BDBM705872 N-(3-((1S,5S,6S)-3-amino-5-methyl-1-(morpholine-4-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide::US20160046618, Example 998

SMILES C[C@]1(c2cc(NC(=O)c3cnc(OCC(F)(F)F)cn3)ccc2F)N=C(N)S[C@@]2(C(=O)N3CCOCC3)C[C@H]21

InChI Key InChIKey=AOKIPVSNIFDFTR-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 = 705872   

TargetBeta-secretase 1(Human)
Amgen

US Patent
LigandPNGBDBM705872(N-(3-((1S,5S,6S)-3-amino-5-methyl-1-(morpholine-4-...)
Affinity DataIC50: 0.146nMAssay 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
LigandPNGBDBM705872(N-(3-((1S,5S,6S)-3-amino-5-methyl-1-(morpholine-4-...)
Affinity DataIC50: 75.4nMAssay 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
LigandPNGBDBM705872(N-(3-((1S,5S,6S)-3-amino-5-methyl-1-(morpholine-4-...)
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