BDBM249115 US9453034, 36c

SMILES C[C@]1(CS(=O)(=O)C2(CNC2)C(=N)N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F

InChI Key InChIKey=BHSQEGIREXMCMC-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 = 249115   

TargetBeta-secretase 2(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM249115(US9453034, 36c)
Affinity DataKi:  2.60nM ΔG°:  -11.9kcal/molepH: 5.0 T: 2°CAssay 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:
9/11/2017
Entry Details
Go to US Patent

TargetBeta-secretase 1(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM249115(US9453034, 36c)
Affinity DataKi:  3.70nM ΔG°:  -11.7kcal/molepH: 5.0 T: 2°CAssay Description:A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/11/2017
Entry Details
Go to US Patent