BDBM182836 US9145426, 12

SMILES COCc1cc(OC)nc(c1)N1CC2C(C1)(NC(=N)N(C)S2(=O)=O)c1ccccc1

InChI Key InChIKey=LELOSQBFNBDVQT-UHFFFAOYSA-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 = 182836   

TargetBeta-secretase 2(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM182836(US9145426, 12)
Affinity DataKi:  6.40nM ΔG°:  -11.4kcal/molepH: 5.0 T: 2°CAssay Description:Inhibitor IC50s at purified human autoBACE-2 were determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2016
Entry Details
Go to US Patent

TargetBeta-secretase 1(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM182836(US9145426, 12)
Affinity DataKi:  27nM ΔG°:  -10.5kcal/molepH: 5.0 T: 2°CAssay Description:A homogeneous time-resolved FRET assay was used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay monit...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2016
Entry Details
Go to US Patent