Assay Detail
Binding
CHEMBL817554
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Binding affinity against bovine Thrombin
4
Total Activities
4
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Bos taurus |
| Confidence | 9 — Direct 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 | 4 | 5.08 | 5.89 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL1160522 | — | — | 1 | 5.89 |
| CHEMBL315611 | — | — | 1 | 4.72 |
| CHEMBL24097 | — | — | 1 | 4.64 |
| CHEMBL51173 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL1160522 | — | Ki | = | 1300.0 | nM | 5.89 |
| CHEMBL315611 | — | Ki | = | 19000.0 | nM | 4.72 |
| CHEMBL24097 | — | Ki | = | 23000.0 | nM | 4.64 |
| CHEMBL51173 | — | Ki | = | 6000.0 | nM | - |