| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Beta-secretase 1 |
|---|
| Ligand | BDBM50317669 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_629241 (CHEMBL1121355) |
|---|
| IC50 | 7.9±n/a nM |
|---|
| Citation |  Tagad, HD; Hamada, Y; Nguyen, JT; Hamada, T; Abdel-Rahman, H; Yamani, A; Nagamine, A; Ikari, H; Igawa, N; Hidaka, K; Sohma, Y; Kimura, T; Kiso, Y Design of pentapeptidic BACE1 inhibitors with carboxylic acid bioisosteres at P1' and P4 positions. Bioorg Med Chem18:3175-86 (2010) [PubMed] Article |
|---|
| 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: | MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSF
VEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSST
YRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGIL
GLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGI
DHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKK
VFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRIT
ILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSAC
HVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQW
RCLRCLRQQHDDFADDISLLK
|
|
|
|---|
| BDBM50317669 |
|---|
| n/a |
|---|
| Name | BDBM50317669 |
|---|
| Synonyms: | CHEMBL1094659 | N-((2S,5S)-5-((S)-1-((1R,2S)-1-(3-(4,5-Dihydro-5-oxo-1,2,4-oxadiazol-3-yl)phenylcarbamoyl)-1-hydroxy-3-phenylpropan-2-ylcarbamoyl)-3-methylbutylcarbamoyl)-2-amino-6-methyl-3-oxoheptyl)-5-fluoro-1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxamide |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C37H45FN10O10 |
|---|
| Mol. Mass. | 808.8126 |
|---|
| SMILES | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)-c1nc(=O)o[nH]1 |r| |
|---|
| Structure | 
|
|---|
Search and Browse
