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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 438.9
BDBM50535433

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 delta


(Homo sapiens (Human))
BDBM50535433
PNG
(CHEMBL4461949)
Show SMILES CC(C)(Oc1ccc(OCCc2ccc(cc2)\N=N\c2ccc(Cl)cc2)cc1)C(O)=O
Show InChI InChI=1S/C24H23ClN2O4/c1-24(2,23(28)29)31-22-13-11-21(12-14-22)30-16-15-17-3-7-19(8-4-17)26-27-20-9-5-18(25)6-10-20/h3-14H,15-16H2,1-2H3,(H,28,29)/b27-26+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.20E+3n/an/an/an/a



University of Chieti "G. d.Annunzio"

Curated by ChEMBL


Assay Description
Transactivation of GAL4-tagged human PPARdelta LBD expressed in human HepG2 cells at 100 nM to 100 uM incubated for 20 to 22 hrs by luciferase report...


ACS Med Chem Lett 10: 545-551 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00574
BindingDB Entry DOI: 10.7270/Q2QZ2FG6
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50535433
PNG
(CHEMBL4461949)
Show SMILES CC(C)(Oc1ccc(OCCc2ccc(cc2)\N=N\c2ccc(Cl)cc2)cc1)C(O)=O
Show InChI InChI=1S/C24H23ClN2O4/c1-24(2,23(28)29)31-22-13-11-21(12-14-22)30-16-15-17-3-7-19(8-4-17)26-27-20-9-5-18(25)6-10-20/h3-14H,15-16H2,1-2H3,(H,28,29)/b27-26+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 510n/an/an/an/a



University of Chieti "G. d.Annunzio"

Curated by ChEMBL


Assay Description
Transactivation of GAL4-tagged human PPARalpha LBD expressed in human HepG2 cells at 100 nM to 100 uM incubated for 20 to 22 hrs by luciferase report...


ACS Med Chem Lett 10: 545-551 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00574
BindingDB Entry DOI: 10.7270/Q2QZ2FG6
More data for this
Ligand-Target Pair