BDBM705852 (1S,5S,6S)-3-amino-5-(5-(5-((S)-but-3-yn-2-yloxy)pyrazine-2-carboxamido)-2-fluorophenyl)-N,5-dimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US20160046618, Example 978

SMILES C#C[C@H](C)Oc1cnc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)S[C@@]4(C(=O)NC)C[C@H]43)c2)cn1

InChI Key InChIKey=NOIMXCHFMTVPOT-UHFFFAOYSA-N

  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 3 hits for monomerid = 705852   

TargetBeta-secretase 1(Human)
Amgen

US Patent
LigandPNGBDBM705852((1S,5S,6S)-3-amino-5-(5-(5-((S)-but-3-yn-2-yloxy)p...)
Affinity DataIC50: 0.344nMAssay Description:The cDNAs for both human recombinant BACE1 and BACE2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were sub...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
4/9/2025
Entry Details
US Patent

TargetBeta-secretase 2(Human)
Amgen

US Patent
LigandPNGBDBM705852((1S,5S,6S)-3-amino-5-(5-(5-((S)-but-3-yn-2-yloxy)p...)
Affinity DataIC50: 19.5nMAssay Description:The cDNAs for both human recombinant BACE1 and BACE2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were sub...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
4/9/2025
Entry Details
US Patent

TargetCathepsin D(Human)
Amgen

US Patent
LigandPNGBDBM705852((1S,5S,6S)-3-amino-5-(5-(5-((S)-but-3-yn-2-yloxy)p...)
Affinity DataIC50: 4.00E+5nMAssay Description:Recombinant Cat D was expressed in CHO cells. The assay buffer for CathepsinD is 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The Cat D enzyme ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
4/9/2025
Entry Details
US Patent