Assay Detail
Binding
CHEMBL3705877
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Inhibition Assay: A similar assay procedure as described in Test 2 was used for HDAC6. Human recombinant full length HDAC6 expressed in a baculovirus expression system was purchased from BPS BioSciences (San Diego, Calif., U.S.A.). The substrate used in the HDAC1 assay was 5 uM of acetyl-Gly-Ala-Lys(acetyl)-AMC. TEST 2: Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-to-Bac system (Invitrogen). Test compounds were serially diluted to reach final test concentrations from 0.000128 uM to 10 uM. HDAC4 and test compounds were incubated in 25 mM Tris buffer pH 8.0 containing 137 mM NaCl, 2.7 mM KCl, 1 mM MgCl2, 0.05% (w/v) bovine serum albumine and 0.005% (v/v) Triton-X-100 for 2 hours at room temperature in presence of 5 uM of acetyl-Gly-Ala-Lys(E-trifluoroacetyl)-AMC (AMC=7-amino-4-methyl coumarin) in a final volume of 9 ul. Control wells with HDAC4 only (positive control).
151
Total Activities
148
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Homo sapiens |
| Cell Type | Sf9 |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Publication
Trifluoromethyl-oxadiazole derivatives and their use in the treatment of disease
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 151 | 5.41 | 6.40 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL3692630 | — | — | 1 | 6.40 |
| CHEMBL3692643 | — | — | 1 | 6.36 |
| CHEMBL3692641 | — | — | 1 | 6.34 |
| CHEMBL3692639 | — | — | 1 | 6.33 |
| CHEMBL3692645 | — | — | 1 | 6.24 |
| CHEMBL3692637 | — | — | 1 | 6.16 |
| CHEMBL3692642 | — | — | 1 | 6.13 |
| CHEMBL3692638 | — | — | 1 | 6.11 |
| CHEMBL3639915 | — | — | 1 | 5.85 |
| CHEMBL3692651 | — | — | 1 | 5.82 |
| CHEMBL3692691 | — | — | 1 | 5.75 |
| CHEMBL3692644 | — | — | 1 | 5.70 |
| CHEMBL3692583 | — | — | 1 | 5.68 |
| CHEMBL3692596 | — | — | 1 | 5.66 |
| CHEMBL3692689 | — | — | 1 | 5.64 |
| CHEMBL3692598 | — | — | 1 | 5.64 |
| CHEMBL3692656 | — | — | 1 | 5.62 |
| CHEMBL3692679 | — | — | 1 | 5.62 |
| CHEMBL3692685 | — | — | 1 | 5.62 |
| CHEMBL3692624 | — | — | 1 | 5.60 |
| CHEMBL3692684 | — | — | 1 | 5.58 |
| CHEMBL3692688 | — | — | 1 | 5.58 |
| CHEMBL3692663 | — | — | 1 | 5.52 |
| CHEMBL3692671 | — | — | 1 | 5.52 |
| CHEMBL3692686 | — | — | 1 | 5.52 |
| CHEMBL3688144 | — | — | 1 | 5.51 |
| CHEMBL3692650 | — | — | 1 | 5.51 |
| CHEMBL3692683 | — | — | 1 | 5.51 |
| CHEMBL3688141 | — | — | 1 | 5.50 |
| CHEMBL3688145 | — | — | 1 | 5.50 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL3692630 | — | IC50 | = | 400.0 | nM | 6.40 |
| CHEMBL3692643 | — | IC50 | = | 440.0 | nM | 6.36 |
