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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 Monomerid = 50227750   
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 (PPAR alpha)


(Homo sapiens (Human))
BDBM50227750
PNG
(3-(4-(3-((7-bromo-1H-indole-2-carboxamido)methyl)p...)
Show SMILES Cc1cc(Oc2cccc(CNC(=O)c3cc4cccc(Br)c4[nH]3)c2)ccc1CCC(O)=O
Show InChI InChI=1S/C26H23BrN2O4/c1-16-12-21(10-8-18(16)9-11-24(30)31)33-20-6-2-4-17(13-20)15-28-26(32)23-14-19-5-3-7-22(27)25(19)29-23/h2-8,10,12-14,29H,9,11,15H2,1H3,(H,28,32)(H,30,31)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.86E+3n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARalpha


Bioorg Med Chem 20: 3523-32 (2012)


Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50227750
PNG
(3-(4-(3-((7-bromo-1H-indole-2-carboxamido)methyl)p...)
Show SMILES Cc1cc(Oc2cccc(CNC(=O)c3cc4cccc(Br)c4[nH]3)c2)ccc1CCC(O)=O
Show InChI InChI=1S/C26H23BrN2O4/c1-16-12-21(10-8-18(16)9-11-24(30)31)33-20-6-2-4-17(13-20)15-28-26(32)23-14-19-5-3-7-22(27)25(19)29-23/h2-8,10,12-14,29H,9,11,15H2,1H3,(H,28,32)(H,30,31)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.87E+3n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from human PPARalpha


Bioorg Med Chem Lett 17: 6744-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.047
BindingDB Entry DOI: 10.7270/Q2VT1RTW
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50227750
PNG
(3-(4-(3-((7-bromo-1H-indole-2-carboxamido)methyl)p...)
Show SMILES Cc1cc(Oc2cccc(CNC(=O)c3cc4cccc(Br)c4[nH]3)c2)ccc1CCC(O)=O
Show InChI InChI=1S/C26H23BrN2O4/c1-16-12-21(10-8-18(16)9-11-24(30)31)33-20-6-2-4-17(13-20)15-28-26(32)23-14-19-5-3-7-22(27)25(19)29-23/h2-8,10,12-14,29H,9,11,15H2,1H3,(H,28,32)(H,30,31)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 2.40E+3n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha expressed in CV1 cells by receptor transactivation assay


Bioorg Med Chem Lett 17: 6744-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.047
BindingDB Entry DOI: 10.7270/Q2VT1RTW
More data for this
Ligand-Target Pair