BDBM118228 US8673966, N-(4-(7-((1-(2,2-difluorocyclopropane- carbonyl)azetidin-3-yl)ethynyl)-4-oxo-4H-chromen-3-yl)phenyl)methanesulfonamide

SMILES CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1CN(C1)C(=O)C1CC1(F)F

InChI Key InChIKey=DMDVCUMKZDMAME-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 = 118228   

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

US Patent
LigandPNGBDBM118228(US8673966, N-(4-(7-((1-(2,2-difluorocyclopropane- ...)
Affinity DataIC50:  5nMpH: 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
LigandPNGBDBM118228(US8673966, N-(4-(7-((1-(2,2-difluorocyclopropane- ...)
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
LigandPNGBDBM118228(US8673966, N-(4-(7-((1-(2,2-difluorocyclopropane- ...)
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