Assay Detail
Binding
CHEMBL813658
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Binding affinity against human thrombin
4
Total Activities
3
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
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 | 5.83 | 6.43 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL82285 | — | — | 1 | 6.43 |
| CHEMBL20936 | BENZAMIDINE | — | 2 | 5.91 |
| CHEMBL81887 | — | — | 1 | 5.05 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL82285 | — | Ki | = | 374.0 | nM | 6.43 |
| CHEMBL20936 | BENZAMIDINE | Ki | = | 1240.0 | nM | 5.91 |
| CHEMBL20936 | BENZAMIDINE | Ki | = | 1240.0 | nM | 5.91 |
| CHEMBL81887 | — | Ki | = | 9000.0 | nM | 5.05 |