BDBM477903 6-((3-((1R,5S,6S)-3-amino-1-(cyanomethyl)-5-(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)ethynyl)nicotinonitrile::US10889581, Example 106

SMILES NC1=N[C@@](CF)([C@@H]2C[C@]2(CC#N)S1)c1cc(ccc1F)C#Cc1ccc(cn1)C#N

InChI Key InChIKey=RJOFQCKQEMAZEM-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 477903   

TargetBeta-secretase 1(Human)
Amgen

US Patent
LigandPNGBDBM477903(US10889581, Example 106 | 6-((3-((1R,5S,6S)-3-amin...)
Affinity DataIC50: 84nMAssay 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:
8/9/2021
Entry Details
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TargetBeta-secretase 2(Human)
Amgen

US Patent
LigandPNGBDBM477903(US10889581, Example 106 | 6-((3-((1R,5S,6S)-3-amin...)
Affinity DataIC50: 4.73E+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:
8/9/2021
Entry Details
Go to US Patent

TargetCathepsin D(Human)
Amgen

US Patent
LigandPNGBDBM477903(US10889581, Example 106 | 6-((3-((1R,5S,6S)-3-amin...)
Affinity DataIC50: 6.14E+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:
8/9/2021
Entry Details
Go to US Patent