BDBM102972 US8541427, 43

SMILES COc1nc(nc(CO)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccc(F)cc1F

InChI Key InChIKey=XRSXOJBUXUSELV-UHFFFAOYSA-N

Data  1 KI  1 IC50

  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 1 hit for monomerid = 102972   

TargetBeta-secretase 1(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM102972(US8541427, 43)
Affinity DataKi:  16nM ΔG°:  -10.8kcal/mole IC50: 21nMT: 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