| CHEMBL3692641 | — | IC50 | = | 460.0 | nM | 6.34 |
| CHEMBL3692639 | — | IC50 | = | 470.0 | nM | 6.33 |
| CHEMBL3692645 | — | IC50 | = | 580.0 | nM | 6.24 |
| CHEMBL3692637 | — | IC50 | = | 700.0 | nM | 6.16 |
| CHEMBL3692642 | — | IC50 | = | 740.0 | nM | 6.13 |
| CHEMBL3692638 | — | IC50 | = | 770.0 | nM | 6.11 |
| CHEMBL3639915 | — | IC50 | = | 1400.0 | nM | 5.85 |
| CHEMBL3692651 | — | IC50 | = | 1500.0 | nM | 5.82 |
| CHEMBL3692691 | — | IC50 | = | 1800.0 | nM | 5.75 |
| CHEMBL3692644 | — | IC50 | = | 2000.0 | nM | 5.70 |
| CHEMBL3692583 | — | IC50 | = | 2100.0 | nM | 5.68 |
| CHEMBL3692596 | — | IC50 | = | 2200.0 | nM | 5.66 |
| CHEMBL3692689 | — | IC50 | = | 2300.0 | nM | 5.64 |
| CHEMBL3692598 | — | IC50 | = | 2300.0 | nM | 5.64 |
| CHEMBL3692685 | — | IC50 | = | 2400.0 | nM | 5.62 |
| CHEMBL3692679 | — | IC50 | = | 2400.0 | nM | 5.62 |
| CHEMBL3692656 | — | IC50 | = | 2400.0 | nM | 5.62 |
| CHEMBL3692624 | — | IC50 | = | 2500.0 | nM | 5.60 |
| CHEMBL3692688 | — | IC50 | = | 2600.0 | nM | 5.58 |
| CHEMBL3692684 | — | IC50 | = | 2600.0 | nM | 5.58 |
| CHEMBL3692686 | — | IC50 | = | 3000.0 | nM | 5.52 |
| CHEMBL3692671 | — | IC50 | = | 3000.0 | nM | 5.52 |
| CHEMBL3692663 | — | IC50 | = | 3000.0 | nM | 5.52 |
| CHEMBL3688144 | — | IC50 | = | 3100.0 | nM | 5.51 |
| CHEMBL3692650 | — | IC50 | = | 3100.0 | nM | 5.51 |
| CHEMBL3692683 | — | IC50 | = | 3100.0 | nM | 5.51 |
| CHEMBL3688141 | — | IC50 | = | 3200.0 | nM | 5.50 |
| CHEMBL3692681 | — | IC50 | = | 3200.0 | nM | 5.50 |
| CHEMBL3688145 | — | IC50 | = | 3200.0 | nM | 5.50 |
| CHEMBL3688164 | — | IC50 | = | 3200.0 | nM | 5.50 |
| CHEMBL3692582 | — | IC50 | = | 3300.0 | nM | 5.48 |
| CHEMBL3692676 | — | IC50 | = | 3300.0 | nM | 5.48 |
| CHEMBL3692690 | — | IC50 | = | 3400.0 | nM | 5.47 |
| CHEMBL3692678 | — | IC50 | = | 3700.0 | nM | 5.43 |
| CHEMBL3692660 | — | IC50 | = | 3900.0 | nM | 5.41 |
| CHEMBL3692575 | — | IC50 | = | 3900.0 | nM | 5.41 |
| CHEMBL3692612 | — | IC50 | = | 3900.0 | nM | 5.41 |
| CHEMBL3692626 | — | IC50 | = | 4000.0 | nM | 5.40 |
| CHEMBL3688151 | — | IC50 | = | 4100.0 | nM | 5.39 |
| CHEMBL3692631 | — | IC50 | = | 4400.0 | nM | 5.36 |
| CHEMBL3692655 | — | IC50 | = | 4400.0 | nM | 5.36 |
| CHEMBL3692662 | — | IC50 | = | 4500.0 | nM | 5.35 |
| CHEMBL3692576 | — | IC50 | = | 4600.0 | nM | 5.34 |
| CHEMBL3692601 | — | IC50 | = | 4600.0 | nM | 5.34 |
| CHEMBL3692622 | — | IC50 | = | 4700.0 | nM | 5.33 |
| CHEMBL3692652 | — | IC50 | = | 4700.0 | nM | 5.33 |
| CHEMBL3688160 | — | IC50 | = | 4800.0 | nM | 5.32 |
| CHEMBL3692584 | — | IC50 | = | 4800.0 | nM | 5.32 |