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SMILES: CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)-c1ccccc1

InChI Key: InChIKey=XWNWLWRJRXDQCE-OAQYLSRUSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50199774   
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 alpha


(Homo sapiens (Human))
BDBM50199774
PNG
(3-{4-[(R)-3-(5-ethyl-biphenyl-2-yloxy)-butoxy]-2-m...)
Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)-c1ccccc1
Show InChI InChI=1S/C28H32O4/c1-4-22-10-14-27(26(19-22)24-8-6-5-7-9-24)32-21(3)16-17-31-25-13-11-23(20(2)18-25)12-15-28(29)30/h5-11,13-14,18-19,21H,4,12,15-17H2,1-3H3,(H,29,30)/t21-/m1/s1
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Article
PubMed
n/an/an/an/a 2.88E+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
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50199774
PNG
(3-{4-[(R)-3-(5-ethyl-biphenyl-2-yloxy)-butoxy]-2-m...)
Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)-c1ccccc1
Show InChI InChI=1S/C28H32O4/c1-4-22-10-14-27(26(19-22)24-8-6-5-7-9-24)32-21(3)16-17-31-25-13-11-23(20(2)18-25)12-15-28(29)30/h5-11,13-14,18-19,21H,4,12,15-17H2,1-3H3,(H,29,30)/t21-/m1/s1
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Article
PubMed
n/an/a 215n/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))
BDBM50199774
PNG
(3-{4-[(R)-3-(5-ethyl-biphenyl-2-yloxy)-butoxy]-2-m...)
Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)-c1ccccc1
Show InChI InChI=1S/C28H32O4/c1-4-22-10-14-27(26(19-22)24-8-6-5-7-9-24)32-21(3)16-17-31-25-13-11-23(20(2)18-25)12-15-28(29)30/h5-11,13-14,18-19,21H,4,12,15-17H2,1-3H3,(H,29,30)/t21-/m1/s1
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Article
PubMed
n/an/an/an/a 6n/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 delta


(Homo sapiens (Human))
BDBM50199774
PNG
(3-{4-[(R)-3-(5-ethyl-biphenyl-2-yloxy)-butoxy]-2-m...)
Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)-c1ccccc1
Show InChI InChI=1S/C28H32O4/c1-4-22-10-14-27(26(19-22)24-8-6-5-7-9-24)32-21(3)16-17-31-25-13-11-23(20(2)18-25)12-15-28(29)30/h5-11,13-14,18-19,21H,4,12,15-17H2,1-3H3,(H,29,30)/t21-/m1/s1
PDB

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antibodypedia
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PC sid
UniChem

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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 gamma


(Homo sapiens (Human))
BDBM50199774
PNG
(3-{4-[(R)-3-(5-ethyl-biphenyl-2-yloxy)-butoxy]-2-m...)
Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)-c1ccccc1
Show InChI InChI=1S/C28H32O4/c1-4-22-10-14-27(26(19-22)24-8-6-5-7-9-24)32-21(3)16-17-31-25-13-11-23(20(2)18-25)12-15-28(29)30/h5-11,13-14,18-19,21H,4,12,15-17H2,1-3H3,(H,29,30)/t21-/m1/s1
PDB
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PC sid
UniChem

Patents


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Article
PubMed
n/an/an/an/a 836n/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