BDBM111809 2,6-Bis[2-methyl-4(N-ethyl-N-ethylacetonitrile) aniline]cyclohexanone (6)

SMILES CCN(CC)C(C#C)c1ccc(\C=C2/CCC\C(=C/c3ccc(cc3C)C(C#C)N(CC)CC)C2=O)c(C)c1

InChI Key InChIKey=LNNBVYQQKDSOSX-UHFFFAOYSA-N

Data  5 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 5 hits for monomerid = 111809   

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

LigandPNGBDBM111809(2,6-Bis[2-methyl-4(N-ethyl-N-ethylacetonitrile) an...)
Affinity DataIC50: 5.89E+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
In Depth
Date in BDB:
7/18/2014
Entry Details Article
PubMed
TargetProstaglandin G/H synthase 1(Sheep)
Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz, 50300, Kuala Lumpur, Malaysia

LigandPNGBDBM111809(2,6-Bis[2-methyl-4(N-ethyl-N-ethylacetonitrile) an...)
Affinity DataIC50: 1.67E+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
In Depth
Date in BDB:
7/18/2014
Entry Details Article
PubMed
TargetProstaglandin G/H synthase 2(Human)
Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz, 50300, Kuala Lumpur, Malaysia

LigandPNGBDBM111809(2,6-Bis[2-methyl-4(N-ethyl-N-ethylacetonitrile) an...)
Affinity DataIC50: 5.78E+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
In Depth
Date in BDB:
7/18/2014
Entry Details Article
PubMed
TargetLipoxygenase(Soybean)
Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz, 50300, Kuala Lumpur, Malaysia

LigandPNGBDBM111809(2,6-Bis[2-methyl-4(N-ethyl-N-ethylacetonitrile) an...)
Affinity DataIC50: 3.00E+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
In Depth
Date in BDB:
7/18/2014
Entry Details Article
PubMed
TargetProstaglandin E synthase(Human)
Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz, 50300, Kuala Lumpur, Malaysia

LigandPNGBDBM111809(2,6-Bis[2-methyl-4(N-ethyl-N-ethylacetonitrile) an...)
Affinity DataIC50: 4.48E+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
In Depth
Date in BDB:
7/18/2014
Entry Details Article
PubMed