BDBM236604 US9365589, 4d::US9365589, 4g

SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]12COC(CF)[C@H]1S(=O)(=O)C(C)(C)C(=N)N2

InChI Key InChIKey=POWOFNJUGKWUOO-UHFFFAOYSA-N

Data  4 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 236604   

TargetBeta-secretase 2(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM236604(US9365589, 4d | US9365589, 4g)
Affinity DataKi:  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-EISEVN...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/10/2017
Entry Details
US Patent

TargetBeta-secretase 1(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM236604(US9365589, 4d | US9365589, 4g)
Affinity DataKi:  3nM ΔG°:  -11.8kcal/molepH: 5.0 T: 2°CAssay Description:This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/10/2017
Entry Details
US Patent

TargetBeta-secretase 2(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM236604(US9365589, 4d | US9365589, 4g)
Affinity DataKi:  96nMpH: 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-EISEVN...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/10/2017
Entry Details
US Patent

TargetBeta-secretase 1(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM236604(US9365589, 4d | US9365589, 4g)
Affinity DataKi:  101nM ΔG°:  -9.70kcal/molepH: 5.0 T: 2°CAssay Description:This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/10/2017
Entry Details
US Patent