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PubMed code 12951091

Compile data set for download or QSAR
Found 36 hits of Enzyme Inhibition Constant Data   
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
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM50129720
PNG
((2E,4E,6Z)-7-[3,5-Di-tert-butyl-2-(2,2-difluoro-et...)
Show SMILES C\C(\C=C\C=C(\C)c1cc(cc(c1OCC(F)F)C(C)(C)C)C(C)(C)C)=C/C(O)=O
Show InChI InChI=1S/C25H34F2O3/c1-16(12-22(28)29)10-9-11-17(2)19-13-18(24(3,4)5)14-20(25(6,7)8)23(19)30-15-21(26)27/h9-14,21H,15H2,1-8H3,(H,28,29)/b10-9+,16-12+,17-11-
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PubMed
2.70n/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)


Article DOI: 10.1016/s0960-894x(03)00703-0
BindingDB Entry DOI: 10.7270/Q2736Q9T
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM50132579
PNG
((2E,4E,6Z)-7-(2-Butoxy-3,5-di-tert-butyl-phenyl)-3...)
Show SMILES CCCCOc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(\C)=C/C=C/C(/C)=C/C(O)=O
Show InChI InChI=1S/C27H40O3/c1-10-11-15-30-25-22(20(3)14-12-13-19(2)16-24(28)29)17-21(26(4,5)6)18-23(25)27(7,8)9/h12-14,16-18H,10-11,15H2,1-9H3,(H,28,29)/b13-12+,19-16+,20-14-
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3.80n/an/an/an/an/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)


Article DOI: 10.1016/s0960-894x(03)00703-0
BindingDB Entry DOI: 10.7270/Q2736Q9T
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
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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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)


Article DOI: 10.1016/s0960-894x(03)00703-0
BindingDB Entry DOI: 10.7270/Q2736Q9T
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM50132580
PNG
((2E,4E,6E)-7-[3,5-Di-tert-butyl-2-(2,2-difluoro-et...)
Show SMILES C\C(\C=C\C(\F)=C(\C)c1cc(cc(c1OCC(F)F)C(C)(C)C)C(C)(C)C)=C/C(O)=O
Show InChI InChI=1S/C25H33F3O3/c1-15(11-22(29)30)9-10-20(26)16(2)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)/b10-9+,15-11+,20-16+
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7.80n/an/an/an/an/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)


Article DOI: 10.1016/s0960-894x(03)00703-0
BindingDB Entry DOI: 10.7270/Q2736Q9T
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM50132581
PNG
((2E,4Z,6Z)-7-[3,5-Di-tert-butyl-2-(2,2-difluoro-et...)
Show SMILES C\C(=C/C(O)=O)\C=C(/F)\C=C(\C)c1cc(cc(c1OCC(F)F)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C25H33F3O3/c1-15(10-22(29)30)9-18(26)11-16(2)19-12-17(24(3,4)5)13-20(25(6,7)8)23(19)31-14-21(27)28/h9-13,21H,14H2,1-8H3,(H,29,30)/b15-10+,16-11-,18-9-
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8.20n/an/an/an/an/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)


Article DOI: 10.1016/s0960-894x(03)00703-0
BindingDB Entry DOI: 10.7270/Q2736Q9T
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM50132584
PNG
((2Z,4E,6Z)-7-[3,5-Di-tert-butyl-2-(2,2-difluoro-et...)
Show SMILES C\C(\C=C\C=C(\C)c1cc(cc(c1OCC(F)F)C(C)(C)C)C(C)(C)C)=C(\F)C(O)=O
Show InChI InChI=1S/C25H33F3O3/c1-15(10-9-11-16(2)21(28)23(29)30)18-12-17(24(3,4)5)13-19(25(6,7)8)22(18)31-14-20(26)27/h9-13,20H,14H2,1-8H3,(H,29,30)/b11-9+,15-10-,21-16-
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11n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against Retinoic acid receptor RXR-alpha expressed in CV-1 cell transcriptional activation assay


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


Article DOI: 10.1016/s0960-894x(03)00703-0
BindingDB Entry DOI: 10.7270/Q2736Q9T
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM50129728
PNG
((2E,4E,6Z)-7-(3,5-Di-tert-butyl-2-ethoxy-phenyl)-3...)
Show SMILES CCOc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(\C)=C/C=C/C(/C)=C/C(O)=O
Show InChI InChI=1S/C25H36O3/c1-10-28-23-20(18(3)13-11-12-17(2)14-22(26)27)15-19(24(4,5)6)16-21(23)25(7,8)9/h11-16H,10H2,1-9H3,(H,26,27)/b12-11+,17-14+,18-13-
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11n/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)


Article DOI: 10.1016/s0960-894x(03)00703-0
BindingDB Entry DOI: 10.7270/Q2736Q9T
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
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+
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50n/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)


Article DOI: 10.1016/s0960-894x(03)00703-0
BindingDB Entry DOI: 10.7270/Q2736Q9T
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM50132582
PNG
((2Z,4E,6Z)-7-(2-Butoxy-3,5-di-tert-butyl-phenyl)-3...)
Show SMILES CCCCOc1c(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/C27H37F3O3/c1-9-10-14-33-24-21(15-20(25(3,4)5)16-22(24)26(6,7)8)18(2)12-11-13-19(17-23(31)32)27(28,29)30/h11-13,15-17H,9-10,14H2,1-8H3,(H,31,32)/b13-11+,18-12-,19-17-
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5.21E+3n/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)


Article DOI: 10.1016/s0960-894x(03)00703-0
BindingDB Entry DOI: 10.7270/Q2736Q9T
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens)
BDBM50129728
PNG
((2E,4E,6Z)-7-(3,5-Di-tert-butyl-2-ethoxy-phenyl)-3...)
Show SMILES CCOc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(\C)=C/C=C/C(/C)=C/C(O)=O
Show InChI InChI=1S/C25H36O3/c1-10-28-23-20(18(3)13-11-12-17(2)14-22(26)27)15-19(24(4,5)6)16-21(23)25(7,8)9/h11-16H,10H2,1-9H3,(H,26,27)/b12-11+,17-14+,18-13-
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8.57E+3n/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)


Article DOI: 10.1016/s0960-894x(03)00703-0
BindingDB Entry DOI: 10.7270/Q2736Q9T
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens)
BDBM50132579
PNG
((2E,4E,6Z)-7-(2-Butoxy-3,5-di-tert-butyl-phenyl)-3...)
Show SMILES CCCCOc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(\C)=C/C=C/C(/C)=C/C(O)=O
Show InChI InChI=1S/C27H40O3/c1-10-11-15-30-25-22(20(3)14-12-13-19(2)16-24(28)29)17-21(26(4,5)6)18-23(25)27(7,8)9/h12-14,16-18H,10-11,15H2,1-9H3,(H,28,29)/b13-12+,19-16+,20-14-
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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)


Article DOI: 10.1016/s0960-894x(03)00703-0
BindingDB Entry DOI: 10.7270/Q2736Q9T
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens)
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+
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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)


Article DOI: 10.1016/s0960-894x(03)00703-0
BindingDB Entry DOI: 10.7270/Q2736Q9T
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens)
BDBM50132582
PNG
((2Z,4E,6Z)-7-(2-Butoxy-3,5-di-tert-butyl-phenyl)-3...)
Show SMILES CCCCOc1c(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/C27H37F3O3/c1-9-10-14-33-24-21(15-20(25(3,4)5)16-22(24)26(6,7)8)18(2)12-11-13-19(17-23(31)32)27(28,29)30/h11-13,15-17H,9-10,14H2,1-8H3,(H,31,32)/b13-11+,18-12-,19-17-
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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)


Article DOI: 10.1016/s0960-894x(03)00703-0
BindingDB Entry DOI: 10.7270/Q2736Q9T
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens)
BDBM50132580
PNG
((2E,4E,6E)-7-[3,5-Di-tert-butyl-2-(2,2-difluoro-et...)
Show SMILES C\C(\C=C\C(\F)=C(\C)c1cc(cc(c1OCC(F)F)C(C)(C)C)C(C)(C)C)=C/C(O)=O
Show InChI InChI=1S/C25H33F3O3/c1-15(11-22(29)30)9-10-20(26)16(2)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)/b10-9+,15-11+,20-16+
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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)


Article DOI: 10.1016/s0960-894x(03)00703-0
BindingDB Entry DOI: 10.7270/Q2736Q9T
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens)
BDBM50132581
PNG
((2E,4Z,6Z)-7-[3,5-Di-tert-butyl-2-(2,2-difluoro-et...)
Show SMILES C\C(=C/C(O)=O)\C=C(/F)\C=C(\C)c1cc(cc(c1OCC(F)F)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C25H33F3O3/c1-15(10-22(29)30)9-18(26)11-16(2)19-12-17(24(3,4)5)13-20(25(6,7)8)23(19)31-14-21(27)28/h9-13,21H,14H2,1-8H3,(H,29,30)/b15-10+,16-11-,18-9-
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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)


Article DOI: 10.1016/s0960-894x(03)00703-0
BindingDB Entry DOI: 10.7270/Q2736Q9T
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens)
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)


Article DOI: 10.1016/s0960-894x(03)00703-0
BindingDB Entry DOI: 10.7270/Q2736Q9T
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens)
BDBM50132584
PNG
((2Z,4E,6Z)-7-[3,5-Di-tert-butyl-2-(2,2-difluoro-et...)
Show SMILES C\C(\C=C\C=C(\C)c1cc(cc(c1OCC(F)F)C(C)(C)C)C(C)(C)C)=C(\F)C(O)=O
Show InChI InChI=1S/C25H33F3O3/c1-15(10-9-11-16(2)21(28)23(29)30)18-12-17(24(3,4)5)13-19(25(6,7)8)22(18)31-14-20(26)27/h9-13,20H,14H2,1-8H3,(H,29,30)/b11-9+,15-10-,21-16-
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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)


Article DOI: 10.1016/s0960-894x(03)00703-0
BindingDB Entry DOI: 10.7270/Q2736Q9T
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens)
BDBM50129720
PNG
((2E,4E,6Z)-7-[3,5-Di-tert-butyl-2-(2,2-difluoro-et...)
Show SMILES C\C(\C=C\C=C(\C)c1cc(cc(c1OCC(F)F)C(C)(C)C)C(C)(C)C)=C/C(O)=O
Show InChI InChI=1S/C25H34F2O3/c1-16(12-22(28)29)10-9-11-17(2)19-13-18(24(3,4)5)14-20(25(6,7)8)23(19)30-15-21(26)27/h9-14,21H,15H2,1-8H3,(H,28,29)/b10-9+,16-12+,17-11-
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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)


Article DOI: 10.1016/s0960-894x(03)00703-0
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))
BDBM50129728
PNG
((2E,4E,6Z)-7-(3,5-Di-tert-butyl-2-ethoxy-phenyl)-3...)
Show SMILES CCOc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(\C)=C/C=C/C(/C)=C/C(O)=O
Show InChI InChI=1S/C25H36O3/c1-10-28-23-20(18(3)13-11-12-17(2)14-22(26)27)15-19(24(4,5)6)16-21(23)25(7,8)9/h11-16H,10H2,1-9H3,(H,26,27)/b12-11+,17-14+,18-13-
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n/an/an/an/a 2n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against Retinoic acid receptor RXR-alpha expressed in CV-1 cell transcriptional activation assay


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


Article DOI: 10.1016/s0960-894x(03)00703-0
BindingDB Entry DOI: 10.7270/Q2736Q9T
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM50132581
PNG
((2E,4Z,6Z)-7-[3,5-Di-tert-butyl-2-(2,2-difluoro-et...)
Show SMILES C\C(=C/C(O)=O)\C=C(/F)\C=C(\C)c1cc(cc(c1OCC(F)F)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C25H33F3O3/c1-15(10-22(29)30)9-18(26)11-16(2)19-12-17(24(3,4)5)13-20(25(6,7)8)23(19)31-14-21(27)28/h9-13,21H,14H2,1-8H3,(H,29,30)/b15-10+,16-11-,18-9-
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n/an/an/an/a 8.71E+3n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against Retinoic acid receptor RXR-alpha expressed in CV-1 cell transcriptional activation assay


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


Article DOI: 10.1016/s0960-894x(03)00703-0
BindingDB Entry DOI: 10.7270/Q2736Q9T
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM50132579
PNG
((2E,4E,6Z)-7-(2-Butoxy-3,5-di-tert-butyl-phenyl)-3...)
Show SMILES CCCCOc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(\C)=C/C=C/C(/C)=C/C(O)=O
Show InChI InChI=1S/C27H40O3/c1-10-11-15-30-25-22(20(3)14-12-13-19(2)16-24(28)29)17-21(26(4,5)6)18-23(25)27(7,8)9/h12-14,16-18H,10-11,15H2,1-9H3,(H,28,29)/b13-12+,19-16+,20-14-
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n/an/an/an/a 3.30n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against Retinoic acid receptor RXR-alpha expressed in CV-1 cell transcriptional activation assay


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


Article DOI: 10.1016/s0960-894x(03)00703-0
BindingDB Entry DOI: 10.7270/Q2736Q9T
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM50132581
PNG
((2E,4Z,6Z)-7-[3,5-Di-tert-butyl-2-(2,2-difluoro-et...)
Show SMILES C\C(=C/C(O)=O)\C=C(/F)\C=C(\C)c1cc(cc(c1OCC(F)F)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C25H33F3O3/c1-15(10-22(29)30)9-18(26)11-16(2)19-12-17(24(3,4)5)13-20(25(6,7)8)23(19)31-14-21(27)28/h9-13,21H,14H2,1-8H3,(H,29,30)/b15-10+,16-11-,18-9-
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n/an/an/an/a 259n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity against Retinoic acid receptor RXR-alpha expressed in CV-1 cell transcriptional activation assay


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


Article DOI: 10.1016/s0960-894x(03)00703-0
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))
BDBM50132582
PNG
((2Z,4E,6Z)-7-(2-Butoxy-3,5-di-tert-butyl-phenyl)-3...)
Show SMILES CCCCOc1c(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/C27H37F3O3/c1-9-10-14-33-24-21(15-20(25(3,4)5)16-22(24)26(6,7)8)18(2)12-11-13-19(17-23(31)32)27(28,29)30/h11-13,15-17H,9-10,14H2,1-8H3,(H,31,32)/b13-11+,18-12-,19-17-
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n/an/an/an/a 359n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against Retinoic acid receptor RXR-alpha expressed in CV-1 cell transcriptional activation assay


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


Article DOI: 10.1016/s0960-894x(03)00703-0
BindingDB Entry DOI: 10.7270/Q2736Q9T
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
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+
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n/an/an/an/a 38n/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)


Article DOI: 10.1016/s0960-894x(03)00703-0
BindingDB Entry DOI: 10.7270/Q2736Q9T
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM50132584
PNG
((2Z,4E,6Z)-7-[3,5-Di-tert-butyl-2-(2,2-difluoro-et...)
Show SMILES C\C(\C=C\C=C(\C)c1cc(cc(c1OCC(F)F)C(C)(C)C)C(C)(C)C)=C(\F)C(O)=O
Show InChI InChI=1S/C25H33F3O3/c1-15(10-9-11-16(2)21(28)23(29)30)18-12-17(24(3,4)5)13-19(25(6,7)8)22(18)31-14-20(26)27/h9-13,20H,14H2,1-8H3,(H,29,30)/b11-9+,15-10-,21-16-
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n/an/an/an/a 3.40n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against Retinoic acid receptor RXR-alpha expressed in CV-1 cell transcriptional activation assay


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


Article DOI: 10.1016/s0960-894x(03)00703-0
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))
BDBM50132580
PNG
((2E,4E,6E)-7-[3,5-Di-tert-butyl-2-(2,2-difluoro-et...)
Show SMILES C\C(\C=C\C(\F)=C(\C)c1cc(cc(c1OCC(F)F)C(C)(C)C)C(C)(C)C)=C/C(O)=O
Show InChI InChI=1S/C25H33F3O3/c1-15(11-22(29)30)9-10-20(26)16(2)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)/b10-9+,15-11+,20-16+
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n/an/an/an/a 6.40n/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)


Article DOI: 10.1016/s0960-894x(03)00703-0
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))
BDBM50132581
PNG
((2E,4Z,6Z)-7-[3,5-Di-tert-butyl-2-(2,2-difluoro-et...)
Show SMILES C\C(=C/C(O)=O)\C=C(/F)\C=C(\C)c1cc(cc(c1OCC(F)F)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C25H33F3O3/c1-15(10-22(29)30)9-18(26)11-16(2)19-12-17(24(3,4)5)13-20(25(6,7)8)23(19)31-14-21(27)28/h9-13,21H,14H2,1-8H3,(H,29,30)/b15-10+,16-11-,18-9-
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n/an/an/an/a 249n/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)


Article DOI: 10.1016/s0960-894x(03)00703-0
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-
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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)


Article DOI: 10.1016/s0960-894x(03)00703-0
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))
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+
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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)


Article DOI: 10.1016/s0960-894x(03)00703-0
BindingDB Entry DOI: 10.7270/Q2736Q9T
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM50129728
PNG
((2E,4E,6Z)-7-(3,5-Di-tert-butyl-2-ethoxy-phenyl)-3...)
Show SMILES CCOc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(\C)=C/C=C/C(/C)=C/C(O)=O
Show InChI InChI=1S/C25H36O3/c1-10-28-23-20(18(3)13-11-12-17(2)14-22(26)27)15-19(24(4,5)6)16-21(23)25(7,8)9/h11-16H,10H2,1-9H3,(H,26,27)/b12-11+,17-14+,18-13-
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n/an/an/an/a 6.40n/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)


Article DOI: 10.1016/s0960-894x(03)00703-0
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))
BDBM50132584
PNG
((2Z,4E,6Z)-7-[3,5-Di-tert-butyl-2-(2,2-difluoro-et...)
Show SMILES C\C(\C=C\C=C(\C)c1cc(cc(c1OCC(F)F)C(C)(C)C)C(C)(C)C)=C(\F)C(O)=O
Show InChI InChI=1S/C25H33F3O3/c1-15(10-9-11-16(2)21(28)23(29)30)18-12-17(24(3,4)5)13-19(25(6,7)8)22(18)31-14-20(26)27/h9-13,20H,14H2,1-8H3,(H,29,30)/b11-9+,15-10-,21-16-
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n/an/an/an/a 2.70n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against Retinoic acid receptor RXR-alpha expressed in CV-1 cell transcriptional activation assay


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


Article DOI: 10.1016/s0960-894x(03)00703-0
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))
BDBM50132579
PNG
((2E,4E,6Z)-7-(2-Butoxy-3,5-di-tert-butyl-phenyl)-3...)
Show SMILES CCCCOc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(\C)=C/C=C/C(/C)=C/C(O)=O
Show InChI InChI=1S/C27H40O3/c1-10-11-15-30-25-22(20(3)14-12-13-19(2)16-24(28)29)17-21(26(4,5)6)18-23(25)27(7,8)9/h12-14,16-18H,10-11,15H2,1-9H3,(H,28,29)/b13-12+,19-16+,20-14-
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n/an/an/an/a 9.20n/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)


Article DOI: 10.1016/s0960-894x(03)00703-0
BindingDB Entry DOI: 10.7270/Q2736Q9T
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM50132582
PNG
((2Z,4E,6Z)-7-(2-Butoxy-3,5-di-tert-butyl-phenyl)-3...)
Show SMILES CCCCOc1c(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/C27H37F3O3/c1-9-10-14-33-24-21(15-20(25(3,4)5)16-22(24)26(6,7)8)18(2)12-11-13-19(17-23(31)32)27(28,29)30/h11-13,15-17H,9-10,14H2,1-8H3,(H,31,32)/b13-11+,18-12-,19-17-
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n/an/an/an/a 806n/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)


Article DOI: 10.1016/s0960-894x(03)00703-0
BindingDB Entry DOI: 10.7270/Q2736Q9T
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
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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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)


Article DOI: 10.1016/s0960-894x(03)00703-0
BindingDB Entry DOI: 10.7270/Q2736Q9T
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM50132580
PNG
((2E,4E,6E)-7-[3,5-Di-tert-butyl-2-(2,2-difluoro-et...)
Show SMILES C\C(\C=C\C(\F)=C(\C)c1cc(cc(c1OCC(F)F)C(C)(C)C)C(C)(C)C)=C/C(O)=O
Show InChI InChI=1S/C25H33F3O3/c1-15(11-22(29)30)9-10-20(26)16(2)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)/b10-9+,15-11+,20-16+
PDB
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Article
PubMed
n/an/an/an/a 6.80n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against Retinoic acid receptor RXR-alpha expressed in CV-1 cell transcriptional activation assay


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


Article DOI: 10.1016/s0960-894x(03)00703-0
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))
BDBM50129720
PNG
((2E,4E,6Z)-7-[3,5-Di-tert-butyl-2-(2,2-difluoro-et...)
Show SMILES C\C(\C=C\C=C(\C)c1cc(cc(c1OCC(F)F)C(C)(C)C)C(C)(C)C)=C/C(O)=O
Show InChI InChI=1S/C25H34F2O3/c1-16(12-22(28)29)10-9-11-17(2)19-13-18(24(3,4)5)14-20(25(6,7)8)23(19)30-15-21(26)27/h9-14,21H,15H2,1-8H3,(H,28,29)/b10-9+,16-12+,17-11-
PDB

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UniProtKB/SwissProt

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PC cid
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UniChem

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Article
PubMed
n/an/an/an/a 3.10n/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)


Article DOI: 10.1016/s0960-894x(03)00703-0
BindingDB Entry DOI: 10.7270/Q2736Q9T
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%