new BindingDB logo
myBDB logout

PubMed code 19053776

Compile data set for download or QSAR
Found 9 hits of Enzyme Inhibition Constant Data   
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 (PPAR alpha)


(Homo sapiens (Human))
BDBM24566
PNG
(2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...)
Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C
Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
n/an/an/an/a 1.62E+3n/an/an/an/a



Consiglio Nazionale delle Ricerche



Assay Description
The HepG2 cells were co-transfected with DNA construct containing PPAR-Gal4 chimeric receptor and Gal4-luciferase reporter. The luciferase activity w...


J Med Chem 51: 7768-76 (2008)


Article DOI: 10.1021/jm800733h
BindingDB Entry DOI: 10.7270/Q2CC0Z0D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM28760
PNG
((2R)-3-phenyl-2-(4-phenylphenoxy)propanoic acid | ...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)Oc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C21H18O3/c22-21(23)20(15-16-7-3-1-4-8-16)24-19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20H,15H2,(H,22,23)/t20-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 5.93E+3n/an/an/an/a



Consiglio Nazionale delle Ricerche



Assay Description
The HepG2 cells were co-transfected with DNA construct containing PPAR-Gal4 chimeric receptor and Gal4-luciferase reporter. The luciferase activity w...


J Med Chem 51: 7768-76 (2008)


Article DOI: 10.1021/jm800733h
BindingDB Entry DOI: 10.7270/Q2CC0Z0D
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM28681
PNG
(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1
Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PDB
Article
PubMed
n/an/an/an/a 40n/an/an/an/a



Consiglio Nazionale delle Ricerche



Assay Description
The HepG2 cells were co-transfected with DNA construct containing PPAR-Gal4 chimeric receptor and Gal4-luciferase reporter. The luciferase activity w...


J Med Chem 51: 7768-76 (2008)


Article DOI: 10.1021/jm800733h
BindingDB Entry DOI: 10.7270/Q2CC0Z0D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM28759
PNG
((2S)-3-phenyl-2-(4-phenylphenoxy)propanoic acid | ...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C21H18O3/c22-21(23)20(15-16-7-3-1-4-8-16)24-19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20H,15H2,(H,22,23)/t20-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/an/a 220n/an/an/an/a



Consiglio Nazionale delle Ricerche



Assay Description
The HepG2 cells were co-transfected with DNA construct containing PPAR-Gal4 chimeric receptor and Gal4-luciferase reporter. The luciferase activity w...


J Med Chem 51: 7768-76 (2008)


Article DOI: 10.1021/jm800733h
BindingDB Entry DOI: 10.7270/Q2CC0Z0D
More data for this
Ligand-Target Pair
Peroxisome Proliferator-Activated Receptor alpha


(Mus musculus)
BDBM28760
PNG
((2R)-3-phenyl-2-(4-phenylphenoxy)propanoic acid | ...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)Oc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C21H18O3/c22-21(23)20(15-16-7-3-1-4-8-16)24-19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20H,15H2,(H,22,23)/t20-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/an/an/an/an/an/a



Consiglio Nazionale delle Ricerche



Assay Description
The HepG2 cells were co-transfected with DNA construct containing PPAR-Gal4 chimeric receptor and Gal4-luciferase reporter. The luciferase activity w...


J Med Chem 51: 7768-76 (2008)


Article DOI: 10.1021/jm800733h
BindingDB Entry DOI: 10.7270/Q2CC0Z0D
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM28759
PNG
((2S)-3-phenyl-2-(4-phenylphenoxy)propanoic acid | ...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C21H18O3/c22-21(23)20(15-16-7-3-1-4-8-16)24-19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20H,15H2,(H,22,23)/t20-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/an/a 480n/an/an/an/a



Consiglio Nazionale delle Ricerche



Assay Description
The HepG2 cells were co-transfected with DNA construct containing PPAR-Gal4 chimeric receptor and Gal4-luciferase reporter. The luciferase activity w...


J Med Chem 51: 7768-76 (2008)


Article DOI: 10.1021/jm800733h
BindingDB Entry DOI: 10.7270/Q2CC0Z0D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome Proliferator-Activated Receptor alpha


(Mus musculus)
BDBM28759
PNG
((2S)-3-phenyl-2-(4-phenylphenoxy)propanoic acid | ...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C21H18O3/c22-21(23)20(15-16-7-3-1-4-8-16)24-19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20H,15H2,(H,22,23)/t20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/an/a 260n/an/an/an/a



Consiglio Nazionale delle Ricerche



Assay Description
The HepG2 cells were co-transfected with DNA construct containing PPAR-Gal4 chimeric receptor and Gal4-luciferase reporter. The luciferase activity w...


J Med Chem 51: 7768-76 (2008)


Article DOI: 10.1021/jm800733h
BindingDB Entry DOI: 10.7270/Q2CC0Z0D
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM28760
PNG
((2R)-3-phenyl-2-(4-phenylphenoxy)propanoic acid | ...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)Oc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C21H18O3/c22-21(23)20(15-16-7-3-1-4-8-16)24-19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20H,15H2,(H,22,23)/t20-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/an/an/an/an/an/a



Consiglio Nazionale delle Ricerche



Assay Description
The HepG2 cells were co-transfected with DNA construct containing PPAR-Gal4 chimeric receptor and Gal4-luciferase reporter. The luciferase activity w...


J Med Chem 51: 7768-76 (2008)


Article DOI: 10.1021/jm800733h
BindingDB Entry DOI: 10.7270/Q2CC0Z0D
More data for this
Ligand-Target Pair
Peroxisome Proliferator-Activated Receptor alpha


(Mus musculus)
BDBM24566
PNG
(2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...)
Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C
Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
n/an/an/an/a 40n/an/an/an/a



Consiglio Nazionale delle Ricerche



Assay Description
The HepG2 cells were co-transfected with DNA construct containing PPAR-Gal4 chimeric receptor and Gal4-luciferase reporter. The luciferase activity w...


J Med Chem 51: 7768-76 (2008)


Article DOI: 10.1021/jm800733h
BindingDB Entry DOI: 10.7270/Q2CC0Z0D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%