BDBM335424 8-((3-((3R,6S)-5-amino-6- cyclopropyl-6-(fluoromethyl)- 3-methyl-1,1-dioxido-3,6- dihydro-2H-1,4-thiazin-3-yl)-4- fluorophenyl)amino)-1,7- naphthyridine-3-carbonitrile::US9732088, Example 1

SMILES C[C@]1(CS(=O)(=O)[C@@](CF)(C2CC2)C(N)=N1)c1cc(Nc2nccc3cc(cnc23)C#N)ccc1F

InChI Key InChIKey=FBHQTYOTNRAHFY-ZEQRLZLVSA-N

Data  3 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 335424   

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

US Patent
LigandPNGBDBM335424(8-((3-((3R,6S)-5-amino-6- cyclopropyl-6-(fluoromet...)
Affinity DataKi:  0.600nMAssay Description:The compounds of the invention were determined to be potent inhibitors of BACE-2 using the following assay. Inhibitor IC50s at purified human autoBAC...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
LigandPNGBDBM335424(8-((3-((3R,6S)-5-amino-6- cyclopropyl-6-(fluoromet...)
Affinity DataKi:  1.30nMAssay Description:The compounds of the invention were determined to be potent inhibitors of BACE-1 using the following assay.The following reagents were used in this a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCathepsin D(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM335424(8-((3-((3R,6S)-5-amino-6- cyclopropyl-6-(fluoromet...)
Affinity DataKi:  563nMAssay Description:The following reagents were used in this assay: Na+-Acetate pH 5.0; 1% Brij-35; Dimethyl Sulfoxide (DMSO); Purified human Cathepsin-D (>95% pure); As...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent