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SMILES: CCCOc1c(cc(cc1\C(C)=C/C=C/C(/C)=C/C(O)=O)C(F)(F)C(F)(F)F)C(C)C

InChI Key: InChIKey=CBZASUFZCYJPCI-ZHOIUTETSA-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 9 hits for monomerid = 50135454   
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))		BDBM50135454
PNG
((2E,4E,6Z)-7-(3-Isopropyl-5-pentafluoroethyl-2-pro...)
Show SMILES CCCOc1c(cc(cc1\C(C)=C/C=C/C(/C)=C/C(O)=O)C(F)(F)C(F)(F)F)C(C)C
Show InChI InChI=1S/C23H27F5O3/c1-6-10-31-21-18(14(2)3)12-17(22(24,25)23(26,27)28)13-19(21)16(5)9-7-8-15(4)11-20(29)30/h7-9,11-14H,6,10H2,1-5H3,(H,29,30)/b8-7+,15-11+,16-9-
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 17n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-9-cis-RA from RXR beta receptor in CV-1 cells

Bioorg Med Chem Lett 13: 4071-5 (2003)


BindingDB Entry DOI: 10.7270/Q2V987GP
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))		BDBM50135454
PNG
((2E,4E,6Z)-7-(3-Isopropyl-5-pentafluoroethyl-2-pro...)
Show SMILES CCCOc1c(cc(cc1\C(C)=C/C=C/C(/C)=C/C(O)=O)C(F)(F)C(F)(F)F)C(C)C
Show InChI InChI=1S/C23H27F5O3/c1-6-10-31-21-18(14(2)3)12-17(22(24,25)23(26,27)28)13-19(21)16(5)9-7-8-15(4)11-20(29)30/h7-9,11-14H,6,10H2,1-5H3,(H,29,30)/b8-7+,15-11+,16-9-
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 26n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity against RXR alpha receptor using [3H]-9-cis-RA as radioligand in CV-1 cells

Bioorg Med Chem Lett 13: 4071-5 (2003)


BindingDB Entry DOI: 10.7270/Q2V987GP
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-gamma


(Homo sapiens (Human))		BDBM50135454
PNG
((2E,4E,6Z)-7-(3-Isopropyl-5-pentafluoroethyl-2-pro...)
Show SMILES CCCOc1c(cc(cc1\C(C)=C/C=C/C(/C)=C/C(O)=O)C(F)(F)C(F)(F)F)C(C)C
Show InChI InChI=1S/C23H27F5O3/c1-6-10-31-21-18(14(2)3)12-17(22(24,25)23(26,27)28)13-19(21)16(5)9-7-8-15(4)11-20(29)30/h7-9,11-14H,6,10H2,1-5H3,(H,29,30)/b8-7+,15-11+,16-9-
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 28n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity against RXR gamma receptor using [3H]-9-cis-RA as radioligand in CV-1 cells

Bioorg Med Chem Lett 13: 4071-5 (2003)


BindingDB Entry DOI: 10.7270/Q2V987GP
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))		BDBM50135454
PNG
((2E,4E,6Z)-7-(3-Isopropyl-5-pentafluoroethyl-2-pro...)
Show SMILES CCCOc1c(cc(cc1\C(C)=C/C=C/C(/C)=C/C(O)=O)C(F)(F)C(F)(F)F)C(C)C
Show InChI InChI=1S/C23H27F5O3/c1-6-10-31-21-18(14(2)3)12-17(22(24,25)23(26,27)28)13-19(21)16(5)9-7-8-15(4)11-20(29)30/h7-9,11-14H,6,10H2,1-5H3,(H,29,30)/b8-7+,15-11+,16-9-
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>1.00E+3n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity against RAR gamma receptor using [3H]-ATRA as radioligand in CV-1 cells

Bioorg Med Chem Lett 13: 4071-5 (2003)


BindingDB Entry DOI: 10.7270/Q2V987GP
More data for this
Ligand-Target Pair
Retinoic acid receptor beta


(Homo sapiens (Human))		BDBM50135454
PNG
((2E,4E,6Z)-7-(3-Isopropyl-5-pentafluoroethyl-2-pro...)
Show SMILES CCCOc1c(cc(cc1\C(C)=C/C=C/C(/C)=C/C(O)=O)C(F)(F)C(F)(F)F)C(C)C
Show InChI InChI=1S/C23H27F5O3/c1-6-10-31-21-18(14(2)3)12-17(22(24,25)23(26,27)28)13-19(21)16(5)9-7-8-15(4)11-20(29)30/h7-9,11-14H,6,10H2,1-5H3,(H,29,30)/b8-7+,15-11+,16-9-
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 1.98E+3n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity against RAR beta receptor using [3H]-ATRA as radioligand in CV-1 cells

Bioorg Med Chem Lett 13: 4071-5 (2003)


BindingDB Entry DOI: 10.7270/Q2V987GP
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha


(Homo sapiens (Human))		BDBM50135454
PNG
((2E,4E,6Z)-7-(3-Isopropyl-5-pentafluoroethyl-2-pro...)
Show SMILES CCCOc1c(cc(cc1\C(C)=C/C=C/C(/C)=C/C(O)=O)C(F)(F)C(F)(F)F)C(C)C
Show InChI InChI=1S/C23H27F5O3/c1-6-10-31-21-18(14(2)3)12-17(22(24,25)23(26,27)28)13-19(21)16(5)9-7-8-15(4)11-20(29)30/h7-9,11-14H,6,10H2,1-5H3,(H,29,30)/b8-7+,15-11+,16-9-
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 2.50E+3n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity against RAR alpha receptor using [3H]-ATRA as radioligand in CV-1 cells

Bioorg Med Chem Lett 13: 4071-5 (2003)


BindingDB Entry DOI: 10.7270/Q2V987GP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50135454
PNG
((2E,4E,6Z)-7-(3-Isopropyl-5-pentafluoroethyl-2-pro...)
Show SMILES CCCOc1c(cc(cc1\C(C)=C/C=C/C(/C)=C/C(O)=O)C(F)(F)C(F)(F)F)C(C)C
Show InChI InChI=1S/C23H27F5O3/c1-6-10-31-21-18(14(2)3)12-17(22(24,25)23(26,27)28)13-19(21)16(5)9-7-8-15(4)11-20(29)30/h7-9,11-14H,6,10H2,1-5H3,(H,29,30)/b8-7+,15-11+,16-9-
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n/an/an/an/a 2.70n/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
In vitro agonistic activity against PPAR gamma along with 100 nM BRL49653

Bioorg Med Chem Lett 13: 4071-5 (2003)


BindingDB Entry DOI: 10.7270/Q2V987GP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50135454
PNG
((2E,4E,6Z)-7-(3-Isopropyl-5-pentafluoroethyl-2-pro...)
Show SMILES CCCOc1c(cc(cc1\C(C)=C/C=C/C(/C)=C/C(O)=O)C(F)(F)C(F)(F)F)C(C)C
Show InChI InChI=1S/C23H27F5O3/c1-6-10-31-21-18(14(2)3)12-17(22(24,25)23(26,27)28)13-19(21)16(5)9-7-8-15(4)11-20(29)30/h7-9,11-14H,6,10H2,1-5H3,(H,29,30)/b8-7+,15-11+,16-9-
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n/an/an/an/a 59n/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
In vitro agonist efficacy against PPAR gamma along with 100 nM BRL49653

Bioorg Med Chem Lett 13: 4071-5 (2003)


BindingDB Entry DOI: 10.7270/Q2V987GP
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))		BDBM50135454
PNG
((2E,4E,6Z)-7-(3-Isopropyl-5-pentafluoroethyl-2-pro...)
Show SMILES CCCOc1c(cc(cc1\C(C)=C/C=C/C(/C)=C/C(O)=O)C(F)(F)C(F)(F)F)C(C)C
Show InChI InChI=1S/C23H27F5O3/c1-6-10-31-21-18(14(2)3)12-17(22(24,25)23(26,27)28)13-19(21)16(5)9-7-8-15(4)11-20(29)30/h7-9,11-14H,6,10H2,1-5H3,(H,29,30)/b8-7+,15-11+,16-9-
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n/an/a 5.10n/an/an/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
In vitro anatagonist activity against RXR alpha in CV-1 cells

Bioorg Med Chem Lett 13: 4071-5 (2003)


BindingDB Entry DOI: 10.7270/Q2V987GP
More data for this
Ligand-Target Pair