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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 50127925   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50127925
PNG
(5-{3-Methyl-4-[3-(4-phenoxy-2-propyl-phenoxy)-prop...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(cc1C)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H29NO5S/c1-3-8-20-18-23(34-22-9-5-4-6-10-22)12-14-25(20)33-16-7-15-32-24-13-11-21(17-19(24)2)26-27(30)29-28(31)35-26/h4-6,9-14,17-18,30H,3,7-8,15-16H2,1-2H3,(H,29,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 6.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPAR alpha (peroxisome proliferator-activated alpha receptor)


Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50127925
PNG
(5-{3-Methyl-4-[3-(4-phenoxy-2-propyl-phenoxy)-prop...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(cc1C)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H29NO5S/c1-3-8-20-18-23(34-22-9-5-4-6-10-22)12-14-25(20)33-16-7-15-32-24-13-11-21(17-19(24)2)26-27(30)29-28(31)35-26/h4-6,9-14,17-18,30H,3,7-8,15-16H2,1-2H3,(H,29,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 6.70E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPAR gamma (peroxisome proliferator-activated gamma receptor)


Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50127925
PNG
(5-{3-Methyl-4-[3-(4-phenoxy-2-propyl-phenoxy)-prop...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(cc1C)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H29NO5S/c1-3-8-20-18-23(34-22-9-5-4-6-10-22)12-14-25(20)33-16-7-15-32-24-13-11-21(17-19(24)2)26-27(30)29-28(31)35-26/h4-6,9-14,17-18,30H,3,7-8,15-16H2,1-2H3,(H,29,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPAR alpha (peroxisome proliferator-activated alpha receptor)


Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair