Assay Detail
Binding
CHEMBL5730853
Review assay metadata, readout intent, target linkage, and publication context from the same page.
In Vitro Enzymatic: Recombinant Cat D was expressed in CHO cells. The assay buffer for CathepsinD is 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The Cat D enzyme (9 nM) is pre-incubated for one hour with inhibitors, typically in about 1 uL of DMSO according to a serial dilution, is added thereto. The assays are effectively started by the addition of different FRET substrates (20 nM for Cat D) and the combination is incubated for one hour. The FRET assay is terminated with by addition of Tris buffer, which raises the pH to neutrality, and the fluorescence is determined. The FRET substrate is a peptide with commercially available fluorophore and quencher, on opposite sides of the BACE cleavage site. The Cat D substrate peptide sequence is based on sequence #1 of Table 1 from Gulnik et al. FEBS Letters v413 p 379-384 1997. Proteolytic cleavage of the FRET substrate releases quenching of fluorescence (Cat D excitation 500 nm and emission 580 nm).Alternatively, a Cat D assay may also be run according to the procedure described in the article, Characterization of new fluorgenic substrates for the rapid and sensitive assay of cathepsin E and cathepsin D, J. Biochem., 125:1137, 1999.
507
Total Activities
168
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
Amino-dihydrothiazine and amino-dioxido dihydrothiazine compounds as beta-secretase antagonists and methods of use
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 169 | 4.30 | 4.95 |
| kon | 169 | - | - |
| k_off | 169 | - | - |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL5884268 | — | — | 6 | 4.95 |
| CHEMBL5957962 | — | — | 3 | 4.93 |
| CHEMBL5928101 | — | — | 3 | 4.91 |
| CHEMBL5955920 | — | — | 3 | 4.75 |
| CHEMBL5974242 | — | — | 3 | 4.57 |
| CHEMBL5907237 | — | — | 3 | 4.56 |
| CHEMBL5779259 | — | — | 3 | 4.55 |
| CHEMBL6007390 | — | — | 3 | 4.55 |
| CHEMBL6015975 | — | — | 3 | 4.52 |
| CHEMBL5973772 | — | — | 3 | 4.52 |
| CHEMBL5752681 | — | — | 3 | 4.51 |
| CHEMBL5852892 | — | — | 3 | 4.51 |
| CHEMBL5977725 | — | — | 3 | 4.51 |
| CHEMBL5809643 | — | — | 3 | 4.49 |
| CHEMBL5772436 | — | — | 3 | 4.49 |
| CHEMBL5806875 | — | — | 3 | 4.47 |
| CHEMBL5829069 | — | — | 3 | 4.44 |
| CHEMBL5892583 | — | — | 3 | 4.43 |
| CHEMBL5934199 | — | — | 3 | 4.41 |
| CHEMBL5979230 | — | — | 3 | 4.37 |
| CHEMBL5921886 | — | — | 3 | 4.36 |
| CHEMBL5766671 | — | — | 3 | 4.36 |
| CHEMBL5790971 | — | — | 3 | 4.34 |
| CHEMBL5980834 | — | — | 3 | 4.34 |
| CHEMBL5757250 | — | — | 3 | 4.34 |
| CHEMBL6055288 | — | — | 3 | 4.34 |
| CHEMBL6007960 | — | — | 3 | 4.33 |
| CHEMBL5924733 | — | — | 3 | 4.32 |
| CHEMBL6057481 | — | — | 3 | 4.30 |
