Assay Detail
Binding
CHEMBL699157
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Compound was tested for binding affinity against hydroxynitrile lyase
2
Total Activities
2
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Hevea brasiliensis |
| Confidence | 0 — Uncurated / Unknown |
| Curated By | Autocuration |
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 | 2 | 4.89 | 5.26 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL84336 | THIOCYANIC ACID | — | 1 | 5.26 |
| CHEMBL14253 | ACETONE | -1.0 | 1 | 4.52 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL84336 | THIOCYANIC ACID | Ki | = | 5500.0 | nM | 5.26 |
| CHEMBL14253 | ACETONE | Ki | = | 30000.0 | nM | 4.52 |