Assay Detail
Binding
CHEMBL3705805
Review assay metadata, readout intent, target linkage, and publication context from the same page.
TR-FRET Assay: The beta-secretase enzyme used in the TR-FRET is prepared as follows: The cDNA for the soluble part of the human beta-Secretase (AA 1-AA 460) was cloned using the ASP2-Fc10-1-IRES-GFP-neoK mammalian expression vector. The gene was fused to the Fc domain of IgG1 (affinity tag) and stably cloned into HEK 293 cells. Purified sBACE-Fc was stored in -80 C. in Tris buffer, pH 9.2 and had a purity of 40%.The enzyme (truncated form) was diluted to 6 ug/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 uM) in reaction buffer (NaAcetate, chaps, triton x-100, EDTA pH4.5). The robotic systems Biomek FX and Velocity 11 were used for all liquid handling and the enzyme and substrate solutions were kept on ice until they were placed in the robotic system. Enzyme (9 ul) was added to the plate then 1 ul of compound in dimethylsulphoxide was added, mixed and pre-incubated for 10 minutes. Substrate (10 ul) was then added, mixed.
109
Total Activities
97
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Homo sapiens |
| Cell Type | HEK293 |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Publication
Compounds and their use as BACE inhibitors
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 109 | 6.38 | 8.92 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL3989948 | LANABECESTAT | 3.0 | 2 | 8.92 |
| CHEMBL3653707 | — | — | 1 | 8.00 |
| CHEMBL3890867 | — | — | 1 | 7.70 |
| CHEMBL2152917 | — | — | 2 | 7.70 |
| CHEMBL3897786 | — | — | 1 | 7.70 |
| CHEMBL3961886 | — | — | 1 | 7.70 |
| CHEMBL3972463 | — | — | 1 | 7.68 |
| CHEMBL3657431 | — | — | 1 | 7.68 |
| CHEMBL3657430 | — | — | 1 | 7.68 |
| CHEMBL3963582 | — | — | 1 | 7.68 |
| CHEMBL3951608 | — | — | 2 | 7.68 |
| CHEMBL3987125 | — | — | 1 | 7.66 |
| CHEMBL3959097 | — | — | 1 | 7.66 |
| CHEMBL3657428 | — | — | 1 | 7.66 |
| CHEMBL3946842 | — | — | 1 | 7.66 |
| CHEMBL3905878 | — | — | 1 | 7.64 |
| CHEMBL4106794 | — | — | 1 | 7.64 |
| CHEMBL3653733 | — | — | 1 | 7.64 |
| CHEMBL3945110 | — | — | 1 | 7.62 |
| CHEMBL3657432 | — | — | 1 | 7.62 |
| CHEMBL3972810 | — | — | 1 | 7.60 |
| CHEMBL3945121 | — | — | 1 | 7.60 |
| CHEMBL3981574 | — | — | 1 | 7.58 |
| CHEMBL3952823 | — | — | 1 | 7.57 |
| CHEMBL3917387 | — | — | 1 | 7.55 |
| CHEMBL3653714 | — | — | 2 | 7.51 |
| CHEMBL3917003 | — | — | 1 | 7.47 |
| CHEMBL3657443 | — | — | 1 | 7.47 |
| CHEMBL3917335 | — | — | 1 | 7.43 |
| CHEMBL3926971 | — | — | 1 | 7.36 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL3989948 | LANABECESTAT | IC50 | = | 1.2 | nM | 8.92 |
