BDBM335448 (3R,6S)-5-amino-3-(5-((3-(but- 2-yn-1-yloxy)-1,7-naphthyridin- 8-yl)amino)-2-fluoropyridin-3- yl)-6-cyclopropyl-6- (fluoromethyl)-3-methyl-3,6- dihydro-2H-1,4-thiazine 1,1- dioxide::US9732088, Example 11

SMILES CC#CCOc1cnc2c(Nc3cnc(F)c(c3)[C@]3(C)CS(=O)(=O)[C@@](CF)(C4CC4)C(N)=N3)nccc2c1

InChI Key InChIKey=KZFGEZJUHWUIBB-UIOOFZCWSA-N

Data  3 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 3 hits for monomerid = 335448   

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

US Patent
LigandPNGBDBM335448((3R,6S)-5-amino-3-(5-((3-(but- 2-yn-1-yloxy)-1,7-n...)
Affinity DataKi:  0.910nMAssay 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
LigandPNGBDBM335448((3R,6S)-5-amino-3-(5-((3-(but- 2-yn-1-yloxy)-1,7-n...)
Affinity DataKi:  7.5nMAssay 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
LigandPNGBDBM335448((3R,6S)-5-amino-3-(5-((3-(but- 2-yn-1-yloxy)-1,7-n...)
Affinity DataKi:  857nMAssay 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