BDBM111813 (1E,4E)-1,5-Bis[2-methyl-4(N-ethyl-Nethylacetonitrile) aniline]-1,4-pentadiene-3-one (12)

SMILES CCN(CC)C(C#N)c1ccc(\C=C\C(=O)\C=C\c2ccc(cc2C)C(C#N)N(CC)CC)c(C)c1

InChI Key InChIKey=TVCXRBAIBUBMNN-YTEMWHBBSA-N

Data  5 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 5 hits for monomerid = 111813   

TargetPhospholipase A2(Homo sapiens (Human))
Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz, 50300, Kuala Lumpur, Malaysia

LigandPNGBDBM111813((1E,4E)-1,5-Bis[2-methyl-4(N-ethyl-Nethylacetonitr...)
Affinity DataIC50:  5.98E+3nMpH: 8.0 T: 2°CAssay Description:Substrate 1,2-bis(heptanoylthio)-glycerophosphocholine and human recombinant PLA2-V were resuspended in assay buffer, and DTNB was dissolved in an aq...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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TargetProstaglandin G/H synthase 1(Ovis aries (Sheep))
Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz, 50300, Kuala Lumpur, Malaysia

LigandPNGBDBM111813((1E,4E)-1,5-Bis[2-methyl-4(N-ethyl-Nethylacetonitr...)
Affinity DataIC50:  1.74E+4nMpH: 8.0 T: 2°CAssay Description:Reaction mixture containing 100 mM Tris-HCl buffer (pH 8) and COX-1 (ovine) or COX-2 (human recombinant) was preincubated for 10 min in a water bath ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetProstaglandin E synthase(Homo sapiens (Human))
Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz, 50300, Kuala Lumpur, Malaysia

LigandPNGBDBM111813((1E,4E)-1,5-Bis[2-methyl-4(N-ethyl-Nethylacetonitr...)
Affinity DataIC50:  7.89E+3nMpH: 7.0 T: 2°CAssay Description:The assay buffer contained 100 mM KHPO4 (pH 7.0), 2 mM EDTA and 2.5 mM reduced GSH. 100 µL of reaction buffer containing human recombinant mPGES...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetLipoxygenase(Glycine max (Soybean))
Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz, 50300, Kuala Lumpur, Malaysia

LigandPNGBDBM111813((1E,4E)-1,5-Bis[2-methyl-4(N-ethyl-Nethylacetonitr...)
Affinity DataIC50:  4.11E+4nMpH: 7.0 T: 2°CAssay Description:The assay was progressed in 96-well microliter plates containing substrate, soybean LOX enzyme, and respective test substance at room temperature in ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz, 50300, Kuala Lumpur, Malaysia

LigandPNGBDBM111813((1E,4E)-1,5-Bis[2-methyl-4(N-ethyl-Nethylacetonitr...)
Affinity DataIC50:  4.61E+4nMpH: 8.0 T: 2°CAssay Description:Reaction mixture containing 100 mM Tris-HCl buffer (pH 8) and COX-1 (ovine) or COX-2 (human recombinant) was preincubated for 10 min in a water bath ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed