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BDBM50179114 (2E,4E)-6-((3,5-di-tert-butylphenyl)(propyl)amino)-3-methylhexa-2,4-dienoic acid::CHEMBL379057

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

InChI Key: InChIKey=NJUNLFLTZKMXMQ-NJESZQPCSA-N

Data: 3 KI  3 EC50

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 = 50179114   
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))
BDBM50179114
PNG
((2E,4E)-6-((3,5-di-tert-butylphenyl)(propyl)amino)...)
Show SMILES CCCN(C\C=C\C(\C)=C\C(O)=O)c1cc(cc(c1)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C24H37NO2/c1-9-12-25(13-10-11-18(2)14-22(26)27)21-16-19(23(3,4)5)15-20(17-21)24(6,7)8/h10-11,14-17H,9,12-13H2,1-8H3,(H,26,27)/b11-10+,18-14+
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17n/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
Retinoid receptor


(Homo sapiens (Human))
BDBM50179114
PNG
((2E,4E)-6-((3,5-di-tert-butylphenyl)(propyl)amino)...)
Show SMILES CCCN(C\C=C\C(\C)=C\C(O)=O)c1cc(cc(c1)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C24H37NO2/c1-9-12-25(13-10-11-18(2)14-22(26)27)21-16-19(23(3,4)5)15-20(17-21)24(6,7)8/h10-11,14-17H,9,12-13H2,1-8H3,(H,26,27)/b11-10+,18-14+
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34n/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
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50179114
PNG
((2E,4E)-6-((3,5-di-tert-butylphenyl)(propyl)amino)...)
Show SMILES CCCN(C\C=C\C(\C)=C\C(O)=O)c1cc(cc(c1)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C24H37NO2/c1-9-12-25(13-10-11-18(2)14-22(26)27)21-16-19(23(3,4)5)15-20(17-21)24(6,7)8/h10-11,14-17H,9,12-13H2,1-8H3,(H,26,27)/b11-10+,18-14+
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38n/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
Retinoid receptor


(Homo sapiens (Human))
BDBM50179114
PNG
((2E,4E)-6-((3,5-di-tert-butylphenyl)(propyl)amino)...)
Show SMILES CCCN(C\C=C\C(\C)=C\C(O)=O)c1cc(cc(c1)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C24H37NO2/c1-9-12-25(13-10-11-18(2)14-22(26)27)21-16-19(23(3,4)5)15-20(17-21)24(6,7)8/h10-11,14-17H,9,12-13H2,1-8H3,(H,26,27)/b11-10+,18-14+
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n/an/an/an/a 69n/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))
BDBM50179114
PNG
((2E,4E)-6-((3,5-di-tert-butylphenyl)(propyl)amino)...)
Show SMILES CCCN(C\C=C\C(\C)=C\C(O)=O)c1cc(cc(c1)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C24H37NO2/c1-9-12-25(13-10-11-18(2)14-22(26)27)21-16-19(23(3,4)5)15-20(17-21)24(6,7)8/h10-11,14-17H,9,12-13H2,1-8H3,(H,26,27)/b11-10+,18-14+
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PubMed
n/an/an/an/a 99n/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
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50179114
PNG
((2E,4E)-6-((3,5-di-tert-butylphenyl)(propyl)amino)...)
Show SMILES CCCN(C\C=C\C(\C)=C\C(O)=O)c1cc(cc(c1)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C24H37NO2/c1-9-12-25(13-10-11-18(2)14-22(26)27)21-16-19(23(3,4)5)15-20(17-21)24(6,7)8/h10-11,14-17H,9,12-13H2,1-8H3,(H,26,27)/b11-10+,18-14+
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Article
PubMed
n/an/an/an/a 63n/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