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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 484.5
BDBM50189560

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 gamma


(Homo sapiens (Human))
BDBM50189560
PNG
(CHEMBL3828201)
Show SMILES COC(=O)N(CC(O)=O)Cc1cc(OCc2nc(oc2C)-c2ccc(cc2)C(C)(C)C)ccc1F
Show InChI InChI=1S/C26H29FN2O6/c1-16-22(28-24(35-16)17-6-8-19(9-7-17)26(2,3)4)15-34-20-10-11-21(27)18(12-20)13-29(14-23(30)31)25(32)33-5/h6-12H,13-15H2,1-5H3,(H,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 414n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-tagged human PPAR-gamma expressed in HEK cells by transactivation assay


ACS Med Chem Lett 7: 590-4 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00033
BindingDB Entry DOI: 10.7270/Q2CR5W99
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50189560
PNG
(CHEMBL3828201)
Show SMILES COC(=O)N(CC(O)=O)Cc1cc(OCc2nc(oc2C)-c2ccc(cc2)C(C)(C)C)ccc1F
Show InChI InChI=1S/C26H29FN2O6/c1-16-22(28-24(35-16)17-6-8-19(9-7-17)26(2,3)4)15-34-20-10-11-21(27)18(12-20)13-29(14-23(30)31)25(32)33-5/h6-12H,13-15H2,1-5H3,(H,30,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.70n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-tagged human PPAR-alpha expressed in HEK cells by transactivation assay


ACS Med Chem Lett 7: 590-4 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00033
BindingDB Entry DOI: 10.7270/Q2CR5W99
More data for this
Ligand-Target Pair