BDBM477912 6-((3-((1S,5S,6S)-3-amino-5-(fluoromethyl)-1-((4-methyl-1H-1,2,3-triazol-1-yl)methyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)ethynyl)nicotinonitrile::US10889581, Example 115

SMILES Cc1cn(C[C@]23C[C@H]2[C@](CF)(N=C(N)S3)c2cc(ccc2F)C#Cc2ccc(cn2)C#N)nn1

InChI Key InChIKey=BCIAXCKWZIUDAP-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 477912   

TargetBeta-secretase 1(Human)
Amgen

US Patent
LigandPNGBDBM477912(US10889581, Example 115 | 6-((3-((1S,5S,6S)-3-amin...)
Affinity DataIC50: 109nMAssay 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
US Patent

TargetBeta-secretase 2(Human)
Amgen

US Patent
LigandPNGBDBM477912(US10889581, Example 115 | 6-((3-((1S,5S,6S)-3-amin...)
Affinity DataIC50: 2.18E+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
US Patent

TargetCathepsin D(Human)
Amgen

US Patent
LigandPNGBDBM477912(US10889581, Example 115 | 6-((3-((1S,5S,6S)-3-amin...)
Affinity DataIC50: 1.03E+6nMAssay 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
US Patent