BDBM335454 (3R,6S)-5-amino-3-(5-((2-(but- 2-yn-1-yloxy)pyrido[3,4- b]pyrazin-5-yl)amino)-2- fluoropyridin-3-yl)-6- cyclopropyl-6-(fluoromethyl)- 3-methyl-3,6-dihydro-2H-1,4- thiazine 1,1-dioxide::US9732088, Example 13

SMILES CC#CCOc1cnc2c(Nc3cnc(F)c(c3)[C@]3(C)CS(=O)(=O)[C@@](CF)(C4CC4)C(N)=N3)nccc2n1

InChI Key InChIKey=OVGRAIBUURUVLO-DQEYMECFSA-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 = 335454   

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

US Patent
LigandPNGBDBM335454((3R,6S)-5-amino-3-(5-((2-(but- 2-yn-1-yloxy)pyrido...)
Affinity DataKi:  0.650nMAssay 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
TargetBeta-secretase 2(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM335454((3R,6S)-5-amino-3-(5-((2-(but- 2-yn-1-yloxy)pyrido...)
Affinity DataKi:  1.10nMAssay 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
TargetCathepsin D(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM335454((3R,6S)-5-amino-3-(5-((2-(but- 2-yn-1-yloxy)pyrido...)
Affinity DataKi:  3.38E+3nMAssay 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