Assay Detail
Binding
CHEMBL5735262
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Inhibition Assay: Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated with the test compound at various concentrations for 1 hour at room temperature in 10 to 100 mM acetate buffer, pH 4.5, containing 0.1% CHAPS. Synthetic fluorescence-quenched peptide substrate, derived from the sequence of APP and containing a suitable fluorophore-quencher pair, is added to a final concentration of 1 to 5 μM, and the increase in fluorescence is recorded at a suitable excitation/emission wavelength in a microplate spectro-fluorimeter for 5 to 30 minutes in 1-minute intervals. IC50 values are calculated from percentage of inhibition of BACE-1 activity as a function of the test compound concentration.
144
Total Activities
45
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
Heterocyclic derivatives and their use in the treatment of neurological disorders
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 48 | 6.78 | 8.40 |
| kon | 48 | - | - |
| k_off | 48 | - | - |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL3261069 | — | — | 3 | 8.40 |
| CHEMBL3670353 | — | — | 3 | 8.30 |
| CHEMBL3670365 | — | — | 9 | 8.22 |
| CHEMBL3670375 | — | — | 3 | 8.15 |
| CHEMBL3670372 | — | — | 3 | 8.15 |
| CHEMBL5879510 | — | — | 3 | 8.00 |
| CHEMBL3670362 | — | — | 3 | 8.00 |
| CHEMBL3670368 | — | — | 3 | 7.96 |
| CHEMBL3670363 | — | — | 3 | 7.89 |
| CHEMBL3670370 | — | — | 3 | 7.60 |
| CHEMBL5995000 | — | — | 3 | 7.58 |
| CHEMBL5826565 | — | — | 3 | 7.51 |
| CHEMBL3670379 | — | — | 3 | 7.48 |
| CHEMBL3670355 | — | — | 6 | 7.41 |
| CHEMBL3670385 | — | — | 3 | 7.40 |
| CHEMBL3670381 | — | — | 3 | 7.38 |
| CHEMBL3670361 | — | — | 3 | 7.37 |
| CHEMBL3670373 | — | — | 3 | 7.35 |
| CHEMBL3261068 | — | — | 3 | 7.09 |
| CHEMBL3670366 | — | — | 3 | 7.03 |
| CHEMBL3670360 | — | — | 3 | 6.85 |
| CHEMBL3670383 | — | — | 3 | 6.70 |
| CHEMBL3670382 | — | — | 3 | 6.64 |
| CHEMBL6032553 | — | — | 3 | 6.57 |
| CHEMBL3670378 | — | — | 3 | 6.42 |
| CHEMBL3670347 | — | — | 3 | 6.41 |
| CHEMBL5925547 | — | — | 3 | 6.40 |
| CHEMBL3670371 | — | — | 3 | 6.39 |
| CHEMBL3670356 | — | — | 3 | 6.31 |
| CHEMBL5803533 | — | — | 3 | 6.26 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL3261069 | — | IC50 | = | 4.0 | nM | 8.40 |
| CHEMBL3670353 | — | IC50 | = | 5.0 | nM | 8.30 |
| CHEMBL3670365 | — | IC50 | = | 6.0 | nM | 8.22 |
| CHEMBL3670372 | — | IC50 | = | 7.0 | nM | 8.15 |
| CHEMBL3670375 | — | IC50 | = | 7.0 | nM | 8.15 |
| CHEMBL5879510 | — | IC50 | = | 10.0 | nM | 8.00 |
| CHEMBL3670362 | — | IC50 | = | 10.0 | nM | 8.00 |
| CHEMBL3670368 | — | IC50 | = | 11.0 | nM | 7.96 |
| CHEMBL3670363 | — | IC50 | = | 13.0 | nM | 7.89 |
| CHEMBL3670370 | — | IC50 | = | 25.0 | nM | 7.60 |
| CHEMBL5995000 | — | IC50 | = | 26.0 | nM | 7.58 |
| CHEMBL5826565 | — | IC50 | = | 31.0 | nM | 7.51 |
| CHEMBL3670379 | — | IC50 | = | 33.0 | nM | 7.48 |
| CHEMBL3670355 | — | IC50 | = | 39.0 | nM | 7.41 |
| CHEMBL3670385 | — | IC50 | = | 40.0 | nM | 7.40 |
| CHEMBL3670381 | — | IC50 | = | 42.0 | nM | 7.38 |
| CHEMBL3670361 | — | IC50 | = | 43.0 | nM | 7.37 |
| CHEMBL3670373 | — | IC50 | = | 45.0 | nM | 7.35 |
| CHEMBL3261068 | — | IC50 | = | 82.0 | nM | 7.09 |
| CHEMBL3670366 | — | IC50 | = | 93.0 | nM | 7.03 |
| CHEMBL3670360 | — | IC50 | = | 140.0 | nM | 6.85 |
| CHEMBL3670365 | — | IC50 | = | 150.0 | nM | 6.82 |
| CHEMBL3670383 | — | IC50 | = | 200.0 | nM | 6.70 |
| CHEMBL3670382 | — | IC50 | = | 230.0 | nM | 6.64 |
| CHEMBL6032553 | — | IC50 | = | 270.0 | nM | 6.57 |
| CHEMBL3670378 | — | IC50 | = | 380.0 | nM | 6.42 |
| CHEMBL3670347 | — | IC50 | = | 390.0 | nM | 6.41 |
| CHEMBL5925547 | — | IC50 | = | 400.0 | nM | 6.40 |
| CHEMBL3670371 | — | IC50 | = | 410.0 | nM | 6.39 |
| CHEMBL3670356 | — | IC50 | = | 490.0 | nM | 6.31 |
| CHEMBL5803533 | — | IC50 | = | 550.0 | nM | 6.26 |
| CHEMBL3670348 | — | IC50 | = | 790.0 | nM | 6.10 |
| CHEMBL3670374 | — | IC50 | = | 820.0 | nM | 6.09 |
| CHEMBL3670365 | — | IC50 | = | 1100.0 | nM | 5.96 |
| CHEMBL5918896 | — | IC50 | = | 1200.0 | nM | 5.92 |
| CHEMBL3670384 | — | IC50 | = | 1200.0 | nM | 5.92 |
| CHEMBL3670380 | — | IC50 | = | 1500.0 | nM | 5.82 |
| CHEMBL3670350 | — | IC50 | = | 1600.0 | nM | 5.80 |
| CHEMBL3670352 | — | IC50 | = | 2100.0 | nM | 5.68 |
| CHEMBL3670349 | — | IC50 | = | 2600.0 | nM | 5.58 |
| CHEMBL5756387 | — | IC50 | = | 3700.0 | nM | 5.43 |
| CHEMBL3670355 | — | IC50 | = | 6200.0 | nM | 5.21 |
| CHEMBL5813321 | — | IC50 | = | 7300.0 | nM | 5.14 |
| CHEMBL3670359 | — | IC50 | = | 7600.0 | nM | 5.12 |
| CHEMBL3670357 | — | IC50 | = | 8100.0 | nM | 5.09 |
| CHEMBL5879510 | — | k_off | = | - | s-1 | - |
| CHEMBL3670372 | — | k_off | = | - | s-1 | - |
| CHEMBL3670373 | — | k_off | = | - | s-1 | - |
| CHEMBL5879510 | — | kon | = | - | — | - |
| CHEMBL3670374 | — | k_off | = | - | s-1 | - |