BDBM365596 US9868738, Example 32

SMILES C[C@]1(Cc2nc(ncc2C(=N)N1)C1CC1)c1cc(cs1)-c1cccc(c1)C#N

InChI Key InChIKey=LMBVCDFFMJGDCH-QFIPXVFZSA-N

Data  2 KI

  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 2 hits for monomerid = 365596   

TargetBeta-secretase 2(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM365596(US9868738, Example 32)
Affinity DataKi:  65.6nMAssay Description:Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetBeta-secretase 1(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM365596(US9868738, Example 32)
Affinity DataKi:  128nMAssay Description: Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent