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SMILES: CCCCOc1c(cc(cc1-c1cccc2cc(oc12)C(\C)=C(/F)C(O)=O)C(C)C)C(C)C

InChI Key: InChIKey=AHLAAPXBKCKDHE-BWAHOGKJSA-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 = 50141589   
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))
BDBM50141589
PNG
((Z)-3-[7-(2-Butoxy-3,5-diisopropyl-phenyl)-benzofu...)
Show SMILES CCCCOc1c(cc(cc1-c1cccc2cc(oc12)C(\C)=C(/F)C(O)=O)C(C)C)C(C)C
Show InChI InChI=1S/C28H33FO4/c1-7-8-12-32-27-22(17(4)5)13-20(16(2)3)14-23(27)21-11-9-10-19-15-24(33-26(19)21)18(6)25(29)28(30)31/h9-11,13-17H,7-8,12H2,1-6H3,(H,30,31)/b25-18-
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16n/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-gamma


(Homo sapiens (Human))
BDBM50141589
PNG
((Z)-3-[7-(2-Butoxy-3,5-diisopropyl-phenyl)-benzofu...)
Show SMILES CCCCOc1c(cc(cc1-c1cccc2cc(oc12)C(\C)=C(/F)C(O)=O)C(C)C)C(C)C
Show InChI InChI=1S/C28H33FO4/c1-7-8-12-32-27-22(17(4)5)13-20(16(2)3)14-23(27)21-11-9-10-19-15-24(33-26(19)21)18(6)25(29)28(30)31/h9-11,13-17H,7-8,12H2,1-6H3,(H,30,31)/b25-18-
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28n/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-beta


(Homo sapiens (Human))
BDBM50141589
PNG
((Z)-3-[7-(2-Butoxy-3,5-diisopropyl-phenyl)-benzofu...)
Show SMILES CCCCOc1c(cc(cc1-c1cccc2cc(oc12)C(\C)=C(/F)C(O)=O)C(C)C)C(C)C
Show InChI InChI=1S/C28H33FO4/c1-7-8-12-32-27-22(17(4)5)13-20(16(2)3)14-23(27)21-11-9-10-19-15-24(33-26(19)21)18(6)25(29)28(30)31/h9-11,13-17H,7-8,12H2,1-6H3,(H,30,31)/b25-18-
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65n/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


(Mus musculus)
BDBM50141589
PNG
((Z)-3-[7-(2-Butoxy-3,5-diisopropyl-phenyl)-benzofu...)
Show SMILES CCCCOc1c(cc(cc1-c1cccc2cc(oc12)C(\C)=C(/F)C(O)=O)C(C)C)C(C)C
Show InChI InChI=1S/C28H33FO4/c1-7-8-12-32-27-22(17(4)5)13-20(16(2)3)14-23(27)21-11-9-10-19-15-24(33-26(19)21)18(6)25(29)28(30)31/h9-11,13-17H,7-8,12H2,1-6H3,(H,30,31)/b25-18-
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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 RXR-beta


(Mus musculus)
BDBM50141589
PNG
((Z)-3-[7-(2-Butoxy-3,5-diisopropyl-phenyl)-benzofu...)
Show SMILES CCCCOc1c(cc(cc1-c1cccc2cc(oc12)C(\C)=C(/F)C(O)=O)C(C)C)C(C)C
Show InChI InChI=1S/C28H33FO4/c1-7-8-12-32-27-22(17(4)5)13-20(16(2)3)14-23(27)21-11-9-10-19-15-24(33-26(19)21)18(6)25(29)28(30)31/h9-11,13-17H,7-8,12H2,1-6H3,(H,30,31)/b25-18-
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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 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 alpha


(Homo sapiens (Human))
BDBM50141589
PNG
((Z)-3-[7-(2-Butoxy-3,5-diisopropyl-phenyl)-benzofu...)
Show SMILES CCCCOc1c(cc(cc1-c1cccc2cc(oc12)C(\C)=C(/F)C(O)=O)C(C)C)C(C)C
Show InChI InChI=1S/C28H33FO4/c1-7-8-12-32-27-22(17(4)5)13-20(16(2)3)14-23(27)21-11-9-10-19-15-24(33-26(19)21)18(6)25(29)28(30)31/h9-11,13-17H,7-8,12H2,1-6H3,(H,30,31)/b25-18-
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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-alpha


(Homo sapiens (Human))
BDBM50141589
PNG
((Z)-3-[7-(2-Butoxy-3,5-diisopropyl-phenyl)-benzofu...)
Show SMILES CCCCOc1c(cc(cc1-c1cccc2cc(oc12)C(\C)=C(/F)C(O)=O)C(C)C)C(C)C
Show InChI InChI=1S/C28H33FO4/c1-7-8-12-32-27-22(17(4)5)13-20(16(2)3)14-23(27)21-11-9-10-19-15-24(33-26(19)21)18(6)25(29)28(30)31/h9-11,13-17H,7-8,12H2,1-6H3,(H,30,31)/b25-18-
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n/an/a 11n/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