BDBM600716 US11629154, Example I-069

SMILES COc1cnc(C(=O)Nc2ccc(F)c([C@@]3(CF)N=C(N)O[C@@H]4C[C@@H](C)OC[C@@H]43)c2)cn1

InChI Key InChIKey=ZLSNBEALWSIECG-UHFFFAOYSA-N

Data  2 IC50

  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 = 600716   

TargetBeta-secretase 1(Human)
Shionogi

US Patent
LigandChemical structure of BindingDB Monomer ID 600716BDBM600716(US11629154, Example I-069)
Affinity DataIC50: 11.7nMAssay Description:To explore the BACE1 versus BACE2 enzyme selectivity, the binding affinity (Ki) to the respective purified enzymes was determined in a competitive ra...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/27/2023
Entry Details
US Patent

TargetBeta-secretase 2(Human)
Shionogi

US Patent
LigandChemical structure of BindingDB Monomer ID 600716BDBM600716(US11629154, Example I-069)
Affinity DataIC50: 1.45E+3nMAssay Description:To explore the BACE1 versus BACE2 enzyme selectivity, the binding affinity (Ki) to the respective purified enzymes was determined in a competitive ra...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/27/2023
Entry Details
US Patent