BDBM50063779 1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofuran-5-yl)-pentan-1-one::CHEMBL13661

SMILES CCCCC(=O)c1cc2c(OCC2(C)C)c(c1)C(C)(C)C

InChI Key InChIKey=FXJCAIFBZLJKSL-UHFFFAOYSA-N

Data  6 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50063779   

TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50063779(1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofura...)
Affinity DataIC50:  2.00E+3nMAssay Description:Concentration (in microM) to inhibit 50% of Prostaglandin G/H synthase 1 (COX-1) and is expressed in IC50.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50063779(1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofura...)
Affinity DataIC50:  2.00E+3nMAssay Description:Inhibition of Prostaglandin G/H synthase 1 (COX-1).More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50063779(1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofura...)
Affinity DataIC50:  40nMAssay Description:Inhibition of Prostaglandin G/H synthase 2 (COX-2).More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50063779(1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofura...)
Affinity DataIC50:  1.20E+4nMAssay Description:The compound was tested for the concentration (in microM) to inhibit 50% of 5-Lipoxygenase (5-LOX) and is expressed in IC50.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50063779(1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofura...)
Affinity DataIC50:  1.20E+4nMAssay Description:Inhibition of 1-lipoxygenase (LOX)in RBL cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50063779(1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofura...)
Affinity DataIC50:  40nMAssay Description:Concentration (in microM) to inhibit 50% of Prostaglandin G/H synthase 2 (COX-2) and is expressed in IC50.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed