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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 = 'BDBM50309072'   
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))
BDBM50309072
PNG
(CHEMBL592054 | IMIGLITAZAR)
Show SMILES Cc1oc(nc1COc1ccc(CO\N=C(/CCC(O)=O)c2ccccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C28H26N2O5/c1-20-26(29-28(35-20)23-10-6-3-7-11-23)19-33-24-14-12-21(13-15-24)18-34-30-25(16-17-27(31)32)22-8-4-2-5-9-22/h2-15H,16-19H2,1H3,(H,31,32)/b30-25+
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MCE
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Article
PubMed
n/an/an/an/a 8n/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha transactivation expressed in human HePG2 cells


Bioorg Med Chem Lett 18: 6471-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.062
BindingDB Entry DOI: 10.7270/Q2BK1D9Z
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50309072
PNG
(CHEMBL592054 | IMIGLITAZAR)
Show SMILES Cc1oc(nc1COc1ccc(CO\N=C(/CCC(O)=O)c2ccccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C28H26N2O5/c1-20-26(29-28(35-20)23-10-6-3-7-11-23)19-33-24-14-12-21(13-15-24)18-34-30-25(16-17-27(31)32)22-8-4-2-5-9-22/h2-15H,16-19H2,1H3,(H,31,32)/b30-25+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 5n/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at human full length PPARalpha expressed in human HepG2 cells cotransfected with PPRE3-TK-luc assessed as induction of beta-galactos...


Bioorg Med Chem Lett 20: 1156-61 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.022
BindingDB Entry DOI: 10.7270/Q20865FJ
More data for this
Ligand-Target Pair