Assay Detail
Binding
CHEMBL5732791
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Inhibition Assay: Key enzyme kinetic parameters for one class I HDAC (HDAC8) and one class Ha HDAC (HDAC4) were determined using commercially available human recombinant HDAC enzymes (BPS Bioscience, San Diego, Calif.) and fluorogenic HDAC assay kits (BPS Bioscience). Kinetic parameters were determined by performing HDAC activity assays at varied concentrations of the HDAC substrate according to the manufacturer's protocol. Assay data were analyzed via non-linear regression (GraphPad Software, Inc., CA). Inhibition assays were used to determine the half maximal inhibitory concentration, IC50, for tropolone analogs in HDAC8 and HDAC6. The potent hydroxamic acid HDAC inhibitor, Trichostatin A (TSA), provided in the assay kit, served as a control for the assays. IC50 values for the tropolone analogs were converted to inhibition constants, Ki, for each of the inhibitors using the KM value in accordance with the techniques previously described by Cheng and Prusoff.
36
Total Activities
12
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
Substituted tropolone derivatives and methods of use
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 12 | 8.68 | 10.40 |
| kon | 12 | - | - |
| k_off | 12 | - | - |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL2408241 | — | — | 3 | 10.40 |
| CHEMBL2408239 | — | — | 3 | 9.85 |
| CHEMBL2408237 | — | — | 3 | 9.77 |
| CHEMBL2408240 | — | — | 3 | 9.36 |
| CHEMBL5802986 | — | — | 3 | 8.87 |
| CHEMBL2408244 | — | — | 3 | 8.85 |
| CHEMBL2408245 | — | — | 3 | 8.57 |
| CHEMBL2408238 | — | — | 3 | 8.12 |
| CHEMBL2408246 | — | — | 3 | 8.00 |
| CHEMBL2408242 | — | — | 3 | 7.71 |
| CHEMBL2408247 | — | — | 3 | 7.63 |
| CHEMBL48310 | HINOKITIOL | — | 3 | 6.98 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL2408241 | — | Ki | = | 0.04 | nM | 10.40 |
| CHEMBL2408239 | — | Ki | = | 0.14 | nM | 9.85 |
| CHEMBL2408237 | — | Ki | = | 0.17 | nM | 9.77 |
| CHEMBL2408240 | — | Ki | = | 0.44 | nM | 9.36 |
| CHEMBL5802986 | — | Ki | = | 1.36 | nM | 8.87 |
| CHEMBL2408244 | — | Ki | = | 1.42 | nM | 8.85 |
| CHEMBL2408245 | — | Ki | = | 2.69 | nM | 8.57 |
| CHEMBL2408238 | — | Ki | = | 7.63 | nM | 8.12 |
| CHEMBL2408246 | — | Ki | = | 10.1 | nM | 8.00 |
| CHEMBL2408242 | — | Ki | = | 19.4 | nM | 7.71 |
| CHEMBL2408247 | — | Ki | = | 23.3 | nM | 7.63 |
| CHEMBL48310 | HINOKITIOL | Ki | = | 105.0 | nM | 6.98 |
| CHEMBL2408242 | — | k_off | = | - | s-1 | - |
| CHEMBL2408242 | — | kon | = | - | — | - |
| CHEMBL2408241 | — | k_off | = | - | s-1 | - |
| CHEMBL2408241 | — | kon | = | - | — | - |
| CHEMBL2408240 | — | k_off | = | - | s-1 | - |
| CHEMBL2408240 | — | kon | = | - | — | - |
| CHEMBL2408239 | — | k_off | = | - | s-1 | - |
| CHEMBL2408239 | — | kon | = | - | — | - |
| CHEMBL2408238 | — | k_off | = | - | s-1 | - |
| CHEMBL2408238 | — | kon | = | - | — | - |
| CHEMBL2408237 | — | k_off | = | - | s-1 | - |
| CHEMBL2408237 | — | kon | = | - | — | - |
| CHEMBL5802986 | — | kon | = | - | — | - |
| CHEMBL5802986 | — | k_off | = | - | s-1 | - |
| CHEMBL2408247 | — | k_off | = | - | s-1 | - |
| CHEMBL2408244 | — | kon | = | - | — | - |
| CHEMBL2408244 | — | k_off | = | - | s-1 | - |
| CHEMBL2408247 | — | kon | = | - | — | - |
| CHEMBL48310 | HINOKITIOL | kon | = | - | — | - |
| CHEMBL48310 | HINOKITIOL | k_off | = | - | s-1 | - |
| CHEMBL2408245 | — | kon | = | - | — | - |
| CHEMBL2408245 | — | k_off | = | - | s-1 | - |
| CHEMBL2408246 | — | kon | = | - | — | - |
| CHEMBL2408246 | — | k_off | = | - | s-1 | - |