BDBM242923 US9422255, 4a

SMILES CN[S@]1(O)C[C@](C)(NC(=N)C1(C)C)c1cc(NC(=O)c2cnc(OC)cn2)ccc1F

InChI Key InChIKey=RKURZQFUHCVKFF-FQEVSTJZSA-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 = 242923   

TargetBeta-secretase 1(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM242923(US9422255, 4a)
Affinity DataKi:  6nM ΔG°:  -11.4kcal/molepH: 5.0 T: 2°CAssay Description:Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetBeta-secretase 2(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM242923(US9422255, 4a)
Affinity DataKi:  12nM ΔG°:  -11.0kcal/molepH: 5.0 T: 2°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