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BDBM50122344 (S)-3-{4-[3,3-Bis-(4-methoxy-phenyl)-allyloxy]-phenyl}-2-ethoxy-propionic acid::CHEMBL328099

SMILES: [#6]-[#6]-[#8]-[#6@@H](-[#6]-c1ccc(-[#8]-[#6]\[#6]=[#6](/c2ccc(-[#8]-[#6])cc2)-c2ccc(-[#8]-[#6])cc2)cc1)-[#6](-[#8])=O

InChI Key: InChIKey=QAXXXYINXOAMIX-MHZLTWQESA-N

Data: 9 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 = 50122344   
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))
BDBM50122344
PNG
((S)-3-{4-[3,3-Bis-(4-methoxy-phenyl)-allyloxy]-phe...)
Show SMILES CCO[C@@H](Cc1ccc(OCC=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1)C(O)=O
Show InChI InChI=1S/C28H30O6/c1-4-33-27(28(29)30)19-20-5-11-25(12-6-20)34-18-17-26(21-7-13-23(31-2)14-8-21)22-9-15-24(32-3)16-10-22/h5-17,27H,4,18-19H2,1-3H3,(H,29,30)/t27-/m0/s1
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Article
n/an/an/an/a 2.20E+3n/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


(Homo sapiens (Human))
BDBM50122344
PNG
((S)-3-{4-[3,3-Bis-(4-methoxy-phenyl)-allyloxy]-phe...)
Show SMILES CCO[C@@H](Cc1ccc(OCC=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1)C(O)=O
Show InChI InChI=1S/C28H30O6/c1-4-33-27(28(29)30)19-20-5-11-25(12-6-20)34-18-17-26(21-7-13-23(31-2)14-8-21)22-9-15-24(32-3)16-10-22/h5-17,27H,4,18-19H2,1-3H3,(H,29,30)/t27-/m0/s1
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Article
n/an/an/an/a 2.20E+3n/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


(Homo sapiens (Human))
BDBM50122344
PNG
((S)-3-{4-[3,3-Bis-(4-methoxy-phenyl)-allyloxy]-phe...)
Show SMILES CCO[C@@H](Cc1ccc(OCC=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1)C(O)=O
Show InChI InChI=1S/C28H30O6/c1-4-33-27(28(29)30)19-20-5-11-25(12-6-20)34-18-17-26(21-7-13-23(31-2)14-8-21)22-9-15-24(32-3)16-10-22/h5-17,27H,4,18-19H2,1-3H3,(H,29,30)/t27-/m0/s1
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Article
n/an/an/an/a 2.20E+3n/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 alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50122344
PNG
((S)-3-{4-[3,3-Bis-(4-methoxy-phenyl)-allyloxy]-phe...)
Show SMILES CCO[C@@H](Cc1ccc(OCC=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1)C(O)=O
Show InChI InChI=1S/C28H30O6/c1-4-33-27(28(29)30)19-20-5-11-25(12-6-20)34-18-17-26(21-7-13-23(31-2)14-8-21)22-9-15-24(32-3)16-10-22/h5-17,27H,4,18-19H2,1-3H3,(H,29,30)/t27-/m0/s1
PDB

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GoogleScholar
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PC cid
PC sid
UniChem

Patents


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


(Homo sapiens (Human))
BDBM50122344
PNG
((S)-3-{4-[3,3-Bis-(4-methoxy-phenyl)-allyloxy]-phe...)
Show SMILES CCO[C@@H](Cc1ccc(OCC=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1)C(O)=O
Show InChI InChI=1S/C28H30O6/c1-4-33-27(28(29)30)19-20-5-11-25(12-6-20)34-18-17-26(21-7-13-23(31-2)14-8-21)22-9-15-24(32-3)16-10-22/h5-17,27H,4,18-19H2,1-3H3,(H,29,30)/t27-/m0/s1
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n/an/an/an/a 2.19E+3n/an/an/an/a


TBA

Assay Description
Transactivation of Homo sapiens (human) PPARgamma assessed as luciferase activity by reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50122344
PNG
((S)-3-{4-[3,3-Bis-(4-methoxy-phenyl)-allyloxy]-phe...)
Show SMILES CCO[C@@H](Cc1ccc(OCC=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1)C(O)=O
Show InChI InChI=1S/C28H30O6/c1-4-33-27(28(29)30)19-20-5-11-25(12-6-20)34-18-17-26(21-7-13-23(31-2)14-8-21)22-9-15-24(32-3)16-10-22/h5-17,27H,4,18-19H2,1-3H3,(H,29,30)/t27-/m0/s1
PDB

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PC sid
UniChem

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Article
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 alpha


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


Article DOI: 10.1016/s0960-894x(02)00881-8
BindingDB Entry DOI: 10.7270/Q2FF3RQS
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50122344
PNG
((S)-3-{4-[3,3-Bis-(4-methoxy-phenyl)-allyloxy]-phe...)
Show SMILES CCO[C@@H](Cc1ccc(OCC=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1)C(O)=O
Show InChI InChI=1S/C28H30O6/c1-4-33-27(28(29)30)19-20-5-11-25(12-6-20)34-18-17-26(21-7-13-23(31-2)14-8-21)22-9-15-24(32-3)16-10-22/h5-17,27H,4,18-19H2,1-3H3,(H,29,30)/t27-/m0/s1
PDB
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PC sid
UniChem

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Article
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 gamma (PPAR gamma)


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


Article DOI: 10.1016/s0960-894x(02)00881-8
BindingDB Entry DOI: 10.7270/Q2FF3RQS
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50122344
PNG
((S)-3-{4-[3,3-Bis-(4-methoxy-phenyl)-allyloxy]-phe...)
Show SMILES CCO[C@@H](Cc1ccc(OCC=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1)C(O)=O
Show InChI InChI=1S/C28H30O6/c1-4-33-27(28(29)30)19-20-5-11-25(12-6-20)34-18-17-26(21-7-13-23(31-2)14-8-21)22-9-15-24(32-3)16-10-22/h5-17,27H,4,18-19H2,1-3H3,(H,29,30)/t27-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

n/an/an/an/a 2.19E+3n/an/an/an/a


TBA

Assay Description
Transactivation of Homo sapiens (human) PPARalpha assessed as luciferase activity by reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50122344
PNG
((S)-3-{4-[3,3-Bis-(4-methoxy-phenyl)-allyloxy]-phe...)
Show SMILES CCO[C@@H](Cc1ccc(OCC=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1)C(O)=O
Show InChI InChI=1S/C28H30O6/c1-4-33-27(28(29)30)19-20-5-11-25(12-6-20)34-18-17-26(21-7-13-23(31-2)14-8-21)22-9-15-24(32-3)16-10-22/h5-17,27H,4,18-19H2,1-3H3,(H,29,30)/t27-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 700n/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)


Article DOI: 10.1016/s0960-894x(02)00881-8
BindingDB Entry DOI: 10.7270/Q2FF3RQS
More data for this
Ligand-Target Pair