BDBM372816 (1R,5S,6S)-5-(5-((Z)-2-(5-((S)-but-3-yn-2-yloxy)pyrazin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-5-methyl-1-(methylsulfonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-3-amine::US10246429, Example 232

SMILES C[C@H](Oc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)S[C@]2(C[C@@H]12)S(C)(=O)=O)C#C

InChI Key InChIKey=FDHHRWRYGLMHDI-XIMBKFHCSA-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 = 372816   

TargetBeta-secretase 1(Homo sapiens (Human))
Amgen

US Patent
LigandPNGBDBM372816((1R,5S,6S)-5-(5-((Z)-2-(5-((S)-but-3-yn-2-yloxy)py...)
Affinity DataIC50:  1nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCathepsin D(Homo sapiens (Human))
Amgen

US Patent
LigandPNGBDBM372816((1R,5S,6S)-5-(5-((Z)-2-(5-((S)-but-3-yn-2-yloxy)py...)
Affinity DataIC50:  8.85E+4nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetBeta-secretase 2(Homo sapiens (Human))
Amgen

US Patent
LigandPNGBDBM372816((1R,5S,6S)-5-(5-((Z)-2-(5-((S)-but-3-yn-2-yloxy)py...)
Affinity DataIC50:  108nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent