BDBM236601 US9365589, 4a::US9365589, 4b

SMILES CC1(C)C(=N)N[C@]2(COC(CF)[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F

InChI Key InChIKey=WBKZBNDBMVILOR-UHFFFAOYSA-N

Data  4 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 236601   

TargetBeta-secretase 2(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM236601(US9365589, 4a | US9365589, 4b)
Affinity DataKi:  1nMpH: 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
LigandPNGBDBM236601(US9365589, 4a | US9365589, 4b)
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
LigandPNGBDBM236601(US9365589, 4a | US9365589, 4b)
Affinity DataKi:  18nMpH: 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
LigandPNGBDBM236601(US9365589, 4a | US9365589, 4b)
Affinity DataKi:  42nM ΔG°:  -10.2kcal/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