Assay Detail
Binding
CHEMBL5730261
Review assay metadata, readout intent, target linkage, and publication context from the same page.
HTRF FRET Assay: Inhibitor compounds, prepared at 3× the desired final concentration in 1×BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0.1% Brij-35) supplemented with 7.5% DMSO are pre-incubated with an equal volume of autoBACE-2 enzyme diluted in 1×BACE assay buffer (final enzyme concentration 1 nM) in black 384-well NUNC plates for 30 minutes at 30° C. The assay is initiated by addition of an equal volume of the QSY7-EISEVNLDAEFC-Eu-amide substrate (200 nM final concentration, Km=8 μM for 4 μM for autoBACE-2) prepared in 1×BACE assay buffer supplemented with 7.5% DMSO and incubated for 90 minutes at 30° C. DMSO is present at 5% final concentration in the assay. Following laser excitation of sample wells at 320 nm, the fluorescence signal at 620 nm is collected for 400 ms following a 50 μs delay on a RUBYstar HTRF plate reader (BMG Labtechnologies).
363
Total Activities
120
Compounds Tested
3
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Confidence | 8 — Homologous single protein target |
| Curated By | Autocuration |
Publication
Tricyclic substituted thiadiazine dioxide compounds as BACE inhibitors, compositions and their use
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 121 | 7.43 | 9.62 |
| kon | 121 | - | - |
| k_off | 121 | - | - |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL3952769 | — | — | 3 | 9.62 |
| CHEMBL3942915 | — | — | 3 | 9.55 |
| CHEMBL3962846 | — | — | 3 | 9.51 |
| CHEMBL3908329 | — | — | 3 | 9.47 |
| CHEMBL3933178 | — | — | 3 | 9.46 |
| CHEMBL3892420 | — | — | 3 | 9.46 |
| CHEMBL3939857 | — | — | 3 | 9.39 |
| CHEMBL3910228 | — | — | 3 | 9.20 |
| CHEMBL3949563 | — | — | 3 | 9.14 |
| CHEMBL3905209 | — | — | 3 | 9.00 |
| CHEMBL3961454 | — | — | 3 | 8.96 |
| CHEMBL3935772 | — | — | 3 | 8.96 |
| CHEMBL3913634 | — | — | 3 | 8.89 |
| CHEMBL3891425 | — | — | 3 | 8.85 |
| CHEMBL3921452 | — | — | 3 | 8.80 |
| CHEMBL3944761 | — | — | 3 | 8.80 |
| CHEMBL3973797 | — | — | 3 | 8.70 |
| CHEMBL3929836 | — | — | 3 | 8.66 |
| CHEMBL3920318 | — | — | 3 | 8.64 |
| CHEMBL3978736 | — | — | 3 | 8.62 |
| CHEMBL3944720 | — | — | 3 | 8.60 |
| CHEMBL3925066 | — | — | 3 | 8.52 |
| CHEMBL3892917 | — | — | 3 | 8.46 |
| CHEMBL3947414 | — | — | 3 | 8.44 |
| CHEMBL3949670 | — | — | 3 | 8.43 |
| CHEMBL3917414 | — | — | 3 | 8.42 |
| CHEMBL3903571 | — | — | 3 | 8.41 |
| CHEMBL3901897 | — | — | 3 | 8.38 |
| CHEMBL3914118 | — | — | 3 | 8.38 |
