Assay Detail
Binding
CHEMBL838759
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Predicted binding affinity for beta secretase by linear interaction energy continuum electrostatics
4
Total Activities
4
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Homo sapiens |
| Confidence | 9 — Direct single protein target |
| Curated By | Expert |
Publication
Discovery of cell-permeable non-peptide inhibitors of beta-secretase by high-throughput docking and continuum electrostatics calculations.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 4 | 4.92 | 5.09 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL370043 | — | — | 1 | 5.09 |
| CHEMBL363539 | — | — | 1 | 5.03 |
| CHEMBL190644 | — | — | 1 | 5.01 |
| CHEMBL190346 | — | — | 1 | 4.54 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL370043 | — | Ki | = | 8100.0 | nM | 5.09 |
| CHEMBL363539 | — | Ki | = | 9400.0 | nM | 5.03 |
| CHEMBL190644 | — | Ki | = | 9800.0 | nM | 5.01 |
| CHEMBL190346 | — | Ki | = | 28800.0 | nM | 4.54 |