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SMILES: CCCOc1c(cc(cc1-c1cccc2cc(oc12)C(\C)=C\C(O)=O)C(C)C)C(C)C

InChI Key: InChIKey=DPZKZYSYZRNUER-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 = 50141605   
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))
BDBM50141605
PNG
((E)-3-[7-(3,5-Diisopropyl-2-propoxy-phenyl)-benzof...)
Show SMILES CCCOc1c(cc(cc1-c1cccc2cc(oc12)C(\C)=C\C(O)=O)C(C)C)C(C)C
Show InChI InChI=1S/C27H32O4/c1-7-11-30-27-22(17(4)5)13-20(16(2)3)14-23(27)21-10-8-9-19-15-24(31-26(19)21)18(6)12-25(28)29/h8-10,12-17H,7,11H2,1-6H3,(H,28,29)/b18-12+
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PubMed
44n/an/an/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
Retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50141605
PNG
((E)-3-[7-(3,5-Diisopropyl-2-propoxy-phenyl)-benzof...)
Show SMILES CCCOc1c(cc(cc1-c1cccc2cc(oc12)C(\C)=C\C(O)=O)C(C)C)C(C)C
Show InChI InChI=1S/C27H32O4/c1-7-11-30-27-22(17(4)5)13-20(16(2)3)14-23(27)21-10-8-9-19-15-24(31-26(19)21)18(6)12-25(28)29/h8-10,12-17H,7,11H2,1-6H3,(H,28,29)/b18-12+
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Article
PubMed
8.50E+3n/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)
BDBM50141605
PNG
((E)-3-[7-(3,5-Diisopropyl-2-propoxy-phenyl)-benzof...)
Show SMILES CCCOc1c(cc(cc1-c1cccc2cc(oc12)C(\C)=C\C(O)=O)C(C)C)C(C)C
Show InChI InChI=1S/C27H32O4/c1-7-11-30-27-22(17(4)5)13-20(16(2)3)14-23(27)21-10-8-9-19-15-24(31-26(19)21)18(6)12-25(28)29/h8-10,12-17H,7,11H2,1-6H3,(H,28,29)/b18-12+
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PubMed
9.20E+3n/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-gamma


(Mus musculus)
BDBM50141605
PNG
((E)-3-[7-(3,5-Diisopropyl-2-propoxy-phenyl)-benzof...)
Show SMILES CCCOc1c(cc(cc1-c1cccc2cc(oc12)C(\C)=C\C(O)=O)C(C)C)C(C)C
Show InChI InChI=1S/C27H32O4/c1-7-11-30-27-22(17(4)5)13-20(16(2)3)14-23(27)21-10-8-9-19-15-24(31-26(19)21)18(6)12-25(28)29/h8-10,12-17H,7,11H2,1-6H3,(H,28,29)/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 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-alpha


(Homo sapiens (Human))
BDBM50141605
PNG
((E)-3-[7-(3,5-Diisopropyl-2-propoxy-phenyl)-benzof...)
Show SMILES CCCOc1c(cc(cc1-c1cccc2cc(oc12)C(\C)=C\C(O)=O)C(C)C)C(C)C
Show InChI InChI=1S/C27H32O4/c1-7-11-30-27-22(17(4)5)13-20(16(2)3)14-23(27)21-10-8-9-19-15-24(31-26(19)21)18(6)12-25(28)29/h8-10,12-17H,7,11H2,1-6H3,(H,28,29)/b18-12+
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Article
PubMed
n/an/a 128n/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