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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor alpha' and Ligand = 'BDBM50179846'   
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))
BDBM50179846
PNG
((S)-2-methyl-2-((4-(3-(2-oxo-4-(trifluoromethyl)-2...)
Show SMILES CC[C@@](C)(Cc1ccc(OCCCOc2ccc3c(cc(=O)oc3c2)C(F)(F)F)cc1)C(O)=O
Show InChI InChI=1S/C25H25F3O6/c1-3-24(2,23(30)31)15-16-5-7-17(8-6-16)32-11-4-12-33-18-9-10-19-20(25(26,27)28)14-22(29)34-21(19)13-18/h5-10,13-14H,3-4,11-12,15H2,1-2H3,(H,30,31)/t24-/m0/s1
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 537n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPAR alpha


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair