BDBM372872 ((1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-(prop-2-yn-1-yloxy)pyrazin-2-yl)vinyl)phenyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-1-yl)((1R,5R)-3,7-dioxa-9-azabicyclo[3.3.1]nonan-9-yl)methanone::US10246429, Example 279

SMILES C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1[C@H]2COC[C@@H]1COC2)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F

InChI Key InChIKey=NRIZDKUKBXCEHA-NVGNIVMCSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 372872   

TargetBeta-secretase 1(Homo sapiens (Human))
Amgen

US Patent
LigandPNGBDBM372872(((1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoro-2-...)
Affinity DataIC50:  1.20nMAssay Description:The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCathepsin D(Homo sapiens (Human))
Amgen

US Patent
LigandPNGBDBM372872(((1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoro-2-...)
Affinity DataIC50:  4.20E+4nMAssay Description:Recombinant Cat D was expressed in CHO cells. The assay buffer for CatD is 0.05M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) i...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetBeta-secretase 2(Homo sapiens (Human))
Amgen

US Patent
LigandPNGBDBM372872(((1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoro-2-...)
Affinity DataIC50:  176nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent