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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 = 50227764   
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))
BDBM50227764
PNG
(2-(4-(3-((2-fluoro-4-(trifluoromethyl)benzamido)me...)
Show SMILES Cc1cc(CNC(=O)c2ccc(cc2F)C(F)(F)F)cc(Oc2ccc(OC(C)(C)C(O)=O)c(C)c2)c1
Show InChI InChI=1S/C27H25F4NO5/c1-15-9-17(14-32-24(33)21-7-5-18(13-22(21)28)27(29,30)31)12-20(10-15)36-19-6-8-23(16(2)11-19)37-26(3,4)25(34)35/h5-13H,14H2,1-4H3,(H,32,33)(H,34,35)
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n/an/a 313n/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))
BDBM50227764
PNG
(2-(4-(3-((2-fluoro-4-(trifluoromethyl)benzamido)me...)
Show SMILES Cc1cc(CNC(=O)c2ccc(cc2F)C(F)(F)F)cc(Oc2ccc(OC(C)(C)C(O)=O)c(C)c2)c1
Show InChI InChI=1S/C27H25F4NO5/c1-15-9-17(14-32-24(33)21-7-5-18(13-22(21)28)27(29,30)31)12-20(10-15)36-19-6-8-23(16(2)11-19)37-26(3,4)25(34)35/h5-13H,14H2,1-4H3,(H,32,33)(H,34,35)
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Article
PubMed
n/an/a 313n/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))
BDBM50227764
PNG
(2-(4-(3-((2-fluoro-4-(trifluoromethyl)benzamido)me...)
Show SMILES Cc1cc(CNC(=O)c2ccc(cc2F)C(F)(F)F)cc(Oc2ccc(OC(C)(C)C(O)=O)c(C)c2)c1
Show InChI InChI=1S/C27H25F4NO5/c1-15-9-17(14-32-24(33)21-7-5-18(13-22(21)28)27(29,30)31)12-20(10-15)36-19-6-8-23(16(2)11-19)37-26(3,4)25(34)35/h5-13H,14H2,1-4H3,(H,32,33)(H,34,35)
PDB

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PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/an/an/a 544n/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