BDBM50322464 2-(4,6-diphenethoxypyrimidin-2-ylthio)octanoic acid::CHEMBL1172003

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

InChI Key InChIKey=CTKVVCDWNBLQHQ-UHFFFAOYSA-N

Data  4 IC50  1 EC50

  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 = 50322464   

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

Curated by ChEMBL
LigandPNGBDBM50322464(2-(4,6-diphenethoxypyrimidin-2-ylthio)octanoic aci...)
Affinity DataEC50:  8.80E+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
TargetPolyunsaturated fatty acid 5-lipoxygenase(Human)
Zafes/Liff/Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50322464(2-(4,6-diphenethoxypyrimidin-2-ylthio)octanoic aci...)
Affinity DataIC50: 400nMAssay 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)
Zafes/Liff/Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50322464(2-(4,6-diphenethoxypyrimidin-2-ylthio)octanoic aci...)
Affinity DataIC50: 2.80E+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
LigandPNGBDBM50322464(2-(4,6-diphenethoxypyrimidin-2-ylthio)octanoic aci...)
Affinity DataIC50: 2.00E+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
TargetPolyunsaturated fatty acid 5-lipoxygenase(Human)
Zafes/Liff/Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50322464(2-(4,6-diphenethoxypyrimidin-2-ylthio)octanoic aci...)
Affinity DataIC50: 1.25E+4nMAssay Description:Inhibition of 5-lipoxygenase in human PMNL S100 supernatant assessed as inhibition of enzyme product formation preincubated for 5 to 10 mins before a...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed