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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 437.5
BDBM50135778

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50135778
PNG
(2-Methyl-2-(4-{2-[1-(4-methyl-benzyl)-5-oxo-4-prop...)
Show SMILES CCCn1c(CCc2ccc(OC(C)(C)C(O)=O)cc2)nn(Cc2ccc(C)cc2)c1=O
Show InChI InChI=1S/C25H31N3O4/c1-5-16-27-22(26-28(24(27)31)17-20-8-6-18(2)7-9-20)15-12-19-10-13-21(14-11-19)32-25(3,4)23(29)30/h6-11,13-14H,5,12,15-17H2,1-4H3,(H,29,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 2.80E+3n/an/an/an/a



Division of Eli Lilly & Company

Curated by ChEMBL


Assay Description
Cotransfection activity against human Peroxisome proliferator activated receptor alpha


J Med Chem 46: 5121-4 (2003)


Article DOI: 10.1021/jm034173l
BindingDB Entry DOI: 10.7270/Q2D50MB0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50135778
PNG
(2-Methyl-2-(4-{2-[1-(4-methyl-benzyl)-5-oxo-4-prop...)
Show SMILES CCCn1c(CCc2ccc(OC(C)(C)C(O)=O)cc2)nn(Cc2ccc(C)cc2)c1=O
Show InChI InChI=1S/C25H31N3O4/c1-5-16-27-22(26-28(24(27)31)17-20-8-6-18(2)7-9-20)15-12-19-10-13-21(14-11-19)32-25(3,4)23(29)30/h6-11,13-14H,5,12,15-17H2,1-4H3,(H,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/an/an/a 2.90E+3n/an/an/an/a



Division of Eli Lilly & Company

Curated by ChEMBL


Assay Description
Cotransfection activity of compound against human Peroxisome proliferator activated receptor gamma was determined


J Med Chem 46: 5121-4 (2003)


Article DOI: 10.1021/jm034173l
BindingDB Entry DOI: 10.7270/Q2D50MB0
More data for this
Ligand-Target Pair