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BDBM50287964 (E)-3-Methyl-5-[2-methyl-2-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-cyclopropyl]-penta-2,4-dienoic acid::CHEMBL308883

SMILES: C\C(\C=C\C1CC1(C)c1cc2c(cc1C)C(C)(C)CCC2(C)C)=C/C(O)=O

InChI Key: InChIKey=HMDVFKHLXNHBGR-LFZNACJFSA-N

Data: 6 Kd  6 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 12 hits for monomerid = 50287964   
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
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50287964
PNG
((E)-3-Methyl-5-[2-methyl-2-(3,5,5,8,8-pentamethyl-...)
Show SMILES C\C(\C=C\C1CC1(C)c1cc2c(cc1C)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C25H34O2/c1-16(12-22(26)27)8-9-18-15-25(18,7)19-14-21-20(13-17(19)2)23(3,4)10-11-24(21,5)6/h8-9,12-14,18H,10-11,15H2,1-7H3,(H,26,27)/b9-8+,16-12+
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n/an/an/an/a>1.00E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for functional activity in CV-1 cells transfected with an expression vector for retinoic acid receptor alpha using transactivatio...


Bioorg Med Chem Lett 6: 213-218 (1996)


Article DOI: 10.1016/0960-894X(95)00588-K
BindingDB Entry DOI: 10.7270/Q2BC3ZHZ
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50287964
PNG
((E)-3-Methyl-5-[2-methyl-2-(3,5,5,8,8-pentamethyl-...)
Show SMILES C\C(\C=C\C1CC1(C)c1cc2c(cc1C)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C25H34O2/c1-16(12-22(26)27)8-9-18-15-25(18,7)19-14-21-20(13-17(19)2)23(3,4)10-11-24(21,5)6/h8-9,12-14,18H,10-11,15H2,1-7H3,(H,26,27)/b9-8+,16-12+
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TBA

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against retinoic acid receptor using 5 nM of [3H]-RA as a radioligand in baculovirus expressed receptor


Bioorg Med Chem Lett 6: 213-218 (1996)


Article DOI: 10.1016/0960-894X(95)00588-K
BindingDB Entry DOI: 10.7270/Q2BC3ZHZ
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50287964
PNG
((E)-3-Methyl-5-[2-methyl-2-(3,5,5,8,8-pentamethyl-...)
Show SMILES C\C(\C=C\C1CC1(C)c1cc2c(cc1C)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C25H34O2/c1-16(12-22(26)27)8-9-18-15-25(18,7)19-14-21-20(13-17(19)2)23(3,4)10-11-24(21,5)6/h8-9,12-14,18H,10-11,15H2,1-7H3,(H,26,27)/b9-8+,16-12+
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n/an/an/an/a 71n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for functional activity in CV-1 cells transfected with an expression vector for retinoid X receptor gamma using transactivation a...


Bioorg Med Chem Lett 6: 213-218 (1996)


Article DOI: 10.1016/0960-894X(95)00588-K
BindingDB Entry DOI: 10.7270/Q2BC3ZHZ
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50287964
PNG
((E)-3-Methyl-5-[2-methyl-2-(3,5,5,8,8-pentamethyl-...)
Show SMILES C\C(\C=C\C1CC1(C)c1cc2c(cc1C)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C25H34O2/c1-16(12-22(26)27)8-9-18-15-25(18,7)19-14-21-20(13-17(19)2)23(3,4)10-11-24(21,5)6/h8-9,12-14,18H,10-11,15H2,1-7H3,(H,26,27)/b9-8+,16-12+
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n/an/an/a>1.00E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against retinoic acid receptor using 5 nM of [3H]-RA as a radioligand in baculovirus expressed receptor


Bioorg Med Chem Lett 6: 213-218 (1996)


Article DOI: 10.1016/0960-894X(95)00588-K
BindingDB Entry DOI: 10.7270/Q2BC3ZHZ
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50287964
PNG
((E)-3-Methyl-5-[2-methyl-2-(3,5,5,8,8-pentamethyl-...)
Show SMILES C\C(\C=C\C1CC1(C)c1cc2c(cc1C)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C25H34O2/c1-16(12-22(26)27)8-9-18-15-25(18,7)19-14-21-20(13-17(19)2)23(3,4)10-11-24(21,5)6/h8-9,12-14,18H,10-11,15H2,1-7H3,(H,26,27)/b9-8+,16-12+
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n/an/an/a 71n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against retinoid X receptor using 5 nM of [3H]-9-cis-RA as a radioligand in baculovirus expressed receptor


Bioorg Med Chem Lett 6: 213-218 (1996)


Article DOI: 10.1016/0960-894X(95)00588-K
BindingDB Entry DOI: 10.7270/Q2BC3ZHZ
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/gamma


(Homo sapiens (Human))
BDBM50287964
PNG
((E)-3-Methyl-5-[2-methyl-2-(3,5,5,8,8-pentamethyl-...)
Show SMILES C\C(\C=C\C1CC1(C)c1cc2c(cc1C)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C25H34O2/c1-16(12-22(26)27)8-9-18-15-25(18,7)19-14-21-20(13-17(19)2)23(3,4)10-11-24(21,5)6/h8-9,12-14,18H,10-11,15H2,1-7H3,(H,26,27)/b9-8+,16-12+
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n/an/an/an/a>1.00E+3n/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 6: 213-218 (1996)


