BDBM335470 (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-3,6-dimethyl-3,6- dihydro-2H-1,4-thiazine 1,1- dioxide::US9732088, Example 29

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

InChI Key InChIKey=BJPKAAAEFSVBLQ-UHFFFAOYSA-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 = 335470   

TargetBeta-secretase 1(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM335470((3R,6S)-5-amino-3-(5-((2-(but- 2-yn-1-yloxy)pyrido...)
Affinity DataKi:  1.80nMAssay 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
In Depth
Date in BDB:
6/23/2019
Entry Details
Go to US Patent

TargetBeta-secretase 2(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM335470((3R,6S)-5-amino-3-(5-((2-(but- 2-yn-1-yloxy)pyrido...)
Affinity DataKi:  24nMAssay 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
In Depth
Date in BDB:
6/23/2019
Entry Details
Go to US Patent

TargetCathepsin D(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM335470((3R,6S)-5-amino-3-(5-((2-(but- 2-yn-1-yloxy)pyrido...)
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
In Depth
Date in BDB:
6/23/2019
Entry Details
Go to US Patent