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BDBM50199783 3-(4-((R)-3-(4-ethyl-2-(pyridin-3-yl)phenoxy)butoxy)-2-methylphenyl)propanoic acid::CHEMBL241472

SMILES: CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)-c1cccnc1

InChI Key: InChIKey=QNTSQSFJMIOVQR-HXUWFJFHSA-N

Data: 2 IC50  3 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50199783   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50199783
PNG
(3-(4-((R)-3-(4-ethyl-2-(pyridin-3-yl)phenoxy)butox...)
Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)-c1cccnc1
Show InChI InChI=1S/C27H31NO4/c1-4-21-7-11-26(25(17-21)23-6-5-14-28-18-23)32-20(3)13-15-31-24-10-8-22(19(2)16-24)9-12-27(29)30/h5-8,10-11,14,16-18,20H,4,9,12-13,15H2,1-3H3,(H,29,30)/t20-/m1/s1
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PC sid
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Article
PubMed
n/an/an/an/a 15n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human Gal4-PPARdelta expressed in CV1 cells by transactivation assay


Bioorg Med Chem Lett 17: 1052-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.029
BindingDB Entry DOI: 10.7270/Q2BP02F8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50199783
PNG
(3-(4-((R)-3-(4-ethyl-2-(pyridin-3-yl)phenoxy)butox...)
Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)-c1cccnc1
Show InChI InChI=1S/C27H31NO4/c1-4-21-7-11-26(25(17-21)23-6-5-14-28-18-23)32-20(3)13-15-31-24-10-8-22(19(2)16-24)9-12-27(29)30/h5-8,10-11,14,16-18,20H,4,9,12-13,15H2,1-3H3,(H,29,30)/t20-/m1/s1
PDB
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KEGG

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PC sid
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Article
PubMed
n/an/an/an/a 140n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma in CV1 cells by transactivation assay


Bioorg Med Chem Lett 17: 1052-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.029
BindingDB Entry DOI: 10.7270/Q2BP02F8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50199783
PNG
(3-(4-((R)-3-(4-ethyl-2-(pyridin-3-yl)phenoxy)butox...)
Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)-c1cccnc1
Show InChI InChI=1S/C27H31NO4/c1-4-21-7-11-26(25(17-21)23-6-5-14-28-18-23)32-20(3)13-15-31-24-10-8-22(19(2)16-24)9-12-27(29)30/h5-8,10-11,14,16-18,20H,4,9,12-13,15H2,1-3H3,(H,29,30)/t20-/m1/s1
PDB
MMDB

NCI pathway
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KEGG

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CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]2-methyl-2-(4-{3-[porpyl-(5-pyridin-2yl-thiophene-2-sulfonyl)-amino]-propyl}-phenoxy)-propionic acid from human PPARgamma


Bioorg Med Chem Lett 17: 1052-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.029
BindingDB Entry DOI: 10.7270/Q2BP02F8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50199783
PNG
(3-(4-((R)-3-(4-ethyl-2-(pyridin-3-yl)phenoxy)butox...)
Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)-c1cccnc1
Show InChI InChI=1S/C27H31NO4/c1-4-21-7-11-26(25(17-21)23-6-5-14-28-18-23)32-20(3)13-15-31-24-10-8-22(19(2)16-24)9-12-27(29)30/h5-8,10-11,14,16-18,20H,4,9,12-13,15H2,1-3H3,(H,29,30)/t20-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl butyric acid from human PPARdelta


Bioorg Med Chem Lett 17: 1052-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.029
BindingDB Entry DOI: 10.7270/Q2BP02F8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50199783
PNG
(3-(4-((R)-3-(4-ethyl-2-(pyridin-3-yl)phenoxy)butox...)
Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)-c1cccnc1
Show InChI InChI=1S/C27H31NO4/c1-4-21-7-11-26(25(17-21)23-6-5-14-28-18-23)32-20(3)13-15-31-24-10-8-22(19(2)16-24)9-12-27(29)30/h5-8,10-11,14,16-18,20H,4,9,12-13,15H2,1-3H3,(H,29,30)/t20-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 2.90E+3n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human Gal4-PPARalpha expressed in CV1 cells by transactivation assay


Bioorg Med Chem Lett 17: 1052-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.029
BindingDB Entry DOI: 10.7270/Q2BP02F8
More data for this
Ligand-Target Pair