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BDBM50227756 2-methyl-2-(2-methyl-4-(3-((2-methylbenzamido)methyl)phenoxy)phenoxy)propanoic acid::CHEMBL393940

SMILES: Cc1cc(Oc2cccc(CNC(=O)c3ccccc3C)c2)ccc1OC(C)(C)C(O)=O

InChI Key: InChIKey=LVTFMCYHAXZDHY-UHFFFAOYSA-N

Data: 3 IC50  3 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 = 50227756   
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))
BDBM50227756
PNG
(2-methyl-2-(2-methyl-4-(3-((2-methylbenzamido)meth...)
Show SMILES Cc1cc(Oc2cccc(CNC(=O)c3ccccc3C)c2)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C26H27NO5/c1-17-8-5-6-11-22(17)24(28)27-16-19-9-7-10-20(15-19)31-21-12-13-23(18(2)14-21)32-26(3,4)25(29)30/h5-15H,16H2,1-4H3,(H,27,28)(H,29,30)
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Article
PubMed
n/an/an/an/a 125n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in CV1 cells by receptor transactivation assay


Bioorg Med Chem Lett 17: 6744-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.047
BindingDB Entry DOI: 10.7270/Q2VT1RTW
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50227756
PNG
(2-methyl-2-(2-methyl-4-(3-((2-methylbenzamido)meth...)
Show SMILES Cc1cc(Oc2cccc(CNC(=O)c3ccccc3C)c2)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C26H27NO5/c1-17-8-5-6-11-22(17)24(28)27-16-19-9-7-10-20(15-19)31-21-12-13-23(18(2)14-21)32-26(3,4)25(29)30/h5-15H,16H2,1-4H3,(H,27,28)(H,29,30)
PDB

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Article
PubMed
n/an/a 64n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from human PPARdelta


Bioorg Med Chem Lett 17: 6744-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.047
BindingDB Entry DOI: 10.7270/Q2VT1RTW
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50227756
PNG
(2-methyl-2-(2-methyl-4-(3-((2-methylbenzamido)meth...)
Show SMILES Cc1cc(Oc2cccc(CNC(=O)c3ccccc3C)c2)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C26H27NO5/c1-17-8-5-6-11-22(17)24(28)27-16-19-9-7-10-20(15-19)31-21-12-13-23(18(2)14-21)32-26(3,4)25(29)30/h5-15H,16H2,1-4H3,(H,27,28)(H,29,30)
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Article
PubMed
n/an/an/an/a 2.73E+3n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha expressed in CV1 cells by receptor transactivation assay


Bioorg Med Chem Lett 17: 6744-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.047
BindingDB Entry DOI: 10.7270/Q2VT1RTW
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50227756
PNG
(2-methyl-2-(2-methyl-4-(3-((2-methylbenzamido)meth...)
Show SMILES Cc1cc(Oc2cccc(CNC(=O)c3ccccc3C)c2)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C26H27NO5/c1-17-8-5-6-11-22(17)24(28)27-16-19-9-7-10-20(15-19)31-21-12-13-23(18(2)14-21)32-26(3,4)25(29)30/h5-15H,16H2,1-4H3,(H,27,28)(H,29,30)
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from human PPARalpha


Bioorg Med Chem Lett 17: 6744-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.047
BindingDB Entry DOI: 10.7270/Q2VT1RTW
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50227756
PNG
(2-methyl-2-(2-methyl-4-(3-((2-methylbenzamido)meth...)
Show SMILES Cc1cc(Oc2cccc(CNC(=O)c3ccccc3C)c2)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C26H27NO5/c1-17-8-5-6-11-22(17)24(28)27-16-19-9-7-10-20(15-19)31-21-12-13-23(18(2)14-21)32-26(3,4)25(29)30/h5-15H,16H2,1-4H3,(H,27,28)(H,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-methyl-2-(4-{3-{propyl-(5-pyridin-2-yl-thiophene-2-sulfonyl)-amino}-propyl}-phenoxy)-propionic acid from human PPARgamma


Bioorg Med Chem Lett 17: 6744-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.047
BindingDB Entry DOI: 10.7270/Q2VT1RTW
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50227756
PNG
(2-methyl-2-(2-methyl-4-(3-((2-methylbenzamido)meth...)
Show SMILES Cc1cc(Oc2cccc(CNC(=O)c3ccccc3C)c2)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C26H27NO5/c1-17-8-5-6-11-22(17)24(28)27-16-19-9-7-10-20(15-19)31-21-12-13-23(18(2)14-21)32-26(3,4)25(29)30/h5-15H,16H2,1-4H3,(H,27,28)(H,29,30)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 1.88E+3n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta expressed in CV1 cells by receptor transactivation assay


Bioorg Med Chem Lett 17: 6744-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.047
BindingDB Entry DOI: 10.7270/Q2VT1RTW
More data for this
Ligand-Target Pair