BDBM247281 US9447085, 4b

SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=S)c2ccc(F)cn2)ccc1F

InChI Key InChIKey=FUVBHHZXMIZBJO-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 = 247281   

TargetBeta-secretase 2(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM247281(US9447085, 4b)
Affinity DataKi:  2nM ΔG°:  -12.1kcal/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
TargetBeta-secretase 1(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM247281(US9447085, 4b)
Affinity DataKi:  25nM ΔG°:  -10.5kcal/molepH: 5.0 T: 2°CAssay Description:This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent