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BDBM50184652 CHEMBL210469::[4-(4,4''-Bis-trifluoromethyl-[1,1';3',1'']terphenyl-5'-ylmethoxy)-2-methyl-phenoxy]-acetic acid

SMILES: Cc1cc(OCc2cc(cc(c2)-c2ccc(cc2)C(F)(F)F)-c2ccc(cc2)C(F)(F)F)ccc1OCC(O)=O

InChI Key: InChIKey=ZKICTBITKAPJOB-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50184652   
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))
BDBM50184652
PNG
(CHEMBL210469 | [4-(4,4''-Bis-trifluoromethyl-[1,1'...)
Show SMILES Cc1cc(OCc2cc(cc(c2)-c2ccc(cc2)C(F)(F)F)-c2ccc(cc2)C(F)(F)F)ccc1OCC(O)=O
Show InChI InChI=1S/C30H22F6O4/c1-18-12-26(10-11-27(18)40-17-28(37)38)39-16-19-13-22(20-2-6-24(7-3-20)29(31,32)33)15-23(14-19)21-4-8-25(9-5-21)30(34,35)36/h2-15H,16-17H2,1H3,(H,37,38)
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Article
PubMed
n/an/an/an/a 3.33E+3n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Effect on human PPARalpha transactivation in 293T cells


Bioorg Med Chem Lett 16: 2969-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.079
BindingDB Entry DOI: 10.7270/Q2XW4JDG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50184652
PNG
(CHEMBL210469 | [4-(4,4''-Bis-trifluoromethyl-[1,1'...)
Show SMILES Cc1cc(OCc2cc(cc(c2)-c2ccc(cc2)C(F)(F)F)-c2ccc(cc2)C(F)(F)F)ccc1OCC(O)=O
Show InChI InChI=1S/C30H22F6O4/c1-18-12-26(10-11-27(18)40-17-28(37)38)39-16-19-13-22(20-2-6-24(7-3-20)29(31,32)33)15-23(14-19)21-4-8-25(9-5-21)30(34,35)36/h2-15H,16-17H2,1H3,(H,37,38)
PDB

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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 10n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Effect on human PPARdelta transactivation in 293T cells


Bioorg Med Chem Lett 16: 2969-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.079
BindingDB Entry DOI: 10.7270/Q2XW4JDG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50184652
PNG
(CHEMBL210469 | [4-(4,4''-Bis-trifluoromethyl-[1,1'...)
Show SMILES Cc1cc(OCc2cc(cc(c2)-c2ccc(cc2)C(F)(F)F)-c2ccc(cc2)C(F)(F)F)ccc1OCC(O)=O
Show InChI InChI=1S/C30H22F6O4/c1-18-12-26(10-11-27(18)40-17-28(37)38)39-16-19-13-22(20-2-6-24(7-3-20)29(31,32)33)15-23(14-19)21-4-8-25(9-5-21)30(34,35)36/h2-15H,16-17H2,1H3,(H,37,38)
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 10n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta ligand binding domain expressed in human 293T cells cotransfected with Gal4-DBD by luciferase transactivation ass...


J Med Chem 53: 77-105 (2010)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50184652
PNG
(CHEMBL210469 | [4-(4,4''-Bis-trifluoromethyl-[1,1'...)
Show SMILES Cc1cc(OCc2cc(cc(c2)-c2ccc(cc2)C(F)(F)F)-c2ccc(cc2)C(F)(F)F)ccc1OCC(O)=O
Show InChI InChI=1S/C30H22F6O4/c1-18-12-26(10-11-27(18)40-17-28(37)38)39-16-19-13-22(20-2-6-24(7-3-20)29(31,32)33)15-23(14-19)21-4-8-25(9-5-21)30(34,35)36/h2-15H,16-17H2,1H3,(H,37,38)
PDB

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha ligand binding domain expressed in human 293T cells cotransfected with Gal4-DBD by luciferase transactivation ass...


J Med Chem 53: 77-105 (2010)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50184652
PNG
(CHEMBL210469 | [4-(4,4''-Bis-trifluoromethyl-[1,1'...)
Show SMILES Cc1cc(OCc2cc(cc(c2)-c2ccc(cc2)C(F)(F)F)-c2ccc(cc2)C(F)(F)F)ccc1OCC(O)=O
Show InChI InChI=1S/C30H22F6O4/c1-18-12-26(10-11-27(18)40-17-28(37)38)39-16-19-13-22(20-2-6-24(7-3-20)29(31,32)33)15-23(14-19)21-4-8-25(9-5-21)30(34,35)36/h2-15H,16-17H2,1H3,(H,37,38)
PDB
MMDB

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KEGG

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UniChem

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Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in human 293T cells cotransfected with Gal4-DBD by luciferase transactivation ass...


J Med Chem 53: 77-105 (2010)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50184652
PNG
(CHEMBL210469 | [4-(4,4''-Bis-trifluoromethyl-[1,1'...)
Show SMILES Cc1cc(OCc2cc(cc(c2)-c2ccc(cc2)C(F)(F)F)-c2ccc(cc2)C(F)(F)F)ccc1OCC(O)=O
Show InChI InChI=1S/C30H22F6O4/c1-18-12-26(10-11-27(18)40-17-28(37)38)39-16-19-13-22(20-2-6-24(7-3-20)29(31,32)33)15-23(14-19)21-4-8-25(9-5-21)30(34,35)36/h2-15H,16-17H2,1H3,(H,37,38)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Effect on human PPARgamma transactivation in 293T cells


Bioorg Med Chem Lett 16: 2969-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.079
BindingDB Entry DOI: 10.7270/Q2XW4JDG
More data for this
Ligand-Target Pair