BDBM276803 (S)-7-((4-fluoro-3-((R)-3-imino-2,5-dimethyl-1,1-dioxido-1,2,4-thiadiazinan-5-yl)phenyl)amino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile::US10071998, Example 18

SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(N[C@H]2CCc3cc(cnc23)[N+]#[C-])ccc1F

InChI Key InChIKey=ZIALEYRTTBBAOQ-UHFFFAOYSA-N

Data  2 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 276803   

TargetBeta-secretase 1(Human)
TBA

US Patent
LigandPNGBDBM276803((S)-7-((4-fluoro-3-((R)-3-imino-2,5-dimethyl-1,1-d...)
Affinity DataKi:  3.10nMpH: 5.0Assay Description:The following reagents were used in this assay. Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE-1...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/21/2018
Entry Details
US Patent

TargetBeta-secretase 2(Human)
TBA

US Patent
LigandPNGBDBM276803((S)-7-((4-fluoro-3-((R)-3-imino-2,5-dimethyl-1,1-d...)
Affinity DataKi:  22.3nMpH: 5.0Assay Description:Inhibitor IC50s, at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/21/2018
Entry Details
US Patent