Assay Detail
Binding
CHEMBL4158661
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Binding affinity to human His-thioredoxin-tagged HDAC8 expressed in Escherichia coli BL21 (DE3) cells by ITC method
12
Total Activities
3
Compounds Tested
4
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Homo sapiens |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Publication
Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Kd | 3 | 7.27 | 7.64 |
| deltaG | 3 | - | - |
| deltaH | 3 | - | - |
| -TdeltaS | 3 | - | - |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL2105763 | QUISINOSTAT | 2.0 | 4 | 7.64 |
| CHEMBL2170177 | — | — | 4 | 7.12 |
| CHEMBL2178342 | — | — | 4 | 7.05 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL2105763 | QUISINOSTAT | Kd | = | 22.7 | nM | 7.64 |
| CHEMBL2170177 | — | Kd | = | 75.1 | nM | 7.12 |
| CHEMBL2178342 | — | Kd | = | 89.6 | nM | 7.05 |
| CHEMBL2170177 | — | deltaG | = | -9.7 | kcal/mol | - |
| CHEMBL2170177 | — | deltaH | = | -11.0 | kcal/mol | - |
| CHEMBL2170177 | — | -TdeltaS | = | 1.3 | kcal/mol | - |
| CHEMBL2178342 | — | deltaG | = | -9.6 | kcal/mol | - |
| CHEMBL2178342 | — | deltaH | = | -10.3 | kcal/mol | - |
| CHEMBL2178342 | — | -TdeltaS | = | 0.7 | kcal/mol | - |
| CHEMBL2105763 | QUISINOSTAT | deltaG | = | -10.4 | kcal/mol | - |
| CHEMBL2105763 | QUISINOSTAT | deltaH | = | -12.7 | kcal/mol | - |
| CHEMBL2105763 | QUISINOSTAT | -TdeltaS | = | 2.3 | kcal/mol | - |