Search and Browse
Download
Enter Data
| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Beta-secretase 1 | ||
| Ligand | BDBM136829 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | Diluted TR-FRET Assay | ||
| pH | 9.2±n/a | ||
| IC50 | 2.9±n/a nM | ||
| Comments | extracted | ||
| Citation |  Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S Compounds and their use as BACE inhibitors US Patent US8865911 Publication Date 10/21/2014 | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Beta-secretase 1 | |||
| Name: | Beta-secretase 1 | ||
| Synonyms: | ASP2 | Asp 2 | Aspartyl protease 2 | BACE | BACE1 | BACE1_HUMAN | Beta-secretase (BACE) | Beta-secretase 1 | Beta-secretase 1 (BACE 1) | Beta-secretase 1 (BACE-1) | Beta-secretase 1 (BACE1) | Beta-site APP cleaving enzyme 1 | Beta-site amyloid precursor protein cleaving enzyme 1 | KIAA1149 | Memapsin-2 | Membrane-associated aspartic protease 2 | beta-Secretase (BACE-1) | beta-Secretase (BACE1) | ||
| Type: | Protein | ||
| Mol. Mass.: | 55755.10 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P56817 | ||
| Residue: | 501 | ||
| Sequence: |
| ||
| BDBM136829 | |||
| n/a | |||
| Name | BDBM136829 | ||
| Synonyms: | US10231967, Example 65 | US8865911, 65 | US8865911, 66 Isomer 1 | US9918985, Example 66 Isomer 2 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C24H27ClN4O | ||
| Mol. Mass. | 422.95 | ||
| SMILES | CCC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC)-c1cncc(Cl)c1 |r,wD:15.16,18.24,c:5,t:2,(-2.16,3.02,;-.62,3.02,;.15,1.69,;-.33,.23,;.92,-.68,;2.16,.23,;1.69,1.69,;2.46,3.02,;-.55,-1.16,;-1.88,-.39,;-3.21,-1.16,;-3.21,-2.7,;-1.88,-3.47,;-.55,-2.7,;.92,-3.17,;1.82,-1.93,;2.59,-.59,;4.13,-.59,;4.9,-1.93,;4.13,-3.26,;2.59,-3.26,;6.44,-1.93,;7.21,-3.26,;-4.55,-.39,;-5.88,-1.16,;-7.21,-.39,;-7.21,1.15,;-5.88,1.93,;-5.88,3.47,;-4.55,1.15,)| | ||
| Structure | 
| ||