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BDBM50213317 2-(6-(3-((4-(trifluoromethyl)phenoxy)methyl)benzyloxy)benzofuran-3-yl)acetic acid::CHEMBL234799

SMILES: OC(=O)Cc1coc2cc(OCc3cccc(COc4ccc(cc4)C(F)(F)F)c3)ccc12

InChI Key: InChIKey=WUEITGSPHUOFIP-UHFFFAOYSA-N

Data: 6 IC50  1 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 = 50213317   
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


(Homo sapiens (Human))
BDBM50213317
PNG
(2-(6-(3-((4-(trifluoromethyl)phenoxy)methyl)benzyl...)
Show SMILES OC(=O)Cc1coc2cc(OCc3cccc(COc4ccc(cc4)C(F)(F)F)c3)ccc12
Show InChI InChI=1S/C25H19F3O5/c26-25(27,28)19-4-6-20(7-5-19)31-13-16-2-1-3-17(10-16)14-32-21-8-9-22-18(11-24(29)30)15-33-23(22)12-21/h1-10,12,15H,11,13-14H2,(H,29,30)
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Article
PubMed
n/an/a 5.40E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]5-(4-(3-(5-methyl-2-phenyloxazol-4-yl)propanoyl)benzyl)thiazolidine-2,4-dione from human PPARgamma after 2 hrs by SPA


Bioorg Med Chem Lett 17: 3630-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.047
BindingDB Entry DOI: 10.7270/Q2ZK5GBB
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50213317
PNG
(2-(6-(3-((4-(trifluoromethyl)phenoxy)methyl)benzyl...)
Show SMILES OC(=O)Cc1coc2cc(OCc3cccc(COc4ccc(cc4)C(F)(F)F)c3)ccc12
Show InChI InChI=1S/C25H19F3O5/c26-25(27,28)19-4-6-20(7-5-19)31-13-16-2-1-3-17(10-16)14-32-21-8-9-22-18(11-24(29)30)15-33-23(22)12-21/h1-10,12,15H,11,13-14H2,(H,29,30)
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PC sid
UniChem

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Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]2-(4-(2-(3-(2,4-difluorophenyl)-1-heptylureido)ethyl)phenoxy)-2-methylbutanoic acid from human PPARalpha after 30 mins by SPA


Bioorg Med Chem Lett 17: 3630-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.047
BindingDB Entry DOI: 10.7270/Q2ZK5GBB
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50213317
PNG
(2-(6-(3-((4-(trifluoromethyl)phenoxy)methyl)benzyl...)
Show SMILES OC(=O)Cc1coc2cc(OCc3cccc(COc4ccc(cc4)C(F)(F)F)c3)ccc12
Show InChI InChI=1S/C25H19F3O5/c26-25(27,28)19-4-6-20(7-5-19)31-13-16-2-1-3-17(10-16)14-32-21-8-9-22-18(11-24(29)30)15-33-23(22)12-21/h1-10,12,15H,11,13-14H2,(H,29,30)
PDB

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GoogleScholar
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PC sid
UniChem

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Article
PubMed
n/an/a 24.1n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]2-(4-(3-(4-acetyl-3-hydroxy-2 propyl-phenoxy)propoxy)phenoxy)acetic acid from human PPARdelta after 30 mins by SPA


Bioorg Med Chem Lett 17: 3630-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.047
BindingDB Entry DOI: 10.7270/Q2ZK5GBB
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50213317
PNG
(2-(6-(3-((4-(trifluoromethyl)phenoxy)methyl)benzyl...)
Show SMILES OC(=O)Cc1coc2cc(OCc3cccc(COc4ccc(cc4)C(F)(F)F)c3)ccc12
Show InChI InChI=1S/C25H19F3O5/c26-25(27,28)19-4-6-20(7-5-19)31-13-16-2-1-3-17(10-16)14-32-21-8-9-22-18(11-24(29)30)15-33-23(22)12-21/h1-10,12,15H,11,13-14H2,(H,29,30)
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Article
PubMed
n/an/a 5.40E+3n/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))
BDBM50213317
PNG
(2-(6-(3-((4-(trifluoromethyl)phenoxy)methyl)benzyl...)
Show SMILES OC(=O)Cc1coc2cc(OCc3cccc(COc4ccc(cc4)C(F)(F)F)c3)ccc12
Show InChI InChI=1S/C25H19F3O5/c26-25(27,28)19-4-6-20(7-5-19)31-13-16-2-1-3-17(10-16)14-32-21-8-9-22-18(11-24(29)30)15-33-23(22)12-21/h1-10,12,15H,11,13-14H2,(H,29,30)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.50E+3n/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))
BDBM50213317
PNG
(2-(6-(3-((4-(trifluoromethyl)phenoxy)methyl)benzyl...)
Show SMILES OC(=O)Cc1coc2cc(OCc3cccc(COc4ccc(cc4)C(F)(F)F)c3)ccc12
Show InChI InChI=1S/C25H19F3O5/c26-25(27,28)19-4-6-20(7-5-19)31-13-16-2-1-3-17(10-16)14-32-21-8-9-22-18(11-24(29)30)15-33-23(22)12-21/h1-10,12,15H,11,13-14H2,(H,29,30)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 24.1n/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 delta


(Homo sapiens (Human))
BDBM50213317
PNG
(2-(6-(3-((4-(trifluoromethyl)phenoxy)methyl)benzyl...)
Show SMILES OC(=O)Cc1coc2cc(OCc3cccc(COc4ccc(cc4)C(F)(F)F)c3)ccc12
Show InChI InChI=1S/C25H19F3O5/c26-25(27,28)19-4-6-20(7-5-19)31-13-16-2-1-3-17(10-16)14-32-21-8-9-22-18(11-24(29)30)15-33-23(22)12-21/h1-10,12,15H,11,13-14H2,(H,29,30)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.49E+3n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta in HepG2 cells by GAL4-luciferase reporter gene assay


Bioorg Med Chem Lett 17: 3630-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.047
BindingDB Entry DOI: 10.7270/Q2ZK5GBB
More data for this
Ligand-Target Pair