Article DOI: 10.1016/0960-894X(95)00588-K
BindingDB Entry DOI: 10.7270/Q2BC3ZHZ
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha/Retinoid X receptor alpha


(Homo sapiens (Human))
BDBM50287964
PNG
((E)-3-Methyl-5-[2-methyl-2-(3,5,5,8,8-pentamethyl-...)
Show SMILES C\C(\C=C\C1CC1(C)c1cc2c(cc1C)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C25H34O2/c1-16(12-22(26)27)8-9-18-15-25(18,7)19-14-21-20(13-17(19)2)23(3,4)10-11-24(21,5)6/h8-9,12-14,18H,10-11,15H2,1-7H3,(H,26,27)/b9-8+,16-12+
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n/an/an/a>1.00E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against retinoid X receptor using 5 nM of [3H]-9-cis-RA as a radioligand in baculovirus expressed receptor


Bioorg Med Chem Lett 6: 213-218 (1996)


Article DOI: 10.1016/0960-894X(95)00588-K
BindingDB Entry DOI: 10.7270/Q2BC3ZHZ
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM50287964
PNG
((E)-3-Methyl-5-[2-methyl-2-(3,5,5,8,8-pentamethyl-...)
Show SMILES C\C(\C=C\C1CC1(C)c1cc2c(cc1C)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C25H34O2/c1-16(12-22(26)27)8-9-18-15-25(18,7)19-14-21-20(13-17(19)2)23(3,4)10-11-24(21,5)6/h8-9,12-14,18H,10-11,15H2,1-7H3,(H,26,27)/b9-8+,16-12+
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n/an/an/an/a>1.00E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against retinoid X receptor using 5 nM of [3H]-9-cis-RA as a radioligand in baculovirus expressed receptor


Bioorg Med Chem Lett 6: 213-218 (1996)


Article DOI: 10.1016/0960-894X(95)00588-K
BindingDB Entry DOI: 10.7270/Q2BC3ZHZ
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50287964
PNG
((E)-3-Methyl-5-[2-methyl-2-(3,5,5,8,8-pentamethyl-...)
Show SMILES C\C(\C=C\C1CC1(C)c1cc2c(cc1C)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C25H34O2/c1-16(12-22(26)27)8-9-18-15-25(18,7)19-14-21-20(13-17(19)2)23(3,4)10-11-24(21,5)6/h8-9,12-14,18H,10-11,15H2,1-7H3,(H,26,27)/b9-8+,16-12+
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n/an/an/a 56n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against retinoid X receptor using 5 nM of [3H]-9-cis-RA as a radioligand in baculovirus expressed receptor


Bioorg Med Chem Lett 6: 213-218 (1996)


Article DOI: 10.1016/0960-894X(95)00588-K
BindingDB Entry DOI: 10.7270/Q2BC3ZHZ
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50287964
PNG
((E)-3-Methyl-5-[2-methyl-2-(3,5,5,8,8-pentamethyl-...)
Show SMILES C\C(\C=C\C1CC1(C)c1cc2c(cc1C)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C25H34O2/c1-16(12-22(26)27)8-9-18-15-25(18,7)19-14-21-20(13-17(19)2)23(3,4)10-11-24(21,5)6/h8-9,12-14,18H,10-11,15H2,1-7H3,(H,26,27)/b9-8+,16-12+
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n/an/an/a 42n/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 6: 213-218 (1996)


Article DOI: 10.1016/0960-894X(95)00588-K
BindingDB Entry DOI: 10.7270/Q2BC3ZHZ
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50287964
PNG
((E)-3-Methyl-5-[2-methyl-2-(3,5,5,8,8-pentamethyl-...)
Show SMILES C\C(\C=C\C1CC1(C)c1cc2c(cc1C)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C25H34O2/c1-16(12-22(26)27)8-9-18-15-25(18,7)19-14-21-20(13-17(19)2)23(3,4)10-11-24(21,5)6/h8-9,12-14,18H,10-11,15H2,1-7H3,(H,26,27)/b9-8+,16-12+
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n/an/an/an/a 130n/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 6: 213-218 (1996)


Article DOI: 10.1016/0960-894X(95)00588-K
BindingDB Entry DOI: 10.7270/Q2BC3ZHZ
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50287964
PNG
((E)-3-Methyl-5-[2-methyl-2-(3,5,5,8,8-pentamethyl-...)
Show SMILES C\C(\C=C\C1CC1(C)c1cc2c(cc1C)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C25H34O2/c1-16(12-22(26)27)8-9-18-15-25(18,7)19-14-21-20(13-17(19)2)23(3,4)10-11-24(21,5)6/h8-9,12-14,18H,10-11,15H2,1-7H3,(H,26,27)/b9-8+,16-12+
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n/an/an/an/a 100n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for functional activity in CV-1 cells transfected with an expression vector for retinoid X receptor beta using transactivation as...


Bioorg Med Chem Lett 6: 213-218 (1996)


Article DOI: 10.1016/0960-894X(95)00588-K
BindingDB Entry DOI: 10.7270/Q2BC3ZHZ
More data for this
Ligand-Target Pair