BDBM50085041 2-(4-(3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy)phenoxy)acetic acid::CHEMBL153057::L-165041::L165041::{4-[3-(4-Acetyl-3-hydroxy-2-propyl-phenoxy)-propoxy]-phenoxy}-acetic acid(L-165041)::{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acid

SMILES CCCc1c(O)c(ccc1OCCCOc1ccc(OCC(O)=O)cc1)C(C)=O

InChI Key InChIKey=HBBVCKCCQCQCTJ-UHFFFAOYSA-N

Data  1 IC50  2 Kd  20 EC50  1 Koff  1 ITC

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 24 hits for monomerid = 50085041   

TargetFatty acid-binding protein, intestinal(Homo sapiens (Human))
Monash University

LigandPNGBDBM50085041(2-(4-(3-(4-acetyl-3-hydroxy-2-propylphenoxy)propox...)
Affinity DataKd:  7.20E+3nMpH: 8.0 T: 2°CAssay Description:ITC experiments were carried out using an iTC200 microcalorimeter (MicroCal) with coin shaped sample cell (200 μL) at 37 C with stirring at 1000...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50085041(2-(4-(3-(4-acetyl-3-hydroxy-2-propylphenoxy)propox...)
Affinity DataEC50:  50nMAssay Description:Agonist activity at PPARdelta (unknown origin)More data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor delta(Mus musculus)
Glaxo Wellcome Research & Development

Curated by ChEMBL
LigandPNGBDBM50085041(2-(4-(3-(4-acetyl-3-hydroxy-2-propylphenoxy)propox...)
Affinity DataEC50:  3.80E+3nMAssay Description:Agonist activity for murine PPAR delta receptor in transcriptional activation assayMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Mus musculus)
Glaxo Wellcome Research & Development

Curated by ChEMBL
LigandPNGBDBM50085041(2-(4-(3-(4-acetyl-3-hydroxy-2-propylphenoxy)propox...)
Affinity DataEC50:  1.00E+4nMAssay Description:Agonist activity for murine PPAR gamma receptor in transcriptional activation assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50085041(2-(4-(3-(4-acetyl-3-hydroxy-2-propylphenoxy)propox...)
Affinity DataEC50:  530nMAssay Description:Agonist activity for Human PPAR delta receptor in transcriptional activation assayMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor alpha(Homo sapiens (Human))
Glaxo Wellcome Research & Development

Curated by ChEMBL
LigandPNGBDBM50085041(2-(4-(3-(4-acetyl-3-hydroxy-2-propylphenoxy)propox...)
Affinity DataEC50:  1.00E+4nMAssay Description:Agonist activity for Human PPAR alpha receptor in transcriptional activation assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50085041(2-(4-(3-(4-acetyl-3-hydroxy-2-propylphenoxy)propox...)
Affinity DataEC50:  21nMAssay Description:Agonist activity at human GAL4-PPARdelta ligand binding domain expressed in human HepG2 cells by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor alpha(Homo sapiens (Human))
Glaxo Wellcome Research & Development

Curated by ChEMBL
LigandPNGBDBM50085041(2-(4-(3-(4-acetyl-3-hydroxy-2-propylphenoxy)propox...)
Affinity DataEC50:  977nMAssay Description:Activity at PPARalpha by luciferase reporter gene transactivation assay in COS7 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Université

