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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 429.9
BDBM50263652
Wt: 429.9
BDBM50263653

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

Found 4 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))
BDBM50263652
PNG
(3-(4-(2-(4-(4-chlorophenyl)-5,6-dihydropyridin-1(2...)
Show SMILES CCOC(Cc1ccc(OCCN2CCC(=CC2)c2ccc(Cl)cc2)cc1)C(O)=O |c:15|
Show InChI InChI=1S/C24H28ClNO4/c1-2-29-23(24(27)28)17-18-3-9-22(10-4-18)30-16-15-26-13-11-20(12-14-26)19-5-7-21(25)8-6-19/h3-11,23H,2,12-17H2,1H3,(H,27,28)
PDB

UniProtKB/SwissProt

antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 7.07E+3n/an/an/an/a



Yuhan Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha expressed in african green monkey CV-1 by cotransfected with GAL4 by by dual-glo luciferase reporter gene assay


Bioorg Med Chem Lett 18: 4993-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.020
BindingDB Entry DOI: 10.7270/Q25B029G
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50263653
PNG
((S)-3-(4-(2-(4-(4-chlorophenyl)-5,6-dihydropyridin...)
Show SMILES CCO[C@@H](Cc1ccc(OCCN2CCC(=CC2)c2ccc(Cl)cc2)cc1)C(O)=O |r,c:15|
Show InChI InChI=1S/C24H28ClNO4/c1-2-29-23(24(27)28)17-18-3-9-22(10-4-18)30-16-15-26-13-11-20(12-14-26)19-5-7-21(25)8-6-19/h3-11,23H,2,12-17H2,1H3,(H,27,28)/t23-/m0/s1
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 639n/an/an/an/a



Yuhan Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in african green monkey CV-1 cotransfected with GAL4 by by dual-glo luciferase reporter gene assay


Bioorg Med Chem Lett 18: 4993-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.020
BindingDB Entry DOI: 10.7270/Q25B029G
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50263652
PNG
(3-(4-(2-(4-(4-chlorophenyl)-5,6-dihydropyridin-1(2...)
Show SMILES CCOC(Cc1ccc(OCCN2CCC(=CC2)c2ccc(Cl)cc2)cc1)C(O)=O |c:15|
Show InChI InChI=1S/C24H28ClNO4/c1-2-29-23(24(27)28)17-18-3-9-22(10-4-18)30-16-15-26-13-11-20(12-14-26)19-5-7-21(25)8-6-19/h3-11,23H,2,12-17H2,1H3,(H,27,28)
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 2.06E+3n/an/an/an/a



Yuhan Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in african green monkey CV-1 cotransfected with GAL4 by by dual-glo luciferase reporter gene assay


Bioorg Med Chem Lett 18: 4993-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.020
BindingDB Entry DOI: 10.7270/Q25B029G
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50263653
PNG
((S)-3-(4-(2-(4-(4-chlorophenyl)-5,6-dihydropyridin...)
Show SMILES CCO[C@@H](Cc1ccc(OCCN2CCC(=CC2)c2ccc(Cl)cc2)cc1)C(O)=O |r,c:15|
Show InChI InChI=1S/C24H28ClNO4/c1-2-29-23(24(27)28)17-18-3-9-22(10-4-18)30-16-15-26-13-11-20(12-14-26)19-5-7-21(25)8-6-19/h3-11,23H,2,12-17H2,1H3,(H,27,28)/t23-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.73E+3n/an/an/an/a



Yuhan Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha expressed in african green monkey CV-1 by cotransfected with GAL4 by by dual-glo luciferase reporter gene assay


Bioorg Med Chem Lett 18: 4993-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.020
BindingDB Entry DOI: 10.7270/Q25B029G
More data for this
Ligand-Target Pair