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SMILES: CC(C)c1cc(C(C)C)c(OCC(F)F)c(c1)-c1cccc2cc(oc12)C(\C)=C\C(O)=O

InChI Key: InChIKey=BRUVNPAWSIQMDY-CXUHLZMHSA-N

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 7 hits for monomerid = 50141603   
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))
BDBM50141603
PNG
((E)-3-{7-[2-(2,2-Difluoro-ethoxy)-3,5-diisopropyl-...)
Show SMILES CC(C)c1cc(C(C)C)c(OCC(F)F)c(c1)-c1cccc2cc(oc12)C(\C)=C\C(O)=O
Show InChI InChI=1S/C26H28F2O4/c1-14(2)18-10-20(15(3)4)26(31-13-23(27)28)21(11-18)19-8-6-7-17-12-22(32-25(17)19)16(5)9-24(29)30/h6-12,14-15,23H,13H2,1-5H3,(H,29,30)/b16-9+
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PubMed
161n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity against Retinoic acid receptor RXR-alpha by [3H]-9-cis-RA displacement.


Bioorg Med Chem Lett 14: 1593-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.089
BindingDB Entry DOI: 10.7270/Q2B857JF
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-beta


(Homo sapiens (Human))
BDBM50141603
PNG
((E)-3-{7-[2-(2,2-Difluoro-ethoxy)-3,5-diisopropyl-...)
Show SMILES CC(C)c1cc(C(C)C)c(OCC(F)F)c(c1)-c1cccc2cc(oc12)C(\C)=C\C(O)=O
Show InChI InChI=1S/C26H28F2O4/c1-14(2)18-10-20(15(3)4)26(31-13-23(27)28)21(11-18)19-8-6-7-17-12-22(32-25(17)19)16(5)9-24(29)30/h6-12,14-15,23H,13H2,1-5H3,(H,29,30)/b16-9+
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261n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-9-cis-RA from Retinoic X receptor beta


Bioorg Med Chem Lett 14: 1593-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.089
BindingDB Entry DOI: 10.7270/Q2B857JF
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-gamma


(Homo sapiens (Human))
BDBM50141603
PNG
((E)-3-{7-[2-(2,2-Difluoro-ethoxy)-3,5-diisopropyl-...)
Show SMILES CC(C)c1cc(C(C)C)c(OCC(F)F)c(c1)-c1cccc2cc(oc12)C(\C)=C\C(O)=O
Show InChI InChI=1S/C26H28F2O4/c1-14(2)18-10-20(15(3)4)26(31-13-23(27)28)21(11-18)19-8-6-7-17-12-22(32-25(17)19)16(5)9-24(29)30/h6-12,14-15,23H,13H2,1-5H3,(H,29,30)/b16-9+
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500n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-9-cis-RA from retinoic X receptor gamma


Bioorg Med Chem Lett 14: 1593-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.089
BindingDB Entry DOI: 10.7270/Q2B857JF
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-gamma


(Mus musculus)
BDBM50141603
PNG
((E)-3-{7-[2-(2,2-Difluoro-ethoxy)-3,5-diisopropyl-...)
Show SMILES CC(C)c1cc(C(C)C)c(OCC(F)F)c(c1)-c1cccc2cc(oc12)C(\C)=C\C(O)=O
Show InChI InChI=1S/C26H28F2O4/c1-14(2)18-10-20(15(3)4)26(31-13-23(27)28)21(11-18)19-8-6-7-17-12-22(32-25(17)19)16(5)9-24(29)30/h6-12,14-15,23H,13H2,1-5H3,(H,29,30)/b16-9+
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>1.00E+4n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity against retinoic acid receptor gamma by [3H]-ATRA displacement.


Bioorg Med Chem Lett 14: 1593-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.089
BindingDB Entry DOI: 10.7270/Q2B857JF
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50141603
PNG
((E)-3-{7-[2-(2,2-Difluoro-ethoxy)-3,5-diisopropyl-...)
Show SMILES CC(C)c1cc(C(C)C)c(OCC(F)F)c(c1)-c1cccc2cc(oc12)C(\C)=C\C(O)=O
Show InChI InChI=1S/C26H28F2O4/c1-14(2)18-10-20(15(3)4)26(31-13-23(27)28)21(11-18)19-8-6-7-17-12-22(32-25(17)19)16(5)9-24(29)30/h6-12,14-15,23H,13H2,1-5H3,(H,29,30)/b16-9+
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>1.00E+4n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity against retinoic acid receptor alpha by [3H]-ATRA displacement.


Bioorg Med Chem Lett 14: 1593-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.089
BindingDB Entry DOI: 10.7270/Q2B857JF
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-beta


(Mus musculus)
BDBM50141603
PNG
((E)-3-{7-[2-(2,2-Difluoro-ethoxy)-3,5-diisopropyl-...)
Show SMILES CC(C)c1cc(C(C)C)c(OCC(F)F)c(c1)-c1cccc2cc(oc12)C(\C)=C\C(O)=O
Show InChI InChI=1S/C26H28F2O4/c1-14(2)18-10-20(15(3)4)26(31-13-23(27)28)21(11-18)19-8-6-7-17-12-22(32-25(17)19)16(5)9-24(29)30/h6-12,14-15,23H,13H2,1-5H3,(H,29,30)/b16-9+
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity again retinoic acid receptor beta by [3H]-ATRA displacement.


Bioorg Med Chem Lett 14: 1593-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.089
BindingDB Entry DOI: 10.7270/Q2B857JF
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50141603
PNG
((E)-3-{7-[2-(2,2-Difluoro-ethoxy)-3,5-diisopropyl-...)
Show SMILES CC(C)c1cc(C(C)C)c(OCC(F)F)c(c1)-c1cccc2cc(oc12)C(\C)=C\C(O)=O
Show InChI InChI=1S/C26H28F2O4/c1-14(2)18-10-20(15(3)4)26(31-13-23(27)28)21(11-18)19-8-6-7-17-12-22(32-25(17)19)16(5)9-24(29)30/h6-12,14-15,23H,13H2,1-5H3,(H,29,30)/b16-9+
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PubMed
n/an/a 300n/an/an/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Antagonist activity for Retinoic X receptor alpha in CV1 cells


Bioorg Med Chem Lett 14: 1593-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.089
BindingDB Entry DOI: 10.7270/Q2B857JF
More data for this
Ligand-Target Pair