BDBM102953 US8541427, 24 racemic

SMILES CCOc1nc(nc(OC)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccccc1

InChI Key InChIKey=JYMQUHNXWJFFIJ-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 102953   

TargetBeta-secretase 1(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM102953(US8541427, 24 racemic)
Affinity DataKi:  137nM ΔG°:  -9.51kcal/moleT: 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