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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 Monomerid = 50176622   
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))
BDBM50176622
PNG
(2-(5-(2-(2-(4-fluorophenyl)-5-methyloxazol-4-yl)et...)
Show SMILES CCC(C1CCc2cc(OCCc3nc(oc3C)-c3ccc(F)cc3)ccc12)C(O)=O
Show InChI InChI=1S/C25H26FNO4/c1-3-20(25(28)29)22-10-6-17-14-19(9-11-21(17)22)30-13-12-23-15(2)31-24(27-23)16-4-7-18(26)8-5-16/h4-5,7-9,11,14,20,22H,3,6,10,12-13H2,1-2H3,(H,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 137n/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Activity against PPAR alpha in human by FRET assay


Bioorg Med Chem Lett 16: 297-301 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.008
BindingDB Entry DOI: 10.7270/Q28P6025
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50176622
PNG
(2-(5-(2-(2-(4-fluorophenyl)-5-methyloxazol-4-yl)et...)
Show SMILES CCC(C1CCc2cc(OCCc3nc(oc3C)-c3ccc(F)cc3)ccc12)C(O)=O
Show InChI InChI=1S/C25H26FNO4/c1-3-20(25(28)29)22-10-6-17-14-19(9-11-21(17)22)30-13-12-23-15(2)31-24(27-23)16-4-7-18(26)8-5-16/h4-5,7-9,11,14,20,22H,3,6,10,12-13H2,1-2H3,(H,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 37n/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Activity against PPAR alpha in human by FRET assay


Bioorg Med Chem Lett 16: 297-301 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.008
BindingDB Entry DOI: 10.7270/Q28P6025
More data for this
Ligand-Target Pair