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

InChI Key: InChIKey=SPSOFQGNXAPYIS-LDADJPATSA-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 5 hits for monomerid = 50141602   
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))
BDBM50141602
PNG
((E)-3-{7-[2-(3-Fluoro-propoxy)-3,5-diisopropyl-phe...)
Show SMILES CC(C)c1cc(C(C)C)c(OCCCF)c(c1)-c1cccc2cc(oc12)C(\C)=C\C(O)=O
Show InChI InChI=1S/C27H31FO4/c1-16(2)20-13-22(17(3)4)27(31-11-7-10-28)23(14-20)21-9-6-8-19-15-24(32-26(19)21)18(5)12-25(29)30/h6,8-9,12-17H,7,10-11H2,1-5H3,(H,29,30)/b18-12+
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Article
PubMed
47n/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


(Mus musculus)
BDBM50141602
PNG
((E)-3-{7-[2-(3-Fluoro-propoxy)-3,5-diisopropyl-phe...)
Show SMILES CC(C)c1cc(C(C)C)c(OCCCF)c(c1)-c1cccc2cc(oc12)C(\C)=C\C(O)=O
Show InChI InChI=1S/C27H31FO4/c1-16(2)20-13-22(17(3)4)27(31-11-7-10-28)23(14-20)21-9-6-8-19-15-24(32-26(19)21)18(5)12-25(29)30/h6,8-9,12-17H,7,10-11H2,1-5H3,(H,29,30)/b18-12+
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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 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))
BDBM50141602
PNG
((E)-3-{7-[2-(3-Fluoro-propoxy)-3,5-diisopropyl-phe...)
Show SMILES CC(C)c1cc(C(C)C)c(OCCCF)c(c1)-c1cccc2cc(oc12)C(\C)=C\C(O)=O
Show InChI InChI=1S/C27H31FO4/c1-16(2)20-13-22(17(3)4)27(31-11-7-10-28)23(14-20)21-9-6-8-19-15-24(32-26(19)21)18(5)12-25(29)30/h6,8-9,12-17H,7,10-11H2,1-5H3,(H,29,30)/b18-12+
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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 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)
BDBM50141602
PNG
((E)-3-{7-[2-(3-Fluoro-propoxy)-3,5-diisopropyl-phe...)
Show SMILES CC(C)c1cc(C(C)C)c(OCCCF)c(c1)-c1cccc2cc(oc12)C(\C)=C\C(O)=O
Show InChI InChI=1S/C27H31FO4/c1-16(2)20-13-22(17(3)4)27(31-11-7-10-28)23(14-20)21-9-6-8-19-15-24(32-26(19)21)18(5)12-25(29)30/h6,8-9,12-17H,7,10-11H2,1-5H3,(H,29,30)/b18-12+
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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 RXR-alpha


(Homo sapiens (Human))
BDBM50141602
PNG
((E)-3-{7-[2-(3-Fluoro-propoxy)-3,5-diisopropyl-phe...)
Show SMILES CC(C)c1cc(C(C)C)c(OCCCF)c(c1)-c1cccc2cc(oc12)C(\C)=C\C(O)=O
Show InChI InChI=1S/C27H31FO4/c1-16(2)20-13-22(17(3)4)27(31-11-7-10-28)23(14-20)21-9-6-8-19-15-24(32-26(19)21)18(5)12-25(29)30/h6,8-9,12-17H,7,10-11H2,1-5H3,(H,29,30)/b18-12+
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PubMed
n/an/a 194n/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