BDBM486436 6-((Z)-2-(3-((1R,5S,6R)-3-amino-5-(difluoromethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10947223, Example 102

SMILES NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F

InChI Key InChIKey=ZIGJKNSPSNZHBM-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 486436   

TargetBeta-secretase 1(Human)
Amgen

US Patent
LigandPNGBDBM486436(6-((Z)-2-(3-((1R,5S,6R)-3-amino-5-(difluoromethyl)...)
Affinity DataIC50: 152nMAssay Description:The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/26/2021
Entry Details
Go to US Patent

TargetBeta-secretase 1(Human)
Amgen

US Patent
LigandPNGBDBM486436(6-((Z)-2-(3-((1R,5S,6R)-3-amino-5-(difluoromethyl)...)
Affinity DataIC50: 344nMAssay Description:The cell-based assay measures inhibition or reduction of Aβ40 in conditioned medium of test compound treated cells expressing amyloid precursor ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/26/2021
Entry Details
Go to US Patent

TargetBeta-secretase 2(Mouse)
Amgen

US Patent
LigandPNGBDBM486436(6-((Z)-2-(3-((1R,5S,6R)-3-amino-5-(difluoromethyl)...)
Affinity DataIC50: 1.62E+3nMAssay Description:The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/26/2021
Entry Details
Go to US Patent

TargetCathepsin D(Human)
Amgen

US Patent
LigandPNGBDBM486436(6-((Z)-2-(3-((1R,5S,6R)-3-amino-5-(difluoromethyl)...)
Affinity DataIC50: 2.22E+5nMAssay Description:Recombinant CatD was expressed in CHO cells. The assay buffer for CatD was 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/26/2021
Entry Details
Go to US Patent