BDBM182825 US9145426, 1

SMILES COc1nc(nc(C)c1F)N1C[C@@H]2[C@](C1)(NC(=N)N(C)S2(=O)=O)c1ccccc1

InChI Key InChIKey=RAJFOQGJKWKNCJ-UHFFFAOYSA-N

Data  2 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 182825   

TargetBeta-secretase 2(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM182825(US9145426, 1)
Affinity DataKi:  16nM ΔG°:  -10.8kcal/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
LigandPNGBDBM182825(US9145426, 1)
Affinity DataKi:  51nM ΔG°:  -10.1kcal/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