BDBM372898 ((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)((R)-3-methylmorpholino)methanone::US10246429, Example 304

SMILES C[C@@H]1COCCN1C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F

InChI Key InChIKey=JSGSQFIXRWAYDP-CSBZHDBQSA-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 = 372898   

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

US Patent
LigandPNGBDBM372898(((1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoro-2-...)
Affinity DataIC50:  0.600nMAssay 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
LigandPNGBDBM372898(((1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoro-2-...)
Affinity DataIC50:  4.82E+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
LigandPNGBDBM372898(((1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoro-2-...)
Affinity DataIC50:  290nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent