BDBM335447 (3R,6S)-5-amino-3-(2-((3-(but- 2-yn-1-yloxy)-1,7-naphthyridin- 8-yl)amino)-5-fluoropyridin-4- yl)-6-cyclopropyl-3,6-dimethyl- 3,6-dihydro-2H-1,4-thiazine 1,1-dioxide::US9732088, Example 10

SMILES CC#CCOc1cnc2c(Nc3cc(c(F)cn3)[C@]3(C)CS(=O)(=O)[C@@](C)(C4CC4)C(N)=N3)nccc2c1

InChI Key InChIKey=OLBKIKACONSTEG-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 = 335447   

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

US Patent
LigandPNGBDBM335447((3R,6S)-5-amino-3-(2-((3-(but- 2-yn-1-yloxy)-1,7-n...)
Affinity DataKi:  0.640nMAssay 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
LigandPNGBDBM335447((3R,6S)-5-amino-3-(2-((3-(but- 2-yn-1-yloxy)-1,7-n...)
Affinity DataKi:  0.790nMAssay 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
LigandPNGBDBM335447((3R,6S)-5-amino-3-(2-((3-(but- 2-yn-1-yloxy)-1,7-n...)
Affinity DataKi: >9.40E+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