus |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Publication
Flaviviral protease inhibitors identified by fragment-based library docking into a structure generated by molecular dynamics.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 4 | 5.06 | 5.39 |
| Ki | 3 | 4.72 | 4.89 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL200474 | — | — | 1 | 5.39 |
| CHEMBL560828 | — | — | 1 | 5.28 |
| CHEMBL565114 | — | — | 1 | 4.97 |
| CHEMBL539922 | — | — | 1 | 4.89 |
| CHEMBL553696 | — | — | 1 | 4.80 |
| CHEMBL550485 | — | — | 1 | 4.61 |
| CHEMBL540681 | — | — | 1 | 4.46 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL200474 | — | IC50 | = | 4100.0 | nM | 5.39 |
| CHEMBL560828 | — | IC50 | = | 5200.0 | nM | 5.28 |
| CHEMBL565114 | — | IC50 | = | 10600.0 | nM | 4.97 |
| CHEMBL539922 | — | Ki | = | 13000.0 | nM | 4.89 |
| CHEMBL553696 | — | Ki | = | 16000.0 | nM | 4.80 |
| CHEMBL550485 | — | IC50 | = | 24500.0 | nM | 4.61 |
| CHEMBL540681 | — | Ki | = | 35000.0 | nM | 4.46 |