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BDBM50157061 (S)-3-{4-[3-(Biphenyl-4-yloxy)-propoxy]-phenyl}-2-methoxy-propionic acid::CHEMBL182884

SMILES: CO[C@@H](Cc1ccc(OCCCOc2ccc(cc2)-c2ccccc2)cc1)C(O)=O

InChI Key: InChIKey=CFJFKSKRLAYDHM-DEOSSOPVSA-N

Data: 6 IC50  2 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 8 hits for monomerid = 50157061   
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 (PPAR alpha)


(Homo sapiens (Human))
BDBM50157061
PNG
((S)-3-{4-[3-(Biphenyl-4-yloxy)-propoxy]-phenyl}-2-...)
Show SMILES CO[C@@H](Cc1ccc(OCCCOc2ccc(cc2)-c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C25H26O5/c1-28-24(25(26)27)18-19-8-12-22(13-9-19)29-16-5-17-30-23-14-10-21(11-15-23)20-6-3-2-4-7-20/h2-4,6-15,24H,5,16-18H2,1H3,(H,26,27)/t24-/m0/s1
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Article
PubMed
n/an/a 568n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Mean inhibitory concentration against human peroxisome proliferator activated receptor alpha


Bioorg Med Chem Lett 15: 51-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.042
BindingDB Entry DOI: 10.7270/Q24B30T6
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50157061
PNG
((S)-3-{4-[3-(Biphenyl-4-yloxy)-propoxy]-phenyl}-2-...)
Show SMILES CO[C@@H](Cc1ccc(OCCCOc2ccc(cc2)-c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C25H26O5/c1-28-24(25(26)27)18-19-8-12-22(13-9-19)29-16-5-17-30-23-14-10-21(11-15-23)20-6-3-2-4-7-20/h2-4,6-15,24H,5,16-18H2,1H3,(H,26,27)/t24-/m0/s1
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Article
PubMed
n/an/a 1.39E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Mean inhibitory concentration against human peroxisome proliferator-activated receptor delta


Bioorg Med Chem Lett 15: 51-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.042
BindingDB Entry DOI: 10.7270/Q24B30T6
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50157061
PNG
((S)-3-{4-[3-(Biphenyl-4-yloxy)-propoxy]-phenyl}-2-...)
Show SMILES CO[C@@H](Cc1ccc(OCCCOc2ccc(cc2)-c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C25H26O5/c1-28-24(25(26)27)18-19-8-12-22(13-9-19)29-16-5-17-30-23-14-10-21(11-15-23)20-6-3-2-4-7-20/h2-4,6-15,24H,5,16-18H2,1H3,(H,26,27)/t24-/m0/s1
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Article
PubMed
n/an/a 21n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Mean inhibitory concentration against human peroxisome proliferator-activated receptor gamma


Bioorg Med Chem Lett 15: 51-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.042
BindingDB Entry DOI: 10.7270/Q24B30T6
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50157061
PNG
((S)-3-{4-[3-(Biphenyl-4-yloxy)-propoxy]-phenyl}-2-...)
Show SMILES CO[C@@H](Cc1ccc(OCCCOc2ccc(cc2)-c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C25H26O5/c1-28-24(25(26)27)18-19-8-12-22(13-9-19)29-16-5-17-30-23-14-10-21(11-15-23)20-6-3-2-4-7-20/h2-4,6-15,24H,5,16-18H2,1H3,(H,26,27)/t24-/m0/s1
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n/an/a 21.0n/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 alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50157061
PNG
((S)-3-{4-[3-(Biphenyl-4-yloxy)-propoxy]-phenyl}-2-...)
Show SMILES CO[C@@H](Cc1ccc(OCCCOc2ccc(cc2)-c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C25H26O5/c1-28-24(25(26)27)18-19-8-12-22(13-9-19)29-16-5-17-30-23-14-10-21(11-15-23)20-6-3-2-4-7-20/h2-4,6-15,24H,5,16-18H2,1H3,(H,26,27)/t24-/m0/s1
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PC sid
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Article
PubMed
n/an/an/an/a 1.10E+3n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Mean effective concentration against human peroxisome proliferator activated receptor alpha


Bioorg Med Chem Lett 15: 51-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.042
BindingDB Entry DOI: 10.7270/Q24B30T6
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50157061
PNG
((S)-3-{4-[3-(Biphenyl-4-yloxy)-propoxy]-phenyl}-2-...)
Show SMILES CO[C@@H](Cc1ccc(OCCCOc2ccc(cc2)-c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C25H26O5/c1-28-24(25(26)27)18-19-8-12-22(13-9-19)29-16-5-17-30-23-14-10-21(11-15-23)20-6-3-2-4-7-20/h2-4,6-15,24H,5,16-18H2,1H3,(H,26,27)/t24-/m0/s1
PDB

UniProtKB/SwissProt
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antibodypedia
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CHEMBL
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PC sid
UniChem

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Article
PubMed
n/an/a 568n/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))
BDBM50157061
PNG
((S)-3-{4-[3-(Biphenyl-4-yloxy)-propoxy]-phenyl}-2-...)
Show SMILES CO[C@@H](Cc1ccc(OCCCOc2ccc(cc2)-c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C25H26O5/c1-28-24(25(26)27)18-19-8-12-22(13-9-19)29-16-5-17-30-23-14-10-21(11-15-23)20-6-3-2-4-7-20/h2-4,6-15,24H,5,16-18H2,1H3,(H,26,27)/t24-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.39E+3n/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))
BDBM50157061
PNG
((S)-3-{4-[3-(Biphenyl-4-yloxy)-propoxy]-phenyl}-2-...)
Show SMILES CO[C@@H](Cc1ccc(OCCCOc2ccc(cc2)-c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C25H26O5/c1-28-24(25(26)27)18-19-8-12-22(13-9-19)29-16-5-17-30-23-14-10-21(11-15-23)20-6-3-2-4-7-20/h2-4,6-15,24H,5,16-18H2,1H3,(H,26,27)/t24-/m0/s1
PDB
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NCI pathway
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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 154n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Mean effective concentration against human peroxisome proliferator-activated receptor gamma


Bioorg Med Chem Lett 15: 51-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.042
BindingDB Entry DOI: 10.7270/Q24B30T6
More data for this
Ligand-Target Pair