BDBM50300177 CHEMBL583303::N-[1S-(3,5-difluoro-phenoxymethyl)-2S-hydroxy-4R-methoxy-5-(4-methoxy-benzyloxy)-pentyl]-2-[methyl-(2S-methyl-cyclopropyl-(S)-methyl)-amino]-6-[methyl-(propane-2-sulfonyl)-amino]-isonicotinamide

SMILES CO[C@@H](COCc1ccc(OC)cc1)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(nc(c1)N(C)S(C)(=O)=O)N(C)C[C@H]1C[C@@H]1C

InChI Key InChIKey=RXINPIWPWMGNDV-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 = 50300177   

TargetBeta-secretase 1(Human)
Stockholm University

Curated by ChEMBL
LigandPNGBDBM50300177(N-[1S-(3,5-difluoro-phenoxymethyl)-2S-hydroxy-4R-m...)
Affinity DataIC50: 1.80E+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