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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor alpha' and Ligand = 'BDBM50371235'   
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))
BDBM50371235
PNG
(CIPROFIBRATE)
Show SMILES CC(C)(Oc1ccc(cc1)C1CC1(Cl)Cl)C(O)=O
Show InChI InChI=1S/C13H14Cl2O3/c1-12(2,11(16)17)18-9-5-3-8(4-6-9)10-7-13(10,14)15/h3-6,10H,7H2,1-2H3,(H,16,17)
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UniProtKB/SwissProt

antibodypedia
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PC sid
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PubMed
n/an/an/an/a 900n/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused PPARalpha ligand binding domain transfected in human HepG2 cells after 20 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 22: 6681-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.099
BindingDB Entry DOI: 10.7270/Q28C9XCD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50371235
PNG
(CIPROFIBRATE)
Show SMILES CC(C)(Oc1ccc(cc1)C1CC1(Cl)Cl)C(O)=O
Show InChI InChI=1S/C13H14Cl2O3/c1-12(2,11(16)17)18-9-5-3-8(4-6-9)10-7-13(10,14)15/h3-6,10H,7H2,1-2H3,(H,16,17)
PDB

UniProtKB/SwissProt

antibodypedia
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MCE
PC cid
PC sid
PDB
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PDB
Article
PubMed
n/an/an/an/a 900n/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused PPARalpha LBD expressed in HepG2 cells after 20 hrs by luminescence assay


Bioorg Med Chem Lett 22: 2527-33 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.136
BindingDB Entry DOI: 10.7270/Q2P55PHF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha


(Rattus norvegicus)
BDBM50371235
PNG
(CIPROFIBRATE)
Show SMILES CC(C)(Oc1ccc(cc1)C1CC1(Cl)Cl)C(O)=O
Show InChI InChI=1S/C13H14Cl2O3/c1-12(2,11(16)17)18-9-5-3-8(4-6-9)10-7-13(10,14)15/h3-6,10H,7H2,1-2H3,(H,16,17)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
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Article
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n/an/an/an/a>1.00E+4n/an/an/an/a



Johnson& Johnson

Curated by ChEMBL


Assay Description
Agonist activity at rat PPARalpha in rat H4IIE cells assessed as gene induction


Bioorg Med Chem Lett 17: 6773-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.041
BindingDB Entry DOI: 10.7270/Q27945H6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)