BDBM242933 US9422255, 10a

SMILES CN=S1(=O)C[C@](C)(NC(=N)[C@@]1(C)c1ccc(F)cc1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F

InChI Key InChIKey=VZIVUHOUMOSFOZ-FRTPCAPJSA-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:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 242933   

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

US Patent
LigandPNGBDBM242933(US9422255, 10a)
Affinity DataKi:  106nM ΔG°:  -9.67kcal/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
LigandPNGBDBM242933(US9422255, 10a)
Affinity DataKi:  290nM ΔG°:  -9.06kcal/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