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BDBM50135450 (2E,4E,6Z)-7-[4-(2,2-Difluoro-ethoxy)-2'-fluoro-5-isopropyl-biphenyl-3-yl]-3-methyl-octa-2,4,6-trienoic acid::CHEMBL422088

SMILES: CC(C)c1cc(cc(\C(C)=C/C=C/C(/C)=C/C(O)=O)c1OCC(F)F)-c1ccccc1F

InChI Key: InChIKey=PHZXUKHBCDQECD-PVINZEOUSA-N

Data: 6 KI  1 IC50  2 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 9 hits for monomerid = 50135450   
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))		BDBM50135450
PNG
((2E,4E,6Z)-7-[4-(2,2-Difluoro-ethoxy)-2'-fluoro-5-...)
Show SMILES CC(C)c1cc(cc(\C(C)=C/C=C/C(/C)=C/C(O)=O)c1OCC(F)F)-c1ccccc1F
Show InChI InChI=1S/C26H27F3O3/c1-16(2)21-13-19(20-10-5-6-11-23(20)27)14-22(26(21)32-15-24(28)29)18(4)9-7-8-17(3)12-25(30)31/h5-14,16,24H,15H2,1-4H3,(H,30,31)/b8-7+,17-12+,18-9-
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 2.30n/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
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))		BDBM50135450
PNG
((2E,4E,6Z)-7-[4-(2,2-Difluoro-ethoxy)-2'-fluoro-5-...)
Show SMILES CC(C)c1cc(cc(\C(C)=C/C=C/C(/C)=C/C(O)=O)c1OCC(F)F)-c1ccccc1F
Show InChI InChI=1S/C26H27F3O3/c1-16(2)21-13-19(20-10-5-6-11-23(20)27)14-22(26(21)32-15-24(28)29)18(4)9-7-8-17(3)12-25(30)31/h5-14,16,24H,15H2,1-4H3,(H,30,31)/b8-7+,17-12+,18-9-
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 11n/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
Retinoid receptor


(Homo sapiens (Human))		BDBM50135450
PNG
((2E,4E,6Z)-7-[4-(2,2-Difluoro-ethoxy)-2'-fluoro-5-...)
Show SMILES CC(C)c1cc(cc(\C(C)=C/C=C/C(/C)=C/C(O)=O)c1OCC(F)F)-c1ccccc1F
Show InChI InChI=1S/C26H27F3O3/c1-16(2)21-13-19(20-10-5-6-11-23(20)27)14-22(26(21)32-15-24(28)29)18(4)9-7-8-17(3)12-25(30)31/h5-14,16,24H,15H2,1-4H3,(H,30,31)/b8-7+,17-12+,18-9-
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 16n/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
Retinoid receptor


(Homo sapiens (Human))		BDBM50135450
PNG
((2E,4E,6Z)-7-[4-(2,2-Difluoro-ethoxy)-2'-fluoro-5-...)
Show SMILES CC(C)c1cc(cc(\C(C)=C/C=C/C(/C)=C/C(O)=O)c1OCC(F)F)-c1ccccc1F
Show InChI InChI=1S/C26H27F3O3/c1-16(2)21-13-19(20-10-5-6-11-23(20)27)14-22(26(21)32-15-24(28)29)18(4)9-7-8-17(3)12-25(30)31/h5-14,16,24H,15H2,1-4H3,(H,30,31)/b8-7+,17-12+,18-9-
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 3.93E+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
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))		BDBM50135450
PNG
((2E,4E,6Z)-7-[4-(2,2-Difluoro-ethoxy)-2'-fluoro-5-...)
Show SMILES CC(C)c1cc(cc(\C(C)=C/C=C/C(/C)=C/C(O)=O)c1OCC(F)F)-c1ccccc1F
Show InChI InChI=1S/C26H27F3O3/c1-16(2)21-13-19(20-10-5-6-11-23(20)27)14-22(26(21)32-15-24(28)29)18(4)9-7-8-17(3)12-25(30)31/h5-14,16,24H,15H2,1-4H3,(H,30,31)/b8-7+,17-12+,18-9-
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 6.76E+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
Retinoid receptor


(Homo sapiens (Human))		BDBM50135450
PNG
((2E,4E,6Z)-7-[4-(2,2-Difluoro-ethoxy)-2'-fluoro-5-...)
Show SMILES CC(C)c1cc(cc(\C(C)=C/C=C/C(/C)=C/C(O)=O)c1OCC(F)F)-c1ccccc1F
Show InChI InChI=1S/C26H27F3O3/c1-16(2)21-13-19(20-10-5-6-11-23(20)27)14-22(26(21)32-15-24(28)29)18(4)9-7-8-17(3)12-25(30)31/h5-14,16,24H,15H2,1-4H3,(H,30,31)/b8-7+,17-12+,18-9-
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 8.76E+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 RXR-alpha


(Homo sapiens (Human))		BDBM50135450
PNG
((2E,4E,6Z)-7-[4-(2,2-Difluoro-ethoxy)-2'-fluoro-5-...)
Show SMILES CC(C)c1cc(cc(\C(C)=C/C=C/C(/C)=C/C(O)=O)c1OCC(F)F)-c1ccccc1F
Show InChI InChI=1S/C26H27F3O3/c1-16(2)21-13-19(20-10-5-6-11-23(20)27)14-22(26(21)32-15-24(28)29)18(4)9-7-8-17(3)12-25(30)31/h5-14,16,24H,15H2,1-4H3,(H,30,31)/b8-7+,17-12+,18-9-
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n/an/a 3.10n/an/an/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
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))		BDBM50135450
PNG
((2E,4E,6Z)-7-[4-(2,2-Difluoro-ethoxy)-2'-fluoro-5-...)
Show SMILES CC(C)c1cc(cc(\C(C)=C/C=C/C(/C)=C/C(O)=O)c1OCC(F)F)-c1ccccc1F
Show InChI InChI=1S/C26H27F3O3/c1-16(2)21-13-19(20-10-5-6-11-23(20)27)14-22(26(21)32-15-24(28)29)18(4)9-7-8-17(3)12-25(30)31/h5-14,16,24H,15H2,1-4H3,(H,30,31)/b8-7+,17-12+,18-9-
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n/an/an/an/a 46n/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
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))		BDBM50135450
PNG
((2E,4E,6Z)-7-[4-(2,2-Difluoro-ethoxy)-2'-fluoro-5-...)
Show SMILES CC(C)c1cc(cc(\C(C)=C/C=C/C(/C)=C/C(O)=O)c1OCC(F)F)-c1ccccc1F
Show InChI InChI=1S/C26H27F3O3/c1-16(2)21-13-19(20-10-5-6-11-23(20)27)14-22(26(21)32-15-24(28)29)18(4)9-7-8-17(3)12-25(30)31/h5-14,16,24H,15H2,1-4H3,(H,30,31)/b8-7+,17-12+,18-9-
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n/an/an/an/a 0.400n/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
In vitro agonistic 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