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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 = 'BDBM50063308'   
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))
BDBM50063308
PNG
(CHEMBL3398435)
Show SMILES Cc1oc(nc1CCOc1ccc(cc1)[C@@H]1CN(C[C@@H]1CC(O)=O)C(=O)Oc1ccccc1)-c1ccccc1 |r|
Show InChI InChI=1S/C31H30N2O6/c1-21-28(32-30(38-21)23-8-4-2-5-9-23)16-17-37-25-14-12-22(13-15-25)27-20-33(19-24(27)18-29(34)35)31(36)39-26-10-6-3-7-11-26/h2-15,24,27H,16-20H2,1H3,(H,34,35)/t24-,27-/m0/s1
PDB

UniProtKB/SwissProt

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PC sid
UniChem

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Similars

Article
PubMed
n/an/a>1.50E+4n/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))
BDBM50063308
PNG
(CHEMBL3398435)
Show SMILES Cc1oc(nc1CCOc1ccc(cc1)[C@@H]1CN(C[C@@H]1CC(O)=O)C(=O)Oc1ccccc1)-c1ccccc1 |r|
Show InChI InChI=1S/C31H30N2O6/c1-21-28(32-30(38-21)23-8-4-2-5-9-23)16-17-37-25-14-12-22(13-15-25)27-20-33(19-24(27)18-29(34)35)31(36)39-26-10-6-3-7-11-26/h2-15,24,27H,16-20H2,1H3,(H,34,35)/t24-,27-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a>1.50E+4n/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