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SMILES: CC(C)OC(Cc1ccc(OCc2noc(n2)-c2ccc(Br)cc2)cc1)C(O)=O

InChI Key: InChIKey=MIXWSSHLXAJWQP-UHFFFAOYSA-N

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50103947   
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))
BDBM50103947
PNG
(3-(4-((5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl)meth...)
Show SMILES CC(C)OC(Cc1ccc(OCc2noc(n2)-c2ccc(Br)cc2)cc1)C(O)=O
Show InChI InChI=1S/C21H21BrN2O5/c1-13(2)28-18(21(25)26)11-14-3-9-17(10-4-14)27-12-19-23-20(29-24-19)15-5-7-16(22)8-6-15/h3-10,13,18H,11-12H2,1-2H3,(H,25,26)
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n/an/an/an/a 40n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity against human Peroxisome proliferator activated receptor alpha receptor in CV-1 cell was determined


Bioorg Med Chem Lett 11: 2385-8 (2001)


BindingDB Entry DOI: 10.7270/Q2CJ8CSF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50103947
PNG
(3-(4-((5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl)meth...)
Show SMILES CC(C)OC(Cc1ccc(OCc2noc(n2)-c2ccc(Br)cc2)cc1)C(O)=O
Show InChI InChI=1S/C21H21BrN2O5/c1-13(2)28-18(21(25)26)11-14-3-9-17(10-4-14)27-12-19-23-20(29-24-19)15-5-7-16(22)8-6-15/h3-10,13,18H,11-12H2,1-2H3,(H,25,26)
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n/an/an/an/a 790n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity against human PPAR delta receptor in CV-1 cell was determined


Bioorg Med Chem Lett 11: 2385-8 (2001)


BindingDB Entry DOI: 10.7270/Q2CJ8CSF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50103947
PNG
(3-(4-((5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl)meth...)
Show SMILES CC(C)OC(Cc1ccc(OCc2noc(n2)-c2ccc(Br)cc2)cc1)C(O)=O
Show InChI InChI=1S/C21H21BrN2O5/c1-13(2)28-18(21(25)26)11-14-3-9-17(10-4-14)27-12-19-23-20(29-24-19)15-5-7-16(22)8-6-15/h3-10,13,18H,11-12H2,1-2H3,(H,25,26)
PDB
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n/an/an/an/a 32n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity against human Peroxisome proliferator activated receptor gamma receptor in CV-1 cell was determined


Bioorg Med Chem Lett 11: 2385-8 (2001)


BindingDB Entry DOI: 10.7270/Q2CJ8CSF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50103947
PNG
(3-(4-((5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl)meth...)
Show SMILES CC(C)OC(Cc1ccc(OCc2noc(n2)-c2ccc(Br)cc2)cc1)C(O)=O
Show InChI InChI=1S/C21H21BrN2O5/c1-13(2)28-18(21(25)26)11-14-3-9-17(10-4-14)27-12-19-23-20(29-24-19)15-5-7-16(22)8-6-15/h3-10,13,18H,11-12H2,1-2H3,(H,25,26)
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Article
n/an/an/an/a 2.50E+7n/an/an/an/a


TBA

Assay Description
Agonist activity at PPARalpha (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-004-0110-y
BindingDB Entry DOI: 10.7270/Q2DJ5JH3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50103947
PNG
(3-(4-((5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl)meth...)
Show SMILES CC(C)OC(Cc1ccc(OCc2noc(n2)-c2ccc(Br)cc2)cc1)C(O)=O
Show InChI InChI=1S/C21H21BrN2O5/c1-13(2)28-18(21(25)26)11-14-3-9-17(10-4-14)27-12-19-23-20(29-24-19)15-5-7-16(22)8-6-15/h3-10,13,18H,11-12H2,1-2H3,(H,25,26)
PDB
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Article
PubMed
n/an/an/an/a 32n/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in african green monkey CV1 cells cotransfected with Gal4 assessed as reporter activty by transient tra...


Eur J Med Chem 43: 2784-91 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.017
BindingDB Entry DOI: 10.7270/Q2W095QK
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50103947
PNG
(3-(4-((5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl)meth...)
Show SMILES CC(C)OC(Cc1ccc(OCc2noc(n2)-c2ccc(Br)cc2)cc1)C(O)=O
Show InChI InChI=1S/C21H21BrN2O5/c1-13(2)28-18(21(25)26)11-14-3-9-17(10-4-14)27-12-19-23-20(29-24-19)15-5-7-16(22)8-6-15/h3-10,13,18H,11-12H2,1-2H3,(H,25,26)
PDB

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antibodypedia
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PC sid
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Article
PubMed
n/an/an/an/a 790n/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta expressed in african green monkey CV1 cells cotransfected with Gal4 assessed as reporter activty by transient tra...


Eur J Med Chem 43: 2784-91 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.017
BindingDB Entry DOI: 10.7270/Q2W095QK
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50103947
PNG
(3-(4-((5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl)meth...)
Show SMILES CC(C)OC(Cc1ccc(OCc2noc(n2)-c2ccc(Br)cc2)cc1)C(O)=O
Show InChI InChI=1S/C21H21BrN2O5/c1-13(2)28-18(21(25)26)11-14-3-9-17(10-4-14)27-12-19-23-20(29-24-19)15-5-7-16(22)8-6-15/h3-10,13,18H,11-12H2,1-2H3,(H,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 40n/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha expressed in african green monkey CV1 cells cotransfected with Gal4 assessed as reporter activty by transient tra...


Eur J Med Chem 43: 2784-91 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.017
BindingDB Entry DOI: 10.7270/Q2W095QK
More data for this
Ligand-Target Pair