BDBM50300178 CHEMBL583697::N-[(1S,2S,4R)-5-cyclopropylmethoxy-1-(3,5-difluoro-phenoxymethyl)-2-hydroxy-4-methoxy-pentyl]-5-(methanesulfonylmethyl-amino)-N'-(1R-phenyl-ethyl)-isophthalamide

SMILES CO[C@@H](COCC1CC1)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O

InChI Key InChIKey=YEGCOOWNYOLWNB-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50300178   

TargetBeta-secretase 1(Human)
Stockholm University

Curated by ChEMBL
LigandPNGBDBM50300178(N-[(1S,2S,4R)-5-cyclopropylmethoxy-1-(3,5-difluoro...)
Affinity DataIC50: 1.86E+3nMAssay Description:Inhibition of human brain BACE1 expressed in Escherichia coli BL21(DE) by TRF assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/29/2010
Entry Details Article
PubMed