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BDBM50179843 2-(4-(3-(2-chloro-4-(4-fluorophenoxy)phenoxy)propoxy)benzyl)pentanoic acid::CHEMBL381477

SMILES: CCCC(Cc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(O)=O

InChI Key: InChIKey=MOIFGGMAUNAZIX-UHFFFAOYSA-N

Data: 2 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 3 hits for monomerid = 50179843   
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))
BDBM50179843
PNG
(2-(4-(3-(2-chloro-4-(4-fluorophenoxy)phenoxy)propo...)
Show SMILES CCCC(Cc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C27H28ClFO5/c1-2-4-20(27(30)31)17-19-5-9-22(10-6-19)32-15-3-16-33-26-14-13-24(18-25(26)28)34-23-11-7-21(29)8-12-23/h5-14,18,20H,2-4,15-17H2,1H3,(H,30,31)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 454n/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))
BDBM50179843
PNG
(2-(4-(3-(2-chloro-4-(4-fluorophenoxy)phenoxy)propo...)
Show SMILES CCCC(Cc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C27H28ClFO5/c1-2-4-20(27(30)31)17-19-5-9-22(10-6-19)32-15-3-16-33-26-14-13-24(18-25(26)28)34-23-11-7-21(29)8-12-23/h5-14,18,20H,2-4,15-17H2,1H3,(H,30,31)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.13E+3n/an/an/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
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50179843
PNG
(2-(4-(3-(2-chloro-4-(4-fluorophenoxy)phenoxy)propo...)
Show SMILES CCCC(Cc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C27H28ClFO5/c1-2-4-20(27(30)31)17-19-5-9-22(10-6-19)32-15-3-16-33-26-14-13-24(18-25(26)28)34-23-11-7-21(29)8-12-23/h5-14,18,20H,2-4,15-17H2,1H3,(H,30,31)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 130n/an/an/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