BDBM50322460 2-(4,6-Bis(2-cyclohexylethoxy)pyrimidin-2-ylthio)hexanoic acid::CHEMBL1171834

SMILES CCCCC(Sc1nc(OCCC2CCCCC2)cc(OCCC2CCCCC2)n1)C(O)=O

InChI Key InChIKey=JIQMZCWTMHNZTD-UHFFFAOYSA-N

Data  9 IC50  4 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50322460   

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

Curated by ChEMBL
LigandPNGBDBM50322460(2-(4,6-Bis(2-cyclohexylethoxy)pyrimidin-2-ylthio)h...)
Affinity DataEC50:  6.60E+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 Article
PubMed
TargetPresenilin-1(Human)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50322460(2-(4,6-Bis(2-cyclohexylethoxy)pyrimidin-2-ylthio)h...)
Affinity DataIC50: 5.10E+3nMAssay 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 Article
PubMed
TargetPresenilin-1(Human)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50322460(2-(4,6-Bis(2-cyclohexylethoxy)pyrimidin-2-ylthio)h...)
Affinity DataEC50:  4.60E+3nMAssay 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 Article
PubMed
TargetPolyunsaturated fatty acid 5-lipoxygenase(Human)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50322460(2-(4,6-Bis(2-cyclohexylethoxy)pyrimidin-2-ylthio)h...)
Affinity DataIC50: 800nMAssay 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 Article
PubMed
TargetProstaglandin G/H synthase 1(Sheep)
Zafes/Liff/Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50322460(2-(4,6-Bis(2-cyclohexylethoxy)pyrimidin-2-ylthio)h...)
Affinity DataIC50: 1.34E+4nMAssay Description:Inhibition of ovine COX1 after 5 minsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProstaglandin G/H synthase 2(Human)
Zafes/Liff/Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50322460(2-(4,6-Bis(2-cyclohexylethoxy)pyrimidin-2-ylthio)h...)
Affinity DataIC50: 1.09E+4nMAssay Description:Inhibition of human recombinant COX2 after 5 minsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPeroxisome proliferator-activated receptor gamma(Human)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50322460(2-(4,6-Bis(2-cyclohexylethoxy)pyrimidin-2-ylthio)h...)
Affinity DataEC50:  6.60E+3nMAssay Description:Agonist activity at human PPARgamma-LBD expressed in COS7 cells co-transfected with Gal4 by luciferase based transactivation assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPeroxisome proliferator-activated receptor gamma(Human)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50322460(2-(4,6-Bis(2-cyclohexylethoxy)pyrimidin-2-ylthio)h...)
Affinity DataEC50:  6.60E+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 Article
PubMed
TargetProstaglandin G/H synthase 2(Human)
Zafes/Liff/Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50322460(2-(4,6-Bis(2-cyclohexylethoxy)pyrimidin-2-ylthio)h...)
Affinity DataIC50: 1.09E+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 Article
PubMed
TargetProstaglandin G/H synthase 1(Sheep)
Zafes/Liff/Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50322460(2-(4,6-Bis(2-cyclohexylethoxy)pyrimidin-2-ylthio)h...)
Affinity DataIC50: 1.34E+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 Article
PubMed
TargetPolyunsaturated fatty acid 5-lipoxygenase(Human)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50322460(2-(4,6-Bis(2-cyclohexylethoxy)pyrimidin-2-ylthio)h...)
Affinity DataIC50: 800nMAssay Description:Inhibition of 5-lipoxygenase-mediated 5(S)-H(p)ETE formation in fMLP-stimulated human PMNL incubated 10 mins prior to fMLP challengeMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPolyunsaturated fatty acid 5-lipoxygenase(Human)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50322460(2-(4,6-Bis(2-cyclohexylethoxy)pyrimidin-2-ylthio)h...)
Affinity DataIC50: 9.00E+3nMAssay Description:Inhibition of human recombinant 5-lipoxygenase-mediated product formation from arachidonic acid after 5 to 10 mins by HPLC analysisMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProstaglandin E synthase(Human)
Zafes/Liff/Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50322460(2-(4,6-Bis(2-cyclohexylethoxy)pyrimidin-2-ylthio)h...)
Affinity DataIC50: 2.40E+3nMAssay Description:Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as reduction of PGE2 formation from PGH2 after 15 mins by RP-HPLC an...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed