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BDBM50194635 (R)-3-{4-[3-(4-chloro-2-phenoxy-phenoxy)-butoxy]-2-methyl-phenyl}-propionic acid::CHEMBL214026

SMILES: C[C@H](CCOc1ccc(CCC(O)=O)c(C)c1)Oc1ccc(Cl)cc1Oc1ccccc1

InChI Key: InChIKey=ZARBOTMPCCXOHE-LJQANCHMSA-N

Data: 6 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 9 hits for monomerid = 50194635   
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))
BDBM50194635
PNG
((R)-3-{4-[3-(4-chloro-2-phenoxy-phenoxy)-butoxy]-2...)
Show SMILES C[C@H](CCOc1ccc(CCC(O)=O)c(C)c1)Oc1ccc(Cl)cc1Oc1ccccc1
Show InChI InChI=1S/C26H27ClO5/c1-18-16-23(11-8-20(18)9-13-26(28)29)30-15-14-19(2)31-24-12-10-21(27)17-25(24)32-22-6-4-3-5-7-22/h3-8,10-12,16-17,19H,9,13-15H2,1-2H3,(H,28,29)/t19-/m1/s1
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PubMed
n/an/a 4n/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 by SPA


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50194635
PNG
((R)-3-{4-[3-(4-chloro-2-phenoxy-phenoxy)-butoxy]-2...)
Show SMILES C[C@H](CCOc1ccc(CCC(O)=O)c(C)c1)Oc1ccc(Cl)cc1Oc1ccccc1
Show InChI InChI=1S/C26H27ClO5/c1-18-16-23(11-8-20(18)9-13-26(28)29)30-15-14-19(2)31-24-12-10-21(27)17-25(24)32-22-6-4-3-5-7-22/h3-8,10-12,16-17,19H,9,13-15H2,1-2H3,(H,28,29)/t19-/m1/s1
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Article
PubMed
n/an/an/an/a 52n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation of human PPARgamma in CV1 cells by luciferase reporter gene assay


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50194635
PNG
((R)-3-{4-[3-(4-chloro-2-phenoxy-phenoxy)-butoxy]-2...)
Show SMILES C[C@H](CCOc1ccc(CCC(O)=O)c(C)c1)Oc1ccc(Cl)cc1Oc1ccccc1
Show InChI InChI=1S/C26H27ClO5/c1-18-16-23(11-8-20(18)9-13-26(28)29)30-15-14-19(2)31-24-12-10-21(27)17-25(24)32-22-6-4-3-5-7-22/h3-8,10-12,16-17,19H,9,13-15H2,1-2H3,(H,28,29)/t19-/m1/s1
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Article
PubMed
n/an/an/an/a 2.20E+3n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation of human PPARalpha in CV1 cells by luciferase reporter gene assay


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50194635
PNG
((R)-3-{4-[3-(4-chloro-2-phenoxy-phenoxy)-butoxy]-2...)
Show SMILES C[C@H](CCOc1ccc(CCC(O)=O)c(C)c1)Oc1ccc(Cl)cc1Oc1ccccc1
Show InChI InChI=1S/C26H27ClO5/c1-18-16-23(11-8-20(18)9-13-26(28)29)30-15-14-19(2)31-24-12-10-21(27)17-25(24)32-22-6-4-3-5-7-22/h3-8,10-12,16-17,19H,9,13-15H2,1-2H3,(H,28,29)/t19-/m1/s1
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Article
PubMed
n/an/a 5.30E+3n/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 PPARalpha by SPA


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50194635
PNG
((R)-3-{4-[3-(4-chloro-2-phenoxy-phenoxy)-butoxy]-2...)
Show SMILES C[C@H](CCOc1ccc(CCC(O)=O)c(C)c1)Oc1ccc(Cl)cc1Oc1ccccc1
Show InChI InChI=1S/C26H27ClO5/c1-18-16-23(11-8-20(18)9-13-26(28)29)30-15-14-19(2)31-24-12-10-21(27)17-25(24)32-22-6-4-3-5-7-22/h3-8,10-12,16-17,19H,9,13-15H2,1-2H3,(H,28,29)/t19-/m1/s1
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Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma


Bioorg Med Chem 20: 3523-32 (2012)


Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50194635
PNG
((R)-3-{4-[3-(4-chloro-2-phenoxy-phenoxy)-butoxy]-2...)
Show SMILES C[C@H](CCOc1ccc(CCC(O)=O)c(C)c1)Oc1ccc(Cl)cc1Oc1ccccc1
Show InChI InChI=1S/C26H27ClO5/c1-18-16-23(11-8-20(18)9-13-26(28)29)30-15-14-19(2)31-24-12-10-21(27)17-25(24)32-22-6-4-3-5-7-22/h3-8,10-12,16-17,19H,9,13-15H2,1-2H3,(H,28,29)/t19-/m1/s1
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Article
PubMed
n/an/an/an/a 8n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation of human PPARdelta in CV1 cells by luciferase reporter gene assay


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50194635
PNG
((R)-3-{4-[3-(4-chloro-2-phenoxy-phenoxy)-butoxy]-2...)
Show SMILES C[C@H](CCOc1ccc(CCC(O)=O)c(C)c1)Oc1ccc(Cl)cc1Oc1ccccc1
Show InChI InChI=1S/C26H27ClO5/c1-18-16-23(11-8-20(18)9-13-26(28)29)30-15-14-19(2)31-24-12-10-21(27)17-25(24)32-22-6-4-3-5-7-22/h3-8,10-12,16-17,19H,9,13-15H2,1-2H3,(H,28,29)/t19-/m1/s1
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Article
PubMed
n/an/a 5.31E+3n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARalpha


Bioorg Med Chem 20: 3523-32 (2012)


Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50194635
PNG
((R)-3-{4-[3-(4-chloro-2-phenoxy-phenoxy)-butoxy]-2...)
Show SMILES C[C@H](CCOc1ccc(CCC(O)=O)c(C)c1)Oc1ccc(Cl)cc1Oc1ccccc1
Show InChI InChI=1S/C26H27ClO5/c1-18-16-23(11-8-20(18)9-13-26(28)29)30-15-14-19(2)31-24-12-10-21(27)17-25(24)32-22-6-4-3-5-7-22/h3-8,10-12,16-17,19H,9,13-15H2,1-2H3,(H,28,29)/t19-/m1/s1
PDB

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARdelta


Bioorg Med Chem 20: 3523-32 (2012)


Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50194635
PNG
((R)-3-{4-[3-(4-chloro-2-phenoxy-phenoxy)-butoxy]-2...)
Show SMILES C[C@H](CCOc1ccc(CCC(O)=O)c(C)c1)Oc1ccc(Cl)cc1Oc1ccccc1
Show InChI InChI=1S/C26H27ClO5/c1-18-16-23(11-8-20(18)9-13-26(28)29)30-15-14-19(2)31-24-12-10-21(27)17-25(24)32-22-6-4-3-5-7-22/h3-8,10-12,16-17,19H,9,13-15H2,1-2H3,(H,28,29)/t19-/m1/s1
PDB
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Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair