BDBM236612 US9365589, 10b

SMILES C[C@H]1OC[C@@]2(NC(=N)C(C)(C)S(=O)(=O)[C@H]12)c1cc(NC(=O)c2ccc(F)cn2)ccc1F

InChI Key InChIKey=CNUQXSYODYTLTM-UHFFFAOYSA-N

Data  2 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 236612   

TargetBeta-secretase 2(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM236612(US9365589, 10b)
Affinity DataKi:  2nMpH: 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
LigandPNGBDBM236612(US9365589, 10b)
Affinity DataKi:  7nM ΔG°:  -11.3kcal/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