Assay Detail
Binding
CHEMBL752571
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In vitro inhibitory activity against neuraminidase
5
Total Activities
5
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | unidentified influenza virus |
| Confidence | 0 — Uncurated / Unknown |
| Curated By | Autocuration |
Publication
Simple, intuitive calculations of free energy of binding for protein-ligand complexes. 2. Computational titration and pH effects in molecular models of neuraminidase-inhibitor complexes.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 5 | 6.92 | 8.40 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL140607 | — | — | 1 | 8.40 |
| CHEMBL73669 | — | — | 1 | 5.44 |
| CHEMBL324455 | — | — | 1 | - |
| CHEMBL109005 | — | — | 1 | - |
| CHEMBL109162 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL140607 | — | IC50 | = | 4.0 | nM | 8.40 |
| CHEMBL73669 | — | IC50 | = | 3600.0 | nM | 5.44 |
| CHEMBL324455 | — | IC50 | = | 750000.0 | nM | - |
| CHEMBL109005 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL109162 | — | IC50 | > | 10000.0 | nM | - |