BDBM50305531 CHEMBL595136::Propane-1-sulfonic acid((S)-4-{(R)-1-hydroxy-2-[1-(3-isopropyl-phenyl)-cyclopropylamino]-ethyl}-2-oxo-11-oxa-3,16-diaza-tricyclo[15.3.1.1*6,10*]docosa-1(21),6(22),7,9,17,19-hexaen-19-yl)-methyl-amide

SMILES CCCS(=O)(=O)N(C)c1cc2NCCCCOc3cccc(C[C@H](NC(=O)c(c2)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C(C)C)c3

InChI Key InChIKey=YTELHZGITUPWIN-OIDHKYIRSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50305531   

TargetBeta-secretase 1(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50305531(CHEMBL595136 | Propane-1-sulfonic acid((S)-4-{(R)-...)
Affinity DataIC50:  2nMAssay Description:Inhibition of human recombinant BACE1 expressed in Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed