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BDBM50179826 (R)-2-(4-(3-(2-chloro-4-(4-fluorophenoxy)phenoxy)propoxy)benzyl)-2-methylbutanoic acid::CHEMBL203408

SMILES: CC[C@](C)(Cc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(O)=O

InChI Key: InChIKey=SGYYFIRXDUVJLR-HHHXNRCGSA-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 = 50179826   
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))
BDBM50179826
PNG
((R)-2-(4-(3-(2-chloro-4-(4-fluorophenoxy)phenoxy)p...)
Show SMILES CC[C@](C)(Cc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C27H28ClFO5/c1-3-27(2,26(30)31)18-19-5-9-21(10-6-19)32-15-4-16-33-25-14-13-23(17-24(25)28)34-22-11-7-20(29)8-12-22/h5-14,17H,3-4,15-16,18H2,1-2H3,(H,30,31)/t27-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6n/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
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50179826
PNG
((R)-2-(4-(3-(2-chloro-4-(4-fluorophenoxy)phenoxy)p...)
Show SMILES CC[C@](C)(Cc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C27H28ClFO5/c1-3-27(2,26(30)31)18-19-5-9-21(10-6-19)32-15-4-16-33-25-14-13-23(17-24(25)28)34-22-11-7-20(29)8-12-22/h5-14,17H,3-4,15-16,18H2,1-2H3,(H,30,31)/t27-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.09E+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))
BDBM50179826
PNG
((R)-2-(4-(3-(2-chloro-4-(4-fluorophenoxy)phenoxy)p...)
Show SMILES CC[C@](C)(Cc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C27H28ClFO5/c1-3-27(2,26(30)31)18-19-5-9-21(10-6-19)32-15-4-16-33-25-14-13-23(17-24(25)28)34-22-11-7-20(29)8-12-22/h5-14,17H,3-4,15-16,18H2,1-2H3,(H,30,31)/t27-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 3n/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