BDBM372928 6-((Z)-2-(3-((1S,5S,6S)-3-amino-1-((R)-3-hydroxypyrrolidine-1-carbonyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 333

SMILES C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CC[C@@H](O)C1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F

InChI Key InChIKey=IBWXJAVCODUFQB-GVZVELPGSA-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 = 372928   

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

US Patent
LigandPNGBDBM372928(6-((Z)-2-(3-((1S,5S,6S)-3-amino-1-((R)-3-hydroxypy...)
Affinity DataIC50:  0.800nMAssay 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
LigandPNGBDBM372928(6-((Z)-2-(3-((1S,5S,6S)-3-amino-1-((R)-3-hydroxypy...)
Affinity DataIC50:  4.34E+5nMAssay 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
LigandPNGBDBM372928(6-((Z)-2-(3-((1S,5S,6S)-3-amino-1-((R)-3-hydroxypy...)
Affinity DataIC50:  53nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent