BDBM50273683 2-(4,6-Diphenethoxypyrimidin-2-ylthio)hexanoic acid::CHEMBL461883

SMILES CCCCC(Sc1nc(OCCc2ccccc2)cc(OCCc2ccccc2)n1)C(O)=O

InChI Key InChIKey=KYRBYBXVVWQIJQ-UHFFFAOYSA-N

Data  11 IC50  4 EC50

  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 7 hits for monomerid = 50273683   

TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50273683(2-(4,6-Diphenethoxypyrimidin-2-ylthio)hexanoic aci...)
Affinity DataEC50:  8.30E+3nMAssay Description:Activation of human PPARgamma ligand binding domain expressed in COS7 cells by dual luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50273683(2-(4,6-Diphenethoxypyrimidin-2-ylthio)hexanoic aci...)
Affinity DataIC50:  600nMAssay Description:Inhibition of 5-LO in human human PMNL assessed as reduction in 5-LO product formation pre-incubated for 15 mins before addition of arachidonic acid ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPresenilin-1(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50273683(2-(4,6-Diphenethoxypyrimidin-2-ylthio)hexanoic aci...)
Affinity DataEC50:  1.13E+4nMAssay Description:Activation of wild-type human presenilin-1 stably overexpressed in CHO cells co-expressing wild-type human amyloid precursor protein assessed as amyl...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50273683(2-(4,6-Diphenethoxypyrimidin-2-ylthio)hexanoic aci...)
Affinity DataEC50:  8.30E+3nMAssay Description:Modulation of human PPARgamma-LBD expressed in african green monkey COS7 cells co-transfected with Gal4 assessed as activation of transactivation act...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 1(Ovis aries (Sheep))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50273683(2-(4,6-Diphenethoxypyrimidin-2-ylthio)hexanoic aci...)
Affinity DataIC50:  1.67E+4nMAssay Description:Inhibition of ovine COX-1 assessed as residual activity by measuring formation of 12-HHT from arachidonic acid by HPLC analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50273683(2-(4,6-Diphenethoxypyrimidin-2-ylthio)hexanoic aci...)
Affinity DataIC50: >4.00E+4nMAssay Description:Inhibition of human recombinant COX-2 assessed as residual activity by measuring formation of 12-HHT from arachidonic acid by HPLC analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPresenilin-1(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50273683(2-(4,6-Diphenethoxypyrimidin-2-ylthio)hexanoic aci...)
Affinity DataIC50:  2.28E+4nMAssay Description:Inhibition of wild-type human presenilin-1 stably overexpressed in CHO cells co-expressing wild-type human amyloid precursor protein assessed as inhi...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed