BDBM291136 US9580396, Example 4c

SMILES COCC(=O)Nc1ccc2CCC[C@]3(CS(=O)(=O)N(C)C(=N)N3)c2c1

InChI Key InChIKey=PCLQUUAMYZFADT-INIZCTEOSA-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 = 291136   

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

US Patent
LigandPNGBDBM291136(US9580396, Example 4c)
Affinity DataKi:  260nMpH: 5.0Assay 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
LigandPNGBDBM291136(US9580396, Example 4c)
Affinity DataKi:  2.12E+3nMpH: 5.0Assay Description:A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent