BDBM477913 6-((3-((1R,5S,6S)-3-amino-5-(fluoromethyl)-1-((E)-3-morpholino-3-oxoprop-1-en-1-yl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)ethynyl)-5-methylnicotinonitrile::US10889581, Example 116

SMILES Cc1cc(cnc1C#Cc1ccc(F)c(c1)[C@@]1(CF)N=C(N)S[C@]2(C[C@@H]12)\C=C\C(=O)N1CCOCC1)C#N

InChI Key InChIKey=KJOFKJHARIZLRZ-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
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 477913   

TargetBeta-secretase 1(Human)
Amgen

US Patent
LigandPNGBDBM477913(US10889581, Example 116 | 6-((3-((1R,5S,6S)-3-amin...)
Affinity DataIC50: 5nMAssay 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
LigandPNGBDBM477913(US10889581, Example 116 | 6-((3-((1R,5S,6S)-3-amin...)
Affinity DataIC50: 166nMAssay 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
LigandPNGBDBM477913(US10889581, Example 116 | 6-((3-((1R,5S,6S)-3-amin...)
Affinity DataIC50: 1.72E+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