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BDBM50122341 (S)-3-[4-((E)-3-Biphenyl-4-yl-3-phenyl-allyloxy)-phenyl]-2-ethoxy-propionic acid::CHEMBL420973

SMILES: CCO[C@@H](Cc1ccc(OC\C=C(/c2ccccc2)c2ccc(cc2)-c2ccccc2)cc1)C(O)=O

InChI Key: InChIKey=IILKLIPGEXMTPN-CJFFBLHWSA-N

Data: 7 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 7 hits for monomerid = 50122341   
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))
BDBM50122341
PNG
((S)-3-[4-((E)-3-Biphenyl-4-yl-3-phenyl-allyloxy)-p...)
Show SMILES CCO[C@@H](Cc1ccc(OC\C=C(/c2ccccc2)c2ccc(cc2)-c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C32H30O4/c1-2-35-31(32(33)34)23-24-13-19-29(20-14-24)36-22-21-30(27-11-7-4-8-12-27)28-17-15-26(16-18-28)25-9-5-3-6-10-25/h3-21,31H,2,22-23H2,1H3,(H,33,34)/b30-21+/t31-/m0/s1
PDB

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antibodypedia
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CHEMBL
PC cid
PC sid
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Article
n/an/an/an/a 900n/an/an/an/a


TBA

Assay Description
Transactivation of GAL4-fused Homo sapiens (human) PPARalpha DNA binding domain expressed in African green monkey CV1 cells by luciferase reporter ge...


Citation and Details

Article DOI: 10.1007/s00044-012-0003-4
BindingDB Entry DOI: 10.7270/Q280544F
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50122341
PNG
((S)-3-[4-((E)-3-Biphenyl-4-yl-3-phenyl-allyloxy)-p...)
Show SMILES CCO[C@@H](Cc1ccc(OC\C=C(/c2ccccc2)c2ccc(cc2)-c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C32H30O4/c1-2-35-31(32(33)34)23-24-13-19-29(20-14-24)36-22-21-30(27-11-7-4-8-12-27)28-17-15-26(16-18-28)25-9-5-3-6-10-25/h3-21,31H,2,22-23H2,1H3,(H,33,34)/b30-21+/t31-/m0/s1
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PC sid
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Article
n/an/an/an/a 600n/an/an/an/a


TBA

Assay Description
Transactivation of GAL4-fused Homo sapiens (human) PPARgamma DNA binding domain expressed in African green monkey CV1 cells by luciferase reporter ge...


Citation and Details

Article DOI: 10.1007/s00044-012-0003-4
BindingDB Entry DOI: 10.7270/Q280544F
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50122341
PNG
((S)-3-[4-((E)-3-Biphenyl-4-yl-3-phenyl-allyloxy)-p...)
Show SMILES CCO[C@@H](Cc1ccc(OC\C=C(/c2ccccc2)c2ccc(cc2)-c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C32H30O4/c1-2-35-31(32(33)34)23-24-13-19-29(20-14-24)36-22-21-30(27-11-7-4-8-12-27)28-17-15-26(16-18-28)25-9-5-3-6-10-25/h3-21,31H,2,22-23H2,1H3,(H,33,34)/b30-21+/t31-/m0/s1
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Article
n/an/an/an/a 600n/an/an/an/a


TBA

Assay Description
Transactivation of GAL4-fused Homo sapiens (human) PPARgamma DNA binding domain expressed in African green monkey CV1 cells by luciferase reporter ge...


Citation and Details

Article DOI: 10.1007/s00044-012-0003-4
BindingDB Entry DOI: 10.7270/Q280544F
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50122341
PNG
((S)-3-[4-((E)-3-Biphenyl-4-yl-3-phenyl-allyloxy)-p...)
Show SMILES CCO[C@@H](Cc1ccc(OC\C=C(/c2ccccc2)c2ccc(cc2)-c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C32H30O4/c1-2-35-31(32(33)34)23-24-13-19-29(20-14-24)36-22-21-30(27-11-7-4-8-12-27)28-17-15-26(16-18-28)25-9-5-3-6-10-25/h3-21,31H,2,22-23H2,1H3,(H,33,34)/b30-21+/t31-/m0/s1
PDB

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PubMed
n/an/an/an/a 2.20E+3n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro activation of human peroxisome proliferator activated receptor delta (PPAR delta)


Bioorg Med Chem Lett 13: 257-60 (2002)


BindingDB Entry DOI: 10.7270/Q2FF3RQS
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50122341
PNG
((S)-3-[4-((E)-3-Biphenyl-4-yl-3-phenyl-allyloxy)-p...)
Show SMILES CCO[C@@H](Cc1ccc(OC\C=C(/c2ccccc2)c2ccc(cc2)-c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C32H30O4/c1-2-35-31(32(33)34)23-24-13-19-29(20-14-24)36-22-21-30(27-11-7-4-8-12-27)28-17-15-26(16-18-28)25-9-5-3-6-10-25/h3-21,31H,2,22-23H2,1H3,(H,33,34)/b30-21+/t31-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 900n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro activation of human peroxisome proliferator activated receptor alpha


Bioorg Med Chem Lett 13: 257-60 (2002)


BindingDB Entry DOI: 10.7270/Q2FF3RQS
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50122341
PNG
((S)-3-[4-((E)-3-Biphenyl-4-yl-3-phenyl-allyloxy)-p...)
Show SMILES CCO[C@@H](Cc1ccc(OC\C=C(/c2ccccc2)c2ccc(cc2)-c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C32H30O4/c1-2-35-31(32(33)34)23-24-13-19-29(20-14-24)36-22-21-30(27-11-7-4-8-12-27)28-17-15-26(16-18-28)25-9-5-3-6-10-25/h3-21,31H,2,22-23H2,1H3,(H,33,34)/b30-21+/t31-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 600n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro activation of human peroxisome proliferator activated receptor gamma (PPAR gamma)


Bioorg Med Chem Lett 13: 257-60 (2002)


BindingDB Entry DOI: 10.7270/Q2FF3RQS
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50122341
PNG
((S)-3-[4-((E)-3-Biphenyl-4-yl-3-phenyl-allyloxy)-p...)
Show SMILES CCO[C@@H](Cc1ccc(OC\C=C(/c2ccccc2)c2ccc(cc2)-c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C32H30O4/c1-2-35-31(32(33)34)23-24-13-19-29(20-14-24)36-22-21-30(27-11-7-4-8-12-27)28-17-15-26(16-18-28)25-9-5-3-6-10-25/h3-21,31H,2,22-23H2,1H3,(H,33,34)/b30-21+/t31-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/an/an/a 900n/an/an/an/a


TBA

Assay Description
Transactivation of GAL4-fused Homo sapiens (human) PPARalpha DNA binding domain expressed in African green monkey CV1 cells by luciferase reporter ge...


Citation and Details

Article DOI: 10.1007/s00044-012-0003-4
BindingDB Entry DOI: 10.7270/Q280544F
More data for this
Ligand-Target Pair