BDBM600731 US11629154, Example I-102::US11629154, Example I-107

SMILES NC1=N[C@@](CF)([C@H]2COCC[C@H]2O1)c1cc(NC(=O)c2cnc(cn2)C(F)(F)F)ccc1F

InChI Key InChIKey=WWMUJNOGRJAFEV-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 600731   

TargetBeta-secretase 1(Human)
Shionogi

US Patent
LigandPNGBDBM600731(US11629154, Example I-107 | US11629154, Example I-...)
Affinity DataIC50: 33.9nMAssay 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 1(Human)
Shionogi

US Patent
LigandPNGBDBM600731(US11629154, Example I-107 | US11629154, Example I-...)
Affinity DataIC50: 53.7nMAssay 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
LigandPNGBDBM600731(US11629154, Example I-107 | US11629154, Example I-...)
Affinity DataIC50: 977nMAssay 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
LigandPNGBDBM600731(US11629154, Example I-107 | US11629154, Example I-...)
Affinity DataIC50: 3.39E+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