Assay Detail
Binding
CHEMBL5733860
Review assay metadata, readout intent, target linkage, and publication context from the same page.
HDAC Enzyme Inhibition: The HDAC activity inhibition assay was performed as follows to determine the ability of a test compound to inhibit HDAC enzymatic activity. Serial dilutions of HDAC inhibitors were prepared in HDAC assay buffer (25 mM Tris/HCl, pH 8.0, 137 mM NaCl, 2.7 mM KCl, 1 mM MgCl2, pH 8) in 96-well assay plates (Fisher scientific, #07-200-309) and were pre-incubated for 2 hours at room temperature in the presence of 125 μg/ml BSA and purified HDAC1 (BPS Bioscience, San Diego, Calif., #50051), HDAC2 (BPS Bioscience, #50053), or HDAC3/NcoR2 (BPS Bioscience, #50003) at concentrations of 1.25, 1.32, and 0.167 μg/mL, respectively. Following pre-incubation, Fluor-de-Lys substrate (Enzo Life Sciences, Plymouth Meeting, Pa., BML-KI104-0050) was added to a final concentration of 10 μM and plates were further incubated for 30 minutes at room temperature. The enzymatic reaction was stopped by addition of Trichostatin A (Sigma-Aldrich, St Louis, Mo., #T8552, final concentration: 100 nM) and trypsin (MP Biomedicals, Solon, Ohio, #02101179) was added to reach a final concentration of 100 μg/mL. After a 15 minute incubation at room temperature, fluorescence was recorded using a Spectramax M2 fluorometer (Molecular Devices, Sunnyvale, Calif.) with excitation at 365 nm and emission at 460 nm. IC50 values were calculated by using a sigmoidal dose-response (variable slope) equation in GraphPad Prism® 5 for Windows (GraphPad Software, La Jolla, Calif.).
177
Total Activities
58
Compounds Tested
3
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Homo sapiens |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Publication
Histone deacetylase inhibitors
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 59 | 5.40 | 5.52 |
| kon | 59 | - | - |
| k_off | 59 | - | - |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL5956192 | — | — | 3 | 5.52 |
| CHEMBL5987727 | — | — | 3 | 5.52 |
| CHEMBL5848622 | — | — | 3 | 5.52 |
| CHEMBL6049473 | — | — | 3 | 5.52 |
| CHEMBL5978252 | — | — | 3 | 5.52 |
| CHEMBL5921351 | — | — | 3 | 5.52 |
| CHEMBL5969380 | — | — | 3 | 5.52 |
| CHEMBL6001535 | — | — | 3 | 5.52 |
| CHEMBL5816687 | — | — | 3 | 5.52 |
| CHEMBL5949494 | — | — | 3 | 5.52 |
| CHEMBL5756304 | — | — | 3 | 5.52 |
| CHEMBL5899637 | — | — | 3 | 5.52 |
| CHEMBL6025331 | — | — | 3 | 5.52 |
| CHEMBL5915169 | — | — | 3 | 5.52 |
| CHEMBL5832250 | — | — | 3 | 5.52 |
| CHEMBL6013824 | — | — | 3 | 5.52 |
| CHEMBL6054033 | — | — | 3 | 5.52 |
| CHEMBL5983429 | — | — | 3 | 5.52 |
| CHEMBL5859207 | — | — | 3 | 5.52 |
| CHEMBL5795091 | — | — | 3 | 5.52 |
| CHEMBL5864587 | — | — | 3 | 5.52 |
| CHEMBL5746970 | — | — | 3 | 5.52 |
| CHEMBL5808799 | — | — | 3 | 5.52 |
| CHEMBL4078477 | — | — | 3 | 5.52 |
