BDBM600732 US11629154, Example I-103

SMILES NC1=N[C@](CF)(c2cc(NC(=O)c3cnc(C(F)F)cn3)ccc2F)[C@H]2COCC[C@H]2O1

InChI Key InChIKey=AFQJGQCQKMRZCS-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 = 600732   

TargetBeta-secretase 1(Human)
Shionogi

US Patent
LigandChemical structure of BindingDB Monomer ID 600732BDBM600732(US11629154, Example I-103)
Affinity DataIC50: 21.9nMAssay 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 600732BDBM600732(US11629154, Example I-103)
Affinity DataIC50: 316nMAssay 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