Reaction Details |
| Report a problem with these data |
Target | Beta-secretase 1 |
---|
Ligand | BDBM50188338 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_379150 (CHEMBL863610) |
---|
IC50 | 3.3±n/a nM |
---|
Citation | Hamada, Y; Igawa, N; Ikari, H; Ziora, Z; Nguyen, JT; Yamani, A; Hidaka, K; Kimura, T; Saito, K; Hayashi, Y; Ebina, M; Ishiura, S; Kiso, Y beta-Secretase inhibitors: modification at the P4 position and improvement of inhibitory activity in cultured cells. Bioorg Med Chem Lett16:4354-9 (2006) [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
|
|
|
BDBM50188338 |
---|
n/a |
---|
Name | BDBM50188338 |
Synonyms: | CHEMBL411711 | N-((2S,5S)-5-((S)-1-((1R,2S)-1-(3-(2H-Tetrazol-5-yl)phenylcarbamoyl)-1-hydroxy-3-phenylpropan-2-ylcarbamoyl)-3-cyclohexylpropylcarbamoyl)-2-amino-6-methyl-3-oxoheptyl)-2H-tetrazole-5-carboxamide | N-((S)-3-((S)-1-((S)-1-((2S,3R)-4-(3-(2H-tetrazol-5-yl)phenylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-ylamino)-3-cyclohexyl-1-oxopropan-2-ylamino)-3-methyl-1-oxobutan-2-ylamino)-2-amino-3-oxopropyl)-2H-tetrazole-5-carboxamide |
Type | Small organic molecule |
Emp. Form. | C36H48N14O6 |
Mol. Mass. | 772.8565 |
SMILES | CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)-c1nnn[nH]1 |
Structure |
|