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BDBM50179819 2-(4-(4-(2-chloro-4-(4-fluorophenoxy)phenoxy)butoxy)phenoxy)-2-methylpropanoic acid::CHEMBL377508

SMILES: CC(C)(Oc1ccc(OCCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(O)=O

InChI Key: InChIKey=DDPMKDJRWHFNKY-UHFFFAOYSA-N

Data: 1 IC50  5 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 = 50179819   
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))
BDBM50179819
PNG
(2-(4-(4-(2-chloro-4-(4-fluorophenoxy)phenoxy)butox...)
Show SMILES CC(C)(Oc1ccc(OCCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C26H26ClFO6/c1-26(2,25(29)30)34-21-11-9-19(10-12-21)31-15-3-4-16-32-24-14-13-22(17-23(24)27)33-20-7-5-18(28)6-8-20/h5-14,17H,3-4,15-16H2,1-2H3,(H,29,30)
PDB
MMDB

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Article
PubMed
n/an/an/an/a 7.69E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPAR gamma


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50179819
PNG
(2-(4-(4-(2-chloro-4-(4-fluorophenoxy)phenoxy)butox...)
Show SMILES CC(C)(Oc1ccc(OCCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C26H26ClFO6/c1-26(2,25(29)30)34-21-11-9-19(10-12-21)31-15-3-4-16-32-24-14-13-22(17-23(24)27)33-20-7-5-18(28)6-8-20/h5-14,17H,3-4,15-16H2,1-2H3,(H,29,30)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 66n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPAR alpha


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50179819
PNG
(2-(4-(4-(2-chloro-4-(4-fluorophenoxy)phenoxy)butox...)
Show SMILES CC(C)(Oc1ccc(OCCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C26H26ClFO6/c1-26(2,25(29)30)34-21-11-9-19(10-12-21)31-15-3-4-16-32-24-14-13-22(17-23(24)27)33-20-7-5-18(28)6-8-20/h5-14,17H,3-4,15-16H2,1-2H3,(H,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

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Article
PubMed
n/an/a 7.69E+3n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50179819
PNG
(2-(4-(4-(2-chloro-4-(4-fluorophenoxy)phenoxy)butox...)
Show SMILES CC(C)(Oc1ccc(OCCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C26H26ClFO6/c1-26(2,25(29)30)34-21-11-9-19(10-12-21)31-15-3-4-16-32-24-14-13-22(17-23(24)27)33-20-7-5-18(28)6-8-20/h5-14,17H,3-4,15-16H2,1-2H3,(H,29,30)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 35n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation by human PPAR alpha in COS1 cells


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50179819
PNG
(2-(4-(4-(2-chloro-4-(4-fluorophenoxy)phenoxy)butox...)
Show SMILES CC(C)(Oc1ccc(OCCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C26H26ClFO6/c1-26(2,25(29)30)34-21-11-9-19(10-12-21)31-15-3-4-16-32-24-14-13-22(17-23(24)27)33-20-7-5-18(28)6-8-20/h5-14,17H,3-4,15-16H2,1-2H3,(H,29,30)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 284n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation by human PPAR delta in COS1 cells


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50179819
PNG
(2-(4-(4-(2-chloro-4-(4-fluorophenoxy)phenoxy)butox...)
Show SMILES CC(C)(Oc1ccc(OCCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C26H26ClFO6/c1-26(2,25(29)30)34-21-11-9-19(10-12-21)31-15-3-4-16-32-24-14-13-22(17-23(24)27)33-20-7-5-18(28)6-8-20/h5-14,17H,3-4,15-16H2,1-2H3,(H,29,30)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 545n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPAR delta


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair