BDBM372697 (1S,5S,6S)-5-(5-((E)-2-(5-chloropyridin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-5-(fluoromethyl)-1-(methoxymethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-3-amine::US10246429, Example 101

SMILES COC[C@]12C[C@H]1[C@](CF)(N=C(N)S2)c1cc(\C=C(\F)c2ccc(Cl)cn2)ccc1F

InChI Key InChIKey=DGFXDPYXKFNNAW-VDTLHJFLSA-N

Data  6 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 6 hits for monomerid = 372697   

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

US Patent
LigandPNGBDBM372697((1S,5S,6S)-5-(5-((E)-2-(5-chloropyridin-2-yl)-2-fl...)
Affinity DataIC50:  303nMAssay 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
TargetBeta-secretase 2(Homo sapiens (Human))
Amgen

US Patent
LigandPNGBDBM372697((1S,5S,6S)-5-(5-((E)-2-(5-chloropyridin-2-yl)-2-fl...)
Affinity DataIC50:  281nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetBeta-secretase 1(Homo sapiens (Human))
Amgen

US Patent
LigandPNGBDBM372697((1S,5S,6S)-5-(5-((E)-2-(5-chloropyridin-2-yl)-2-fl...)
Affinity DataIC50:  1.60E+3nMAssay Description:Inhibition of BACE1 in human HEK293 cells transfected with human wild type APP assessed as reduction in Abeta40 production incubated for overnight by...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Amgen

US Patent
LigandPNGBDBM372697((1S,5S,6S)-5-(5-((E)-2-(5-chloropyridin-2-yl)-2-fl...)
Affinity DataIC50:  303nMAssay Description:Inhibition of recombinant human BACE1 using fluorescence substrate preincubated for 60 mins followed by substrate addition and measured after 60 mins...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetBeta-secretase 2(Homo sapiens (Human))
Amgen

US Patent
LigandPNGBDBM372697((1S,5S,6S)-5-(5-((E)-2-(5-chloropyridin-2-yl)-2-fl...)
Affinity DataIC50:  281nMAssay Description:Inhibition of recombinant human BACE2 using fluorescence substrate preincubated for 60 mins followed by substrate addition and measured after 60 mins...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCathepsin D(Homo sapiens (Human))
Amgen

US Patent
LigandPNGBDBM372697((1S,5S,6S)-5-(5-((E)-2-(5-chloropyridin-2-yl)-2-fl...)
Affinity DataIC50:  1.54E+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
Ligand InfoPC cidPC sid
In DepthDetails US Patent