| CHEMBL5869468 | — | — | 3 | 4.29 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL5884268 | — | IC50 | = | 11300.0 | nM | 4.95 |
| CHEMBL5957962 | — | IC50 | = | 11800.0 | nM | 4.93 |
| CHEMBL5928101 | — | IC50 | = | 12200.0 | nM | 4.91 |
| CHEMBL5955920 | — | IC50 | = | 17700.0 | nM | 4.75 |
| CHEMBL5974242 | — | IC50 | = | 27100.0 | nM | 4.57 |
| CHEMBL5907237 | — | IC50 | = | 27300.0 | nM | 4.56 |
| CHEMBL5779259 | — | IC50 | = | 28300.0 | nM | 4.55 |
| CHEMBL6007390 | — | IC50 | = | 28000.0 | nM | 4.55 |
| CHEMBL5973772 | — | IC50 | = | 30200.0 | nM | 4.52 |
| CHEMBL6015975 | — | IC50 | = | 30000.0 | nM | 4.52 |
| CHEMBL5852892 | — | IC50 | = | 31200.0 | nM | 4.51 |
| CHEMBL5977725 | — | IC50 | = | 31100.0 | nM | 4.51 |
| CHEMBL5752681 | — | IC50 | = | 31100.0 | nM | 4.51 |
| CHEMBL5809643 | — | IC50 | = | 32400.0 | nM | 4.49 |
| CHEMBL5772436 | — | IC50 | = | 32100.0 | nM | 4.49 |
| CHEMBL5806875 | — | IC50 | = | 33700.0 | nM | 4.47 |
| CHEMBL5829069 | — | IC50 | = | 36000.0 | nM | 4.44 |
| CHEMBL5892583 | — | IC50 | = | 37300.0 | nM | 4.43 |
| CHEMBL5934199 | — | IC50 | = | 38800.0 | nM | 4.41 |
| CHEMBL5979230 | — | IC50 | = | 42800.0 | nM | 4.37 |
| CHEMBL5766671 | — | IC50 | = | 43300.0 | nM | 4.36 |
| CHEMBL5921886 | — | IC50 | = | 43500.0 | nM | 4.36 |
| CHEMBL5980834 | — | IC50 | = | 45200.0 | nM | 4.34 |
| CHEMBL5757250 | — | IC50 | = | 45600.0 | nM | 4.34 |
| CHEMBL6055288 | — | IC50 | = | 45400.0 | nM | 4.34 |
| CHEMBL5790971 | — | IC50 | = | 45600.0 | nM | 4.34 |
| CHEMBL6007960 | — | IC50 | = | 46800.0 | nM | 4.33 |
| CHEMBL5924733 | — | IC50 | = | 47600.0 | nM | 4.32 |
| CHEMBL6057481 | — | IC50 | = | 49800.0 | nM | 4.30 |
| CHEMBL5947377 | — | IC50 | = | 51200.0 | nM | 4.29 |
| CHEMBL5869468 | — | IC50 | = | 50900.0 | nM | 4.29 |
| CHEMBL5967490 | — | IC50 | = | 56100.0 | nM | 4.25 |
| CHEMBL5830553 | — | IC50 | = | 55600.0 | nM | 4.25 |
| CHEMBL5947936 | — | IC50 | = | 56300.0 | nM | 4.25 |
| CHEMBL6025388 | — | IC50 | = | 58700.0 | nM | 4.23 |
| CHEMBL6053886 | — | IC50 | = | 61800.0 | nM | 4.21 |
| CHEMBL6039134 | — | IC50 | = | 63600.0 | nM | 4.20 |
| CHEMBL5805437 | — | IC50 | = | 65000.0 | nM | 4.19 |
| CHEMBL5773698 | — | IC50 | = | 63900.0 | nM | 4.19 |
| CHEMBL5927021 | — | IC50 | = | 65500.0 | nM | 4.18 |
| CHEMBL5775687 | — | IC50 | = | 65700.0 | nM | 4.18 |
| CHEMBL5746081 | — | IC50 | = | 66700.0 | nM | 4.18 |
| CHEMBL5959201 | — | IC50 | = | 66800.0 | nM | 4.17 |
| CHEMBL5762275 | — | IC50 | = | 67400.0 | nM | 4.17 |
| CHEMBL5752921 | — | IC50 | = | 67500.0 | nM | 4.17 |
| CHEMBL5919860 | — | IC50 | = | 69800.0 | nM | 4.16 |
| CHEMBL5951673 | — | IC50 | = | 72800.0 | nM | 4.14 |
| CHEMBL6005217 | — | IC50 | = | 73500.0 | nM | 4.13 |
| CHEMBL5840847 | — | IC50 | = | 73300.0 | nM | 4.13 |
| CHEMBL6004810 | — | IC50 | = | 76500.0 | nM | 4.12 |