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BDBM50064252 (2Z,4E,6E)-8-[3-Ethyl-2-isopropyl-cyclohex-2-en-(E)-ylidene]-3,7-dimethyl-octa-2,4,6-trienoic acid::CHEMBL44582

SMILES: CCC1=C(C(C)C)\C(CCC1)=C\C(\C)=C\C=C\C(\C)=C/C(O)=O

InChI Key: InChIKey=OZUIXDDSOLQKNK-KTBBHIKBSA-N

Data: 4 IC50  4 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 8 hits for monomerid = 50064252   
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 beta


(Mus musculus)
BDBM50064252
PNG
((2Z,4E,6E)-8-[3-Ethyl-2-isopropyl-cyclohex-2-en-(E...)
Show SMILES CCC1=C(C(C)C)\C(CCC1)=C\C(\C)=C\C=C\C(\C)=C/C(O)=O |c:2|
Show InChI InChI=1S/C21H30O2/c1-6-18-11-8-12-19(21(18)15(2)3)13-16(4)9-7-10-17(5)14-20(22)23/h7,9-10,13-15H,6,8,11-12H2,1-5H3,(H,22,23)/b10-7+,16-9+,17-14-,19-13+
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PubMed
n/an/a 371n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Inhibition of binding to retinoid A receptor RAR beta


J Med Chem 41: 1679-87 (1998)


Article DOI: 10.1021/jm970635h
BindingDB Entry DOI: 10.7270/Q20864F4
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha


(Mus musculus)
BDBM50064252
PNG
((2Z,4E,6E)-8-[3-Ethyl-2-isopropyl-cyclohex-2-en-(E...)
Show SMILES CCC1=C(C(C)C)\C(CCC1)=C\C(\C)=C\C=C\C(\C)=C/C(O)=O |c:2|
Show InChI InChI=1S/C21H30O2/c1-6-18-11-8-12-19(21(18)15(2)3)13-16(4)9-7-10-17(5)14-20(22)23/h7,9-10,13-15H,6,8,11-12H2,1-5H3,(H,22,23)/b10-7+,16-9+,17-14-,19-13+
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n/an/an/an/a 51n/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Transcriptional activation in CV-1 cells expressing retinoid A receptor RAR alpha


J Med Chem 41: 1679-87 (1998)


Article DOI: 10.1021/jm970635h
BindingDB Entry DOI: 10.7270/Q20864F4
More data for this
Ligand-Target Pair
Retinoid X receptor alpha


(Mus musculus)
BDBM50064252
PNG
((2Z,4E,6E)-8-[3-Ethyl-2-isopropyl-cyclohex-2-en-(E...)
Show SMILES CCC1=C(C(C)C)\C(CCC1)=C\C(\C)=C\C=C\C(\C)=C/C(O)=O |c:2|
Show InChI InChI=1S/C21H30O2/c1-6-18-11-8-12-19(21(18)15(2)3)13-16(4)9-7-10-17(5)14-20(22)23/h7,9-10,13-15H,6,8,11-12H2,1-5H3,(H,22,23)/b10-7+,16-9+,17-14-,19-13+
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n/an/an/an/a>2.00E+3n/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Transcriptional activation in CV-1 cells expressing retinoid X receptor RXR alpha


J Med Chem 41: 1679-87 (1998)


Article DOI: 10.1021/jm970635h
BindingDB Entry DOI: 10.7270/Q20864F4
More data for this
Ligand-Target Pair
Retinoid X receptor gamma


(Mus musculus)
BDBM50064252
PNG
((2Z,4E,6E)-8-[3-Ethyl-2-isopropyl-cyclohex-2-en-(E...)
Show SMILES CCC1=C(C(C)C)\C(CCC1)=C\C(\C)=C\C=C\C(\C)=C/C(O)=O |c:2|
Show InChI InChI=1S/C21H30O2/c1-6-18-11-8-12-19(21(18)15(2)3)13-16(4)9-7-10-17(5)14-20(22)23/h7,9-10,13-15H,6,8,11-12H2,1-5H3,(H,22,23)/b10-7+,16-9+,17-14-,19-13+
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n/an/an/an/a 42n/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Transcriptional activation in CV-1 cells expressing retinoid X receptor RXR gamma


