BDBM242269 US9416129, 47

SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1cccc(c1)-c1ncon1

InChI Key InChIKey=GGCKFWXYKBJBSD-KRWDZBQOSA-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 = 242269   

TargetBeta-secretase 2(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM242269(US9416129, 47)
Affinity DataKi:  0.340nM ΔG°:  -13.1kcal/molepH: 5.0 T: 30°CAssay Description:Inhibitor compounds, prepared at 3× the desired final concentration in 1×BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0....More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent


TargetBeta-secretase 1(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM242269(US9416129, 47)
Affinity DataKi:  3.90nM ΔG°:  -11.7kcal/molepH: 5.0 T: 30°CAssay Description:Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 μl are preincubated with purified human BACE1 c...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent