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BDBM50132585 (2E,4Z,6Z)-7-[3,5-Di-tert-butyl-2-(2,2-difluoro-ethoxy)-phenyl]-4-fluoro-3-methyl-octa-2,4,6-trienoic acid::CHEMBL326673

SMILES: C\C(=C/C(O)=O)\C(\F)=C\C=C(\C)c1cc(cc(c1OCC(F)F)C(C)(C)C)C(C)(C)C

InChI Key: InChIKey=VKZJAKMQGKQVKR-UKWPUHOFSA-N

Data: 2 KI  2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50132585   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50132585
PNG
((2E,4Z,6Z)-7-[3,5-Di-tert-butyl-2-(2,2-difluoro-et...)
Show SMILES C\C(=C/C(O)=O)\C(\F)=C\C=C(\C)c1cc(cc(c1OCC(F)F)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C25H33F3O3/c1-15(9-10-20(26)16(2)11-22(29)30)18-12-17(24(3,4)5)13-19(25(6,7)8)23(18)31-14-21(27)28/h9-13,21H,14H2,1-8H3,(H,29,30)/b15-9-,16-11+,20-10-
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PubMed
4.80n/an/an/an/an/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
Retinoid receptor


(Homo sapiens (Human))
BDBM50132585
PNG
((2E,4Z,6Z)-7-[3,5-Di-tert-butyl-2-(2,2-difluoro-et...)
Show SMILES C\C(=C/C(O)=O)\C(\F)=C\C=C(\C)c1cc(cc(c1OCC(F)F)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C25H33F3O3/c1-15(9-10-20(26)16(2)11-22(29)30)18-12-17(24(3,4)5)13-19(25(6,7)8)23(18)31-14-21(27)28/h9-13,21H,14H2,1-8H3,(H,29,30)/b15-9-,16-11+,20-10-
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>1.00E+4n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of 3[H]ATRA binding to retinoid acid receptor gamma 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
Peroxisome Proliferator-Activated Receptor gamma/Retinoid X receptor alpha


(Homo sapiens (Human))
BDBM50132585
PNG
((2E,4Z,6Z)-7-[3,5-Di-tert-butyl-2-(2,2-difluoro-et...)
Show SMILES C\C(=C/C(O)=O)\C(\F)=C\C=C(\C)c1cc(cc(c1OCC(F)F)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C25H33F3O3/c1-15(9-10-20(26)16(2)11-22(29)30)18-12-17(24(3,4)5)13-19(25(6,7)8)23(18)31-14-21(27)28/h9-13,21H,14H2,1-8H3,(H,29,30)/b15-9-,16-11+,20-10-
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/an/an/a 143n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Synergistic activation of BRL49653 mediated PPAR gamma and retinoid X receptor alpha expressed in CV-1 cell transcriptional activation assay


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


BindingDB Entry DOI: 10.7270/Q2736Q9T
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50132585
PNG
((2E,4Z,6Z)-7-[3,5-Di-tert-butyl-2-(2,2-difluoro-et...)
Show SMILES C\C(=C/C(O)=O)\C(\F)=C\C=C(\C)c1cc(cc(c1OCC(F)F)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C25H33F3O3/c1-15(9-10-20(26)16(2)11-22(29)30)18-12-17(24(3,4)5)13-19(25(6,7)8)23(18)31-14-21(27)28/h9-13,21H,14H2,1-8H3,(H,29,30)/b15-9-,16-11+,20-10-
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PubMed
n/an/an/an/a 4.84E+3n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Synergistic activation of BRL49653 mediated PPAR gamma and retinoid X receptor alpha expressed in CV-1 cell transcriptional activation assay


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


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