BDBM118226 US8673966, N-(4-(7-((1-(2-hydroxypropanoyl)azetidin-3- yl)ethynyl)-4-oxo-4H-chromen-3-yl)phenyl)methanesulfonamide

SMILES CC(O)C(=O)N1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O

InChI Key InChIKey=SXGVHQWBBSWYAG-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 118226   

TargetAldehyde dehydrogenase, mitochondrial(Homo sapiens (Human))
Gilead Sciences

US Patent
LigandPNGBDBM118226(US8673966, N-(4-(7-((1-(2-hydroxypropanoyl)azetidi...)
Affinity DataIC50:  15nMpH: 7.4Assay Description:Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
Gilead Sciences

US Patent
LigandPNGBDBM118226(US8673966, N-(4-(7-((1-(2-hydroxypropanoyl)azetidi...)
Affinity DataIC50: >1.30E+5nMpH: 7.5Assay Description:MAO assays included luminogenic MAO substrate, reaction buffers, Luciferin Detection and the reconstitution buffer with esterase. Standard MAO reacti...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetAmine oxidase [flavin-containing] A(Homo sapiens (Human))
Gilead Sciences

US Patent
LigandPNGBDBM118226(US8673966, N-(4-(7-((1-(2-hydroxypropanoyl)azetidi...)
Affinity DataIC50: >1.30E+5nMpH: 7.5Assay Description:MAO assays included luminogenic MAO substrate, reaction buffers, Luciferin Detection and the reconstitution buffer with esterase. Standard MAO reacti...More data for this Ligand-Target Pair
In DepthDetails US Patent