Reaction Details |
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Target | Beta-secretase 1 |
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Ligand | BDBM50540172 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1980873 (CHEMBL4614135) |
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IC50 | 10.0±n/a nM |
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Citation | Winneroski, LL; Erickson, JA; Green, SJ; Lopez, JE; Stout, SL; Porter, WJ; Timm, DE; Audia, JE; Barberis, M; Beck, JP; Boggs, LN; Borders, AR; Boyer, RD; Brier, RA; Hembre, EJ; Hendle, J; Garcia-Losada, P; Minguez, JM; Mathes, BM; May, PC; Monk, SA; Rankovic, Z; Shi, Y; Watson, BM; Yang, Z; Mergott, DJ Preparation and biological evaluation of BACE1 inhibitors: Leveraging trans-cyclopropyl moieties as ligand efficient conformational constraints. Bioorg Med Chem28:0 (2020) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Beta-secretase 1 |
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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
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BDBM50540172 |
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n/a |
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Name | BDBM50540172 |
Synonyms: | CHEMBL4637426 |
Type | Small organic molecule |
Emp. Form. | C21H31N5OS |
Mol. Mass. | 401.569 |
SMILES | [H][C@]1(C[C@H]1C(C)(C)OC[C@@H]1C[C@H]1C)[C@]12CN(C[C@@]1([H])CSC(N)=N2)c1ncccn1 |r,c:25| |
Structure |
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