Assay Detail
Binding
CHEMBL803023
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Binding affinity against saccharopepsin
3
Total Activities
3
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Confidence | 8 — Homologous single protein target |
| Curated By | Expert |
Publication
Simple, intuitive calculations of free energy of binding for protein-ligand complexes. 1. Models without explicit constrained water.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 3 | 5.56 | 6.40 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL83697 | — | — | 1 | 6.40 |
| CHEMBL3142429 | — | — | 1 | 5.43 |
| CHEMBL266334 | — | — | 1 | 4.85 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL83697 | — | Ki | = | 400.0 | nM | 6.40 |
| CHEMBL3142429 | — | Ki | = | 3740.0 | nM | 5.43 |
| CHEMBL266334 | — | Ki | = | 14000.0 | nM | 4.85 |