BDBM249091 US9453034, 5

SMILES CN1CC2(C1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F

InChI Key InChIKey=JOSATGAYPZWFMY-IBGZPJMESA-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
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 249091   

TargetBeta-secretase 2(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM249091(US9453034, 5)
Affinity DataKi:  0.400nM ΔG°:  -13.0kcal/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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetBeta-secretase 2(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM249091(US9453034, 5)
Affinity DataKi:  1.20nMAssay Description:Inhibition of human BACE2 preincubated for 30 mins followed by QSY7- EISEVNLDAEFC-Eu-amide substrate addition and measured after 1.5 hrs by HTRF assa...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM249091(US9453034, 5)
Affinity DataKi:  2.20nM ΔG°:  -12.0kcal/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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetBeta-secretase 1(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM249091(US9453034, 5)
Affinity DataKi:  6.10nMAssay Description:Inhibition of human BACE1 catalytic domain preincubated for 30 mins followed by QSY7-EISEVNLDAEFC-Europium-amide substrate addition and measured afte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed