BDBM372883 (1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-(but-2-yn-1-yloxy)pyrazin-2-yl)-2-fluorovinyl)-2-fluoropyridin-3-yl)-N,N,5-trimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 289

SMILES CC#CCOc1cnc(cn1)C(\F)=C\c1cnc(F)c(c1)[C@@]1(C)N=C(N)S[C@]2(C[C@@H]12)C(=O)N(C)C

InChI Key InChIKey=SASREFBZYITCBN-UHFFFAOYSA-N

Data  3 IC50

  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 = 372883   

TargetBeta-secretase 1(Human)
Amgen

US Patent
LigandPNGBDBM372883((1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-(but-2-yn-1-ylox...)
Affinity DataIC50: 0.800nMAssay 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:
12/30/2019
Entry Details
Go to US Patent

TargetBeta-secretase 2(Human)
Amgen

US Patent
LigandPNGBDBM372883((1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-(but-2-yn-1-ylox...)
Affinity DataIC50: 22nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/30/2019
Entry Details
Go to US Patent

TargetCathepsin D(Human)
Amgen

US Patent
LigandPNGBDBM372883((1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-(but-2-yn-1-ylox...)
Affinity DataIC50: 2.27E+5nMAssay Description:Recombinant Cat D was expressed in CHO cells. The assay buffer for CatD is 0.05M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) i...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/30/2019
Entry Details
Go to US Patent