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SMILES: CCCOc1c(cc(cc1-c1cccc2sc(cc12)C(\C)=C\C(O)=O)C(C)C)C(C)C

InChI Key: InChIKey=QLLJNZNWZIPIAL-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 7 hits for monomerid = 50141604   
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))
BDBM50141604
PNG
((E)-3-[4-(3,5-Diisopropyl-2-propoxy-phenyl)-benzo[...)
Show SMILES CCCOc1c(cc(cc1-c1cccc2sc(cc12)C(\C)=C\C(O)=O)C(C)C)C(C)C
Show InChI InChI=1S/C27H32O3S/c1-7-11-30-27-21(17(4)5)13-19(16(2)3)14-23(27)20-9-8-10-24-22(20)15-25(31-24)18(6)12-26(28)29/h8-10,12-17H,7,11H2,1-6H3,(H,28,29)/b18-12+
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PubMed
14n/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))
BDBM50141604
PNG
((E)-3-[4-(3,5-Diisopropyl-2-propoxy-phenyl)-benzo[...)
Show SMILES CCCOc1c(cc(cc1-c1cccc2sc(cc12)C(\C)=C\C(O)=O)C(C)C)C(C)C
Show InChI InChI=1S/C27H32O3S/c1-7-11-30-27-21(17(4)5)13-19(16(2)3)14-23(27)20-9-8-10-24-22(20)15-25(31-24)18(6)12-26(28)29/h8-10,12-17H,7,11H2,1-6H3,(H,28,29)/b18-12+
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15n/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))
BDBM50141604
PNG
((E)-3-[4-(3,5-Diisopropyl-2-propoxy-phenyl)-benzo[...)
Show SMILES CCCOc1c(cc(cc1-c1cccc2sc(cc12)C(\C)=C\C(O)=O)C(C)C)C(C)C
Show InChI InChI=1S/C27H32O3S/c1-7-11-30-27-21(17(4)5)13-19(16(2)3)14-23(27)20-9-8-10-24-22(20)15-25(31-24)18(6)12-26(28)29/h8-10,12-17H,7,11H2,1-6H3,(H,28,29)/b18-12+
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20n/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 alpha


(Homo sapiens (Human))
BDBM50141604
PNG
((E)-3-[4-(3,5-Diisopropyl-2-propoxy-phenyl)-benzo[...)
Show SMILES CCCOc1c(cc(cc1-c1cccc2sc(cc12)C(\C)=C\C(O)=O)C(C)C)C(C)C
Show InChI InChI=1S/C27H32O3S/c1-7-11-30-27-21(17(4)5)13-19(16(2)3)14-23(27)20-9-8-10-24-22(20)15-25(31-24)18(6)12-26(28)29/h8-10,12-17H,7,11H2,1-6H3,(H,28,29)/b18-12+
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PubMed
6.91E+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-gamma


(Mus musculus)
BDBM50141604
PNG
((E)-3-[4-(3,5-Diisopropyl-2-propoxy-phenyl)-benzo[...)
Show SMILES CCCOc1c(cc(cc1-c1cccc2sc(cc12)C(\C)=C\C(O)=O)C(C)C)C(C)C
Show InChI InChI=1S/C27H32O3S/c1-7-11-30-27-21(17(4)5)13-19(16(2)3)14-23(27)20-9-8-10-24-22(20)15-25(31-24)18(6)12-26(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-beta


(Mus musculus)
BDBM50141604
PNG
((E)-3-[4-(3,5-Diisopropyl-2-propoxy-phenyl)-benzo[...)
Show SMILES CCCOc1c(cc(cc1-c1cccc2sc(cc12)C(\C)=C\C(O)=O)C(C)C)C(C)C
Show InChI InChI=1S/C27H32O3S/c1-7-11-30-27-21(17(4)5)13-19(16(2)3)14-23(27)20-9-8-10-24-22(20)15-25(31-24)18(6)12-26(28)29/h8-10,12-17H,7,11H2,1-6H3,(H,28,29)/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 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))
BDBM50141604
PNG
((E)-3-[4-(3,5-Diisopropyl-2-propoxy-phenyl)-benzo[...)
Show SMILES CCCOc1c(cc(cc1-c1cccc2sc(cc12)C(\C)=C\C(O)=O)C(C)C)C(C)C
Show InChI InChI=1S/C27H32O3S/c1-7-11-30-27-21(17(4)5)13-19(16(2)3)14-23(27)20-9-8-10-24-22(20)15-25(31-24)18(6)12-26(28)29/h8-10,12-17H,7,11H2,1-6H3,(H,28,29)/b18-12+
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PubMed
n/an/a 16n/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