Curated by ChEMBL
LigandPNGBDBM50085041(2-(4-(3-(4-acetyl-3-hydroxy-2-propylphenoxy)propox...)
Affinity DataEC50:  1.82E+3nMAssay Description:Activity at PPARgamma by luciferase reporter gene transactivation assay in COS7 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50085041(2-(4-(3-(4-acetyl-3-hydroxy-2-propylphenoxy)propox...)
Affinity DataEC50:  125nMAssay Description:Activity at PPARbeta/delta by luciferase reporter gene transactivation assay in COS7 cellsMore data for this Ligand-Target Pair
LigandPNGBDBM50085041(2-(4-(3-(4-acetyl-3-hydroxy-2-propylphenoxy)propox...)
Affinity DataEC50:  39nMAssay Description:Transactivation of human PPARdelta expressed in African green monkey COS7 cells incubated overnight by dual-glo luciferase reporter gene assayMore data for this Ligand-Target Pair
LigandPNGBDBM50085041(2-(4-(3-(4-acetyl-3-hydroxy-2-propylphenoxy)propox...)
Affinity DataEC50:  650nMAssay Description:Transactivation of GAL4-fused PPARbeta (delta) ligand binding domain transfected in human HepG2 cells after 20 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
LigandPNGBDBM50085041(2-(4-(3-(4-acetyl-3-hydroxy-2-propylphenoxy)propox...)
Affinity DataEC50:  21nMAssay Description:Agonist activity at human GAL4-fused PPARdelta ligand binding domain expressed in COS-1 cells after 20 hrs by luciferase reporter gene transactivatio...More data for this Ligand-Target Pair
LigandPNGBDBM50085041(2-(4-(3-(4-acetyl-3-hydroxy-2-propylphenoxy)propox...)
Affinity DataEC50:  39nMAssay Description:Transactivation of GAL4-fused human PPARdelta ligand binding domain transfected in african green monkey COS7 cells by luciferase reporter gene assayMore data for this Ligand-Target Pair
LigandPNGBDBM50085041(2-(4-(3-(4-acetyl-3-hydroxy-2-propylphenoxy)propox...)
Affinity DataEC50:  640nMAssay Description:Transactivation of GAL4-fused PPARbeta LBD expressed in HepG2 cells after 20 hrs by luminescence assayMore data for this Ligand-Target Pair
LigandPNGBDBM50085041(2-(4-(3-(4-acetyl-3-hydroxy-2-propylphenoxy)propox...)
Affinity DataKon:  0.430M-1s-1Assay Description:Binding affinity to PPARdelta (unknown origin) assessed as kinetic dissociation constant by SPR assayMore data for this Ligand-Target Pair
LigandPNGBDBM50085041(2-(4-(3-(4-acetyl-3-hydroxy-2-propylphenoxy)propox...)
Affinity DataEC50:  20nMAssay Description:Inhibition of FTase-catalyzed incorporation of [3H]- FPP radioligand into recombinant Ha-Ras by 50% at an enzyme concentration of 1 nM.More data for this Ligand-Target Pair
LigandPNGBDBM50085041(2-(4-(3-(4-acetyl-3-hydroxy-2-propylphenoxy)propox...)
Affinity DataKd:  76nMAssay Description:Inhibition of FTase-catalyzed incorporation of [3H]- FPP radioligand into recombinant Ha-Ras by 50% at an enzyme concentration of 1 nM.More data for this Ligand-Target Pair
LigandPNGBDBM50085041(2-(4-(3-(4-acetyl-3-hydroxy-2-propylphenoxy)propox...)
Affinity DataIC50:  13nMAssay Description:Agonist activity at GAL4 DNA-binding domain fused PPARdelta receptor (unknown origin) ligand binding domain expressed in UAS-bla HEK 293T cells asses...More data for this Ligand-Target Pair
LigandPNGBDBM50085041(2-(4-(3-(4-acetyl-3-hydroxy-2-propylphenoxy)propox...)
Affinity DataEC50:  61nMAssay Description:Agonist activity at PPARbeta (unknown origin) incubated for 3 to 16 hrs by pathhunter nuclear hormone receptor assayMore data for this Ligand-Target Pair
LigandPNGBDBM50085041(2-(4-(3-(4-acetyl-3-hydroxy-2-propylphenoxy)propox...)
Affinity DataEC50:  210nMAssay Description:Transactivation of GAL4-tagged human PPARdelta LBD expressed in human HepG2 cells at 100 nM to 100 uM incubated for 20 to 22 hrs by luciferase report...More data for this Ligand-Target Pair
LigandPNGBDBM50085041(2-(4-(3-(4-acetyl-3-hydroxy-2-propylphenoxy)propox...)
Affinity DataEC50:  21nMAssay Description:Agonist activity at yeast Gal4-fused human PPARdelta transfected in human HepG2 cells assessed as transactivation by measuring beta-galactosidase act...More data for this Ligand-Target Pair
LigandPNGBDBM50085041(2-(4-(3-(4-acetyl-3-hydroxy-2-propylphenoxy)propox...)
Affinity DataEC50:  6nMAssay Description:Agonist activity at human PPAR-delta expressed in CHO-K1 cells by PathHunter assayMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Université

Curated by ChEMBL
LigandPNGBDBM50085041(2-(4-(3-(4-acetyl-3-hydroxy-2-propylphenoxy)propox...)
Affinity DataEC50:  5.50E+3nMAssay Description:Agonist activity for Human PPAR gamma receptor in transcriptional activation assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 50085041   

CellIntestinal fatty acid-binding protein (hIFABP)(Homo sapiens (Human))
Monash University

SyringePNGBDBM50085041(2-(4-(3-(4-acetyl-3-hydroxy-2-propylphenoxy)propox...)
ITC DataΔG°: -7.31kcal/mole −TΔS°: 2.91kcal/mole ΔH°: -10.2kcal/mole logk: 1.42E+5
pH: 8.0 T: 37.00°C 
In DepthDetails ArticlePubMed