J Med Chem 41: 1679-87 (1998)


Article DOI: 10.1021/jm970635h
BindingDB Entry DOI: 10.7270/Q20864F4
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha


(Mus musculus)
BDBM50064252
PNG
((2Z,4E,6E)-8-[3-Ethyl-2-isopropyl-cyclohex-2-en-(E...)
Show SMILES CCC1=C(C(C)C)\C(CCC1)=C\C(\C)=C\C=C\C(\C)=C/C(O)=O |c:2|
Show InChI InChI=1S/C21H30O2/c1-6-18-11-8-12-19(21(18)15(2)3)13-16(4)9-7-10-17(5)14-20(22)23/h7,9-10,13-15H,6,8,11-12H2,1-5H3,(H,22,23)/b10-7+,16-9+,17-14-,19-13+
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n/an/a 900n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Inhibition of binding to retinoid A receptor RAR alpha


J Med Chem 41: 1679-87 (1998)


Article DOI: 10.1021/jm970635h
BindingDB Entry DOI: 10.7270/Q20864F4
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Mus musculus)
BDBM50064252
PNG
((2Z,4E,6E)-8-[3-Ethyl-2-isopropyl-cyclohex-2-en-(E...)
Show SMILES CCC1=C(C(C)C)\C(CCC1)=C\C(\C)=C\C=C\C(\C)=C/C(O)=O |c:2|
Show InChI InChI=1S/C21H30O2/c1-6-18-11-8-12-19(21(18)15(2)3)13-16(4)9-7-10-17(5)14-20(22)23/h7,9-10,13-15H,6,8,11-12H2,1-5H3,(H,22,23)/b10-7+,16-9+,17-14-,19-13+
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n/an/a 708n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Inhibition of binding to retinoid A receptor RAR gamma


J Med Chem 41: 1679-87 (1998)


Article DOI: 10.1021/jm970635h
BindingDB Entry DOI: 10.7270/Q20864F4
More data for this
Ligand-Target Pair
Retinoic acid receptor beta


(Mus musculus)
BDBM50064252
PNG
((2Z,4E,6E)-8-[3-Ethyl-2-isopropyl-cyclohex-2-en-(E...)
Show SMILES CCC1=C(C(C)C)\C(CCC1)=C\C(\C)=C\C=C\C(\C)=C/C(O)=O |c:2|
Show InChI InChI=1S/C21H30O2/c1-6-18-11-8-12-19(21(18)15(2)3)13-16(4)9-7-10-17(5)14-20(22)23/h7,9-10,13-15H,6,8,11-12H2,1-5H3,(H,22,23)/b10-7+,16-9+,17-14-,19-13+
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PubMed
n/an/an/an/a 150n/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Transcriptional activation in CV-1 cells expressing retinoid A receptor RAR beta


J Med Chem 41: 1679-87 (1998)


Article DOI: 10.1021/jm970635h
BindingDB Entry DOI: 10.7270/Q20864F4
More data for this
Ligand-Target Pair
Retinoid X receptor alpha


(Mus musculus)
BDBM50064252
PNG
((2Z,4E,6E)-8-[3-Ethyl-2-isopropyl-cyclohex-2-en-(E...)
Show SMILES CCC1=C(C(C)C)\C(CCC1)=C\C(\C)=C\C=C\C(\C)=C/C(O)=O |c:2|
Show InChI InChI=1S/C21H30O2/c1-6-18-11-8-12-19(21(18)15(2)3)13-16(4)9-7-10-17(5)14-20(22)23/h7,9-10,13-15H,6,8,11-12H2,1-5H3,(H,22,23)/b10-7+,16-9+,17-14-,19-13+
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PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Inhibition of binding to retinoid X receptor RXR alpha


J Med Chem 41: 1679-87 (1998)


Article DOI: 10.1021/jm970635h
BindingDB Entry DOI: 10.7270/Q20864F4
More data for this
Ligand-Target Pair