BDBM102936 US8541427, 7 racemic

SMILES CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1nc(C)c(Cl)c(n1)C1CC1)c1ccccc1

InChI Key InChIKey=ROYCEFARUPDTED-UHFFFAOYSA-N

Data  1 KI  1 IC50

  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 1 hit for monomerid = 102936   

TargetBeta-secretase 1(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM102936(US8541427, 7 racemic)
Affinity DataKi:  94nM ΔG°:  -9.74kcal/mole IC50: 664nMT: 2°CAssay Description:A homogeneous time-resolved FRET assay was used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. The assay monit...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/26/2013
Entry Details
Go to US Patent