| CHEMBL5754506 | — | — | 3 | 5.52 |
| CHEMBL6055385 | — | — | 3 | 5.12 |
| CHEMBL5993711 | — | — | 3 | 5.12 |
| CHEMBL5788877 | — | — | 3 | 5.12 |
| CHEMBL6052509 | — | — | 3 | 5.12 |
| CHEMBL6062115 | — | — | 3 | 5.12 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL6025331 | — | IC50 | = | 3000.0 | nM | 5.52 |
| CHEMBL5832250 | — | IC50 | = | 3000.0 | nM | 5.52 |
| CHEMBL5864587 | — | IC50 | = | 3000.0 | nM | 5.52 |
| CHEMBL5746970 | — | IC50 | = | 3000.0 | nM | 5.52 |
| CHEMBL5969380 | — | IC50 | = | 3000.0 | nM | 5.52 |
| CHEMBL5816687 | — | IC50 | = | 3000.0 | nM | 5.52 |
| CHEMBL5808799 | — | IC50 | = | 3000.0 | nM | 5.52 |
| CHEMBL6001535 | — | IC50 | = | 3000.0 | nM | 5.52 |
| CHEMBL4078477 | — | IC50 | = | 3000.0 | nM | 5.52 |
| CHEMBL5921351 | — | IC50 | = | 3000.0 | nM | 5.52 |
| CHEMBL5795091 | — | IC50 | = | 3000.0 | nM | 5.52 |
| CHEMBL5978252 | — | IC50 | = | 3000.0 | nM | 5.52 |
| CHEMBL5859207 | — | IC50 | = | 3000.0 | nM | 5.52 |
| CHEMBL5848622 | — | IC50 | = | 3000.0 | nM | 5.52 |
| CHEMBL5915169 | — | IC50 | = | 3000.0 | nM | 5.52 |
| CHEMBL5983429 | — | IC50 | = | 3000.0 | nM | 5.52 |
| CHEMBL5987727 | — | IC50 | = | 3000.0 | nM | 5.52 |
| CHEMBL5949494 | — | IC50 | = | 3000.0 | nM | 5.52 |
| CHEMBL6054033 | — | IC50 | = | 3000.0 | nM | 5.52 |
| CHEMBL5756304 | — | IC50 | = | 3000.0 | nM | 5.52 |
| CHEMBL6013824 | — | IC50 | = | 3000.0 | nM | 5.52 |
| CHEMBL6049473 | — | IC50 | = | 3000.0 | nM | 5.52 |
| CHEMBL5899637 | — | IC50 | = | 3000.0 | nM | 5.52 |
| CHEMBL5956192 | — | IC50 | = | 3000.0 | nM | 5.52 |
| CHEMBL5754506 | — | IC50 | = | 3000.0 | nM | 5.52 |
| CHEMBL6052509 | — | IC50 | = | 7500.0 | nM | 5.12 |
| CHEMBL6062115 | — | IC50 | = | 7500.0 | nM | 5.12 |
| CHEMBL6055385 | — | IC50 | = | 7500.0 | nM | 5.12 |
| CHEMBL5788877 | — | IC50 | = | 7500.0 | nM | 5.12 |
| CHEMBL5865928 | — | IC50 | = | 7500.0 | nM | 5.12 |
| CHEMBL5993711 | — | IC50 | = | 7500.0 | nM | 5.12 |
| CHEMBL6002395 | — | IC50 | = | 15000.0 | nM | 4.82 |
| CHEMBL6043629 | — | IC50 | = | 15000.0 | nM | 4.82 |
| CHEMBL5832250 | — | k_off | = | - | s-1 | - |
| CHEMBL6002395 | — | k_off | = | - | s-1 | - |
| CHEMBL5788877 | — | k_off | = | - | s-1 | - |
| CHEMBL5788877 | — | kon | = | - | — | - |
| CHEMBL5899637 | — | kon | = | - | — | - |
| CHEMBL6004185 | — | IC50 | < | 1000.0 | nM | - |
| CHEMBL6052509 | — | k_off | = | - | s-1 | - |
| CHEMBL5934550 | — | k_off | = | - | s-1 | - |
| CHEMBL6004185 | — | kon | = | - | — | - |
| CHEMBL5993711 | — | k_off | = | - | s-1 | - |
| CHEMBL6004185 | — | k_off | = | - | s-1 | - |
| CHEMBL5934550 | — | kon | = | - | — | - |
| CHEMBL6052509 | — | kon | = | - | — | - |
| CHEMBL5754506 | — | kon | = | - | — | - |
| CHEMBL5754506 | — | k_off | = | - | s-1 | - |
| CHEMBL5832250 | — | kon | = | - | — | - |
| CHEMBL5934550 | — | IC50 | > | 20000.0 | nM | - |