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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor alpha' and Ligand = 'BDBM50063093'   
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))
BDBM50063093
PNG
(CHEMBL3398456)
Show SMILES Cc1oc(nc1CCOc1cccc(CC[C@@H]2CN(C[C@@H]2C(O)=O)C(=O)Oc2ccccc2)c1)-c1ccccc1 |r|
Show InChI InChI=1S/C32H32N2O6/c1-22-29(33-30(39-22)24-10-4-2-5-11-24)17-18-38-27-14-8-9-23(19-27)15-16-25-20-34(21-28(25)31(35)36)32(37)40-26-12-6-3-7-13-26/h2-14,19,25,28H,15-18,20-21H2,1H3,(H,35,36)/t25-,28+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.06E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development (R&D)

Curated by ChEMBL


Assay Description
Binding affinity to PPARalpha (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...


Bioorg Med Chem Lett 25: 1196-205 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.066
BindingDB Entry DOI: 10.7270/Q20866ZP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50063093
PNG
(CHEMBL3398456)
Show SMILES Cc1oc(nc1CCOc1cccc(CC[C@@H]2CN(C[C@@H]2C(O)=O)C(=O)Oc2ccccc2)c1)-c1ccccc1 |r|
Show InChI InChI=1S/C32H32N2O6/c1-22-29(33-30(39-22)24-10-4-2-5-11-24)17-18-38-27-14-8-9-23(19-27)15-16-25-20-34(21-28(25)31(35)36)32(37)40-26-12-6-3-7-13-26/h2-14,19,25,28H,15-18,20-21H2,1H3,(H,35,36)/t25-,28+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 8n/an/an/an/a



Bristol-Myers Squibb Research and Development (R&D)

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 tagged human PPARalpha ligand binding domain expressed in HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 25: 1196-205 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.066
BindingDB Entry DOI: 10.7270/Q20866ZP
More data for this
Ligand-Target Pair