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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peroxisome Proliferator-Activated Receptor gamma/Retinoid X receptor alpha' and Ligand = 'BDBM50132583'   
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 gamma/Retinoid X receptor alpha


(Homo sapiens (Human))
BDBM50132583
PNG
((2E,4E,6E)-7-(3,5-Di-tert-butyl-2-ethoxy-phenyl)-8...)
Show SMILES CCOc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(=C/C=C/C(/C)=C/C(O)=O)\C(F)(F)F
Show InChI InChI=1S/C25H33F3O3/c1-9-31-22-18(14-17(23(3,4)5)15-20(22)24(6,7)8)19(25(26,27)28)12-10-11-16(2)13-21(29)30/h10-15H,9H2,1-8H3,(H,29,30)/b11-10+,16-13+,19-12+
PDB

KEGG

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PC cid
PC sid
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Patents

PubMed
n/an/an/an/a 167n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of 3[H]-9-cis-retinoic acid binding to Retinoic acid receptor RXR-alpha expressed in CV-1 cells


Bioorg Med Chem Lett 13: 3191-5 (2003)


BindingDB Entry DOI: 10.7270/Q2736Q9T
More data for this
Ligand-Target Pair