| CHEMBL3653707 | — | IC50 | = | 10.0 | nM | 8.00 |
| CHEMBL3961886 | — | IC50 | = | 20.0 | nM | 7.70 |
| CHEMBL3897786 | — | IC50 | = | 19.8 | nM | 7.70 |
| CHEMBL2152917 | — | IC50 | = | 20.0 | nM | 7.70 |
| CHEMBL3890867 | — | IC50 | = | 20.0 | nM | 7.70 |
| CHEMBL3963582 | — | IC50 | = | 21.0 | nM | 7.68 |
| CHEMBL3657431 | — | IC50 | = | 21.0 | nM | 7.68 |
| CHEMBL3657430 | — | IC50 | = | 21.0 | nM | 7.68 |
| CHEMBL3951608 | — | IC50 | = | 21.0 | nM | 7.68 |
| CHEMBL3972463 | — | IC50 | = | 21.0 | nM | 7.68 |
| CHEMBL3959097 | — | IC50 | = | 22.0 | nM | 7.66 |
| CHEMBL3657428 | — | IC50 | = | 22.0 | nM | 7.66 |
| CHEMBL3946842 | — | IC50 | = | 22.0 | nM | 7.66 |
| CHEMBL3987125 | — | IC50 | = | 22.0 | nM | 7.66 |
| CHEMBL4106794 | — | IC50 | = | 23.0 | nM | 7.64 |
| CHEMBL3905878 | — | IC50 | = | 23.0 | nM | 7.64 |
| CHEMBL3653733 | — | IC50 | = | 23.0 | nM | 7.64 |
| CHEMBL3945110 | — | IC50 | = | 24.0 | nM | 7.62 |
| CHEMBL3657432 | — | IC50 | = | 24.0 | nM | 7.62 |
| CHEMBL3989948 | LANABECESTAT | IC50 | = | 25.0 | nM | 7.60 |
| CHEMBL3972810 | — | IC50 | = | 25.0 | nM | 7.60 |
| CHEMBL3945121 | — | IC50 | = | 25.0 | nM | 7.60 |
| CHEMBL3981574 | — | IC50 | = | 26.0 | nM | 7.58 |
| CHEMBL3952823 | — | IC50 | = | 27.0 | nM | 7.57 |
| CHEMBL3917387 | — | IC50 | = | 28.0 | nM | 7.55 |
| CHEMBL3653714 | — | IC50 | = | 31.0 | nM | 7.51 |
| CHEMBL3657443 | — | IC50 | = | 34.0 | nM | 7.47 |
| CHEMBL3917003 | — | IC50 | = | 34.0 | nM | 7.47 |
| CHEMBL3917335 | — | IC50 | = | 37.0 | nM | 7.43 |
| CHEMBL3926971 | — | IC50 | = | 44.0 | nM | 7.36 |
| CHEMBL3913558 | — | IC50 | = | 47.0 | nM | 7.33 |
| CHEMBL3919032 | — | IC50 | = | 51.0 | nM | 7.29 |
| CHEMBL3653693 | — | IC50 | = | 53.0 | nM | 7.28 |
| CHEMBL3653711 | — | IC50 | = | 62.0 | nM | 7.21 |
| CHEMBL3986744 | — | IC50 | = | 64.0 | nM | 7.19 |
| CHEMBL3933883 | — | IC50 | = | 66.0 | nM | 7.18 |
| CHEMBL3904970 | — | IC50 | = | 89.0 | nM | 7.05 |
| CHEMBL3653699 | — | IC50 | = | 91.0 | nM | 7.04 |
| CHEMBL3653690 | — | IC50 | = | 100.0 | nM | 7.00 |
| CHEMBL3653708 | — | IC50 | = | 100.0 | nM | 7.00 |
| CHEMBL3653662 | — | IC50 | = | 112.0 | nM | 6.95 |
| CHEMBL3653666 | — | IC50 | = | 112.0 | nM | 6.95 |
| CHEMBL3964909 | — | IC50 | = | 121.0 | nM | 6.92 |
| CHEMBL3653699 | — | IC50 | = | 124.0 | nM | 6.91 |
| CHEMBL3653691 | — | IC50 | = | 145.0 | nM | 6.84 |
| CHEMBL3653700 | — | IC50 | = | 147.0 | nM | 6.83 |
| CHEMBL3653657 | — | IC50 | = | 157.0 | nM | 6.80 |
| CHEMBL4112515 | — | IC50 | = | 163.0 | nM | 6.79 |
| CHEMBL3653700 | — | IC50 | = | 180.0 | nM | 6.75 |