| CHEMBL3904651 | — | — | 3 | 8.38 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL3952769 | — | Ki | = | 0.24 | nM | 9.62 |
| CHEMBL3942915 | — | Ki | = | 0.28 | nM | 9.55 |
| CHEMBL3962846 | — | Ki | = | 0.31 | nM | 9.51 |
| CHEMBL3908329 | — | Ki | = | 0.34 | nM | 9.47 |
| CHEMBL3933178 | — | Ki | = | 0.35 | nM | 9.46 |
| CHEMBL3892420 | — | Ki | = | 0.35 | nM | 9.46 |
| CHEMBL3939857 | — | Ki | = | 0.41 | nM | 9.39 |
| CHEMBL3910228 | — | Ki | = | 0.63 | nM | 9.20 |
| CHEMBL3949563 | — | Ki | = | 0.73 | nM | 9.14 |
| CHEMBL3905209 | — | Ki | = | 1.0 | nM | 9.00 |
| CHEMBL3935772 | — | Ki | = | 1.1 | nM | 8.96 |
| CHEMBL3961454 | — | Ki | = | 1.1 | nM | 8.96 |
| CHEMBL3913634 | — | Ki | = | 1.3 | nM | 8.89 |
| CHEMBL3891425 | — | Ki | = | 1.4 | nM | 8.85 |
| CHEMBL3944761 | — | Ki | = | 1.6 | nM | 8.80 |
| CHEMBL3921452 | — | Ki | = | 1.6 | nM | 8.80 |
| CHEMBL3973797 | — | Ki | = | 2.0 | nM | 8.70 |
| CHEMBL3929836 | — | Ki | = | 2.2 | nM | 8.66 |
| CHEMBL3920318 | — | Ki | = | 2.3 | nM | 8.64 |
| CHEMBL3978736 | — | Ki | = | 2.4 | nM | 8.62 |
| CHEMBL3944720 | — | Ki | = | 2.5 | nM | 8.60 |
| CHEMBL3925066 | — | Ki | = | 3.0 | nM | 8.52 |
| CHEMBL3892917 | — | Ki | = | 3.5 | nM | 8.46 |
| CHEMBL3947414 | — | Ki | = | 3.6 | nM | 8.44 |
| CHEMBL3949670 | — | Ki | = | 3.7 | nM | 8.43 |
| CHEMBL3917414 | — | Ki | = | 3.8 | nM | 8.42 |
| CHEMBL3903571 | — | Ki | = | 3.9 | nM | 8.41 |
| CHEMBL3904651 | — | Ki | = | 4.2 | nM | 8.38 |
| CHEMBL3914118 | — | Ki | = | 4.2 | nM | 8.38 |
| CHEMBL3901897 | — | Ki | = | 4.2 | nM | 8.38 |
| CHEMBL3921432 | — | Ki | = | 4.6 | nM | 8.34 |
| CHEMBL3893436 | — | Ki | = | 4.7 | nM | 8.33 |
| CHEMBL3913054 | — | Ki | = | 4.8 | nM | 8.32 |
| CHEMBL3900560 | — | Ki | = | 4.8 | nM | 8.32 |
| CHEMBL3959554 | — | Ki | = | 5.7 | nM | 8.24 |
| CHEMBL3985789 | — | Ki | = | 6.0 | nM | 8.22 |
| CHEMBL3937537 | — | Ki | = | 6.5 | nM | 8.19 |
| CHEMBL3946080 | — | Ki | = | 6.7 | nM | 8.17 |
| CHEMBL3923100 | — | Ki | = | 8.9 | nM | 8.05 |
| CHEMBL3924686 | — | Ki | = | 8.9 | nM | 8.05 |
| CHEMBL3968289 | — | Ki | = | 9.5 | nM | 8.02 |
| CHEMBL3944146 | — | Ki | = | 9.9 | nM | 8.00 |
| CHEMBL3928041 | — | Ki | = | 10.0 | nM | 8.00 |
| CHEMBL3891075 | — | Ki | = | 11.0 | nM | 7.96 |
| CHEMBL3898798 | — | Ki | = | 12.0 | nM | 7.92 |
| CHEMBL3918648 | — | Ki | = | 13.8 | nM | 7.86 |
| CHEMBL3891551 | — | Ki | = | 16.0 | nM | 7.80 |
| CHEMBL3895439 | — | Ki | = | 16.0 | nM | 7.80 |
| CHEMBL3893399 | — | Ki | = | 17.0 | nM | 7.77 |
| CHEMBL3937535 | — | Ki | = | 18.0 | nM | 7.75 |