BDBM448209 US10689401, EX 13::US11008338, Example 13

SMILES CC1(C)C(=N)N[C@]2(CO[C@H](C[C@H]2S1(=O)=O)c1ccc(F)cc1)c1cc(OCC2CC2)ccc1F

InChI Key InChIKey=IUWNLGMMWSCZQJ-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 448209   

TargetBeta-secretase 2(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM448209(US10689401, EX 13 | US11008338, Example 13)
Affinity DataKi:  11.7nMAssay Description:BACE2: Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/15/2021
Entry Details
US Patent

TargetBeta-secretase 2(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM448209(US10689401, EX 13 | US11008338, Example 13)
Affinity DataKi:  11.7nMAssay Description:BACE-2: Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2021
Entry Details
US Patent

TargetBeta-secretase 1(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM448209(US10689401, EX 13 | US11008338, Example 13)
Affinity DataKi:  115nMAssay Description:BACE1: A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/15/2021
Entry Details
US Patent

TargetBeta-secretase 1(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM448209(US10689401, EX 13 | US11008338, Example 13)
Affinity DataKi:  115nMAssay Description:BACE1: A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2021
Entry Details
US Patent