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SMILES: CCN(C\C=C\C(\C)=C\C(O)=O)c1cc(cc(c1)C(C)(C)C)C(C)(C)C

InChI Key: InChIKey=PQPQJCKYWXRQJD-DWLYSLLYSA-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 6 hits for monomerid = 50179119   
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-beta


(Homo sapiens (Human))
BDBM50179119
PNG
((2E,4E)-6-((3,5-di-tert-butylphenyl)(ethyl)amino)-...)
Show SMILES CCN(C\C=C\C(\C)=C\C(O)=O)c1cc(cc(c1)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C23H35NO2/c1-9-24(12-10-11-17(2)13-21(25)26)20-15-18(22(3,4)5)14-19(16-20)23(6,7)8/h10-11,13-16H,9,12H2,1-8H3,(H,25,26)/b11-10+,17-13+
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24n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to RXRbeta


Bioorg Med Chem Lett 16: 2352-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.003
BindingDB Entry DOI: 10.7270/Q2S75FW3
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50179119
PNG
((2E,4E)-6-((3,5-di-tert-butylphenyl)(ethyl)amino)-...)
Show SMILES CCN(C\C=C\C(\C)=C\C(O)=O)c1cc(cc(c1)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C23H35NO2/c1-9-24(12-10-11-17(2)13-21(25)26)20-15-18(22(3,4)5)14-19(16-20)23(6,7)8/h10-11,13-16H,9,12H2,1-8H3,(H,25,26)/b11-10+,17-13+
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31n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to RXRalpha


Bioorg Med Chem Lett 16: 2352-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.003
BindingDB Entry DOI: 10.7270/Q2S75FW3
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-gamma


(Homo sapiens (Human))
BDBM50179119
PNG
((2E,4E)-6-((3,5-di-tert-butylphenyl)(ethyl)amino)-...)
Show SMILES CCN(C\C=C\C(\C)=C\C(O)=O)c1cc(cc(c1)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C23H35NO2/c1-9-24(12-10-11-17(2)13-21(25)26)20-15-18(22(3,4)5)14-19(16-20)23(6,7)8/h10-11,13-16H,9,12H2,1-8H3,(H,25,26)/b11-10+,17-13+
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35n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to RXRgamma


Bioorg Med Chem Lett 16: 2352-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.003
BindingDB Entry DOI: 10.7270/Q2S75FW3
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-beta


(Homo sapiens (Human))
BDBM50179119
PNG
((2E,4E)-6-((3,5-di-tert-butylphenyl)(ethyl)amino)-...)
Show SMILES CCN(C\C=C\C(\C)=C\C(O)=O)c1cc(cc(c1)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C23H35NO2/c1-9-24(12-10-11-17(2)13-21(25)26)20-15-18(22(3,4)5)14-19(16-20)23(6,7)8/h10-11,13-16H,9,12H2,1-8H3,(H,25,26)/b11-10+,17-13+
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n/an/an/an/a 235n/an/an/an/a



Ligand Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Transactivation of RXRbeta in CV1 cells by cotransfection assay


Bioorg Med Chem Lett 16: 2352-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.003
BindingDB Entry DOI: 10.7270/Q2S75FW3
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50179119
PNG
((2E,4E)-6-((3,5-di-tert-butylphenyl)(ethyl)amino)-...)
Show SMILES CCN(C\C=C\C(\C)=C\C(O)=O)c1cc(cc(c1)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C23H35NO2/c1-9-24(12-10-11-17(2)13-21(25)26)20-15-18(22(3,4)5)14-19(16-20)23(6,7)8/h10-11,13-16H,9,12H2,1-8H3,(H,25,26)/b11-10+,17-13+
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PubMed
n/an/an/an/a 221n/an/an/an/a



Ligand Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Transactivation of RXRalpha in CV1 cells by cotransfection assay


Bioorg Med Chem Lett 16: 2352-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.003
BindingDB Entry DOI: 10.7270/Q2S75FW3
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-gamma


(Homo sapiens (Human))
BDBM50179119
PNG
((2E,4E)-6-((3,5-di-tert-butylphenyl)(ethyl)amino)-...)
Show SMILES CCN(C\C=C\C(\C)=C\C(O)=O)c1cc(cc(c1)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C23H35NO2/c1-9-24(12-10-11-17(2)13-21(25)26)20-15-18(22(3,4)5)14-19(16-20)23(6,7)8/h10-11,13-16H,9,12H2,1-8H3,(H,25,26)/b11-10+,17-13+
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Article
PubMed
n/an/an/an/a 231n/an/an/an/a



Ligand Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Transactivation of RXRgamma in CV1 cells by cotransfection assay


Bioorg Med Chem Lett 16: 2352-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.003
BindingDB Entry DOI: 10.7270/Q2S75FW3
More data for this
Ligand-Target Pair