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Compile Data Set for Download or QSAR

Found 276 hits with Last Name = 'croston' and Initial = 'ge'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Retinoid receptor


(Homo sapiens (Human))
BDBM50052588
PNG
((2E,4E,6Z)-7-(3-Methoxy-5,5,8,8-tetramethyl-5,6,7,...)
Show SMILES COc1cc2c(cc1\C(C)=C/C=C/C(/C)=C/C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H32O3/c1-16(13-22(25)26)9-8-10-17(2)18-14-19-20(15-21(18)27-7)24(5,6)12-11-23(19,3)4/h8-10,13-15H,11-12H2,1-7H3,(H,25,26)/b9-8+,16-13+,17-10-
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2n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Targretin binding to Retinoid X receptor RXR beta


J Med Chem 39: 3229-34 (1996)


Article DOI: 10.1021/jm960311d
BindingDB Entry DOI: 10.7270/Q2ZW1K14
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50052588
PNG
((2E,4E,6Z)-7-(3-Methoxy-5,5,8,8-tetramethyl-5,6,7,...)
Show SMILES COc1cc2c(cc1\C(C)=C/C=C/C(/C)=C/C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H32O3/c1-16(13-22(25)26)9-8-10-17(2)18-14-19-20(15-21(18)27-7)24(5,6)12-11-23(19,3)4/h8-10,13-15H,11-12H2,1-7H3,(H,25,26)/b9-8+,16-13+,17-10-
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2n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Targretin binding to Retinoid X receptor RXR alpha


J Med Chem 39: 3229-34 (1996)


Article DOI: 10.1021/jm960311d
BindingDB Entry DOI: 10.7270/Q2ZW1K14
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50290187
PNG
((2E,4E)-3-Methyl-5-[(1R,2S)-2-(5,5,8,8-tetramethyl...)
Show SMILES C\C(\C=C\[C@H]1CCC[C@@H]1c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C25H34O2/c1-17(15-23(26)27)9-10-18-7-6-8-20(18)19-11-12-21-22(16-19)25(4,5)14-13-24(21,2)3/h9-12,15-16,18,20H,6-8,13-14H2,1-5H3,(H,26,27)/b10-9+,17-15+/t18-,20+/m1/s1
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3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-9-cis-RA binding to Retinoid X receptor RXR alpha


Bioorg Med Chem Lett 7: 2393-2398 (1997)


Article DOI: 10.1016/S0960-894X(97)00437-X
BindingDB Entry DOI: 10.7270/Q2FB52XX
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50290192
PNG
(3-Methyl-5-[5-(5,5,8,8-tetramethyl-5,6,7,8-tetrahy...)
Show SMILES C\C(\C=C\[C@]12CC1(CCC2)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C26H34O2/c1-18(15-22(27)28)9-12-25-10-6-11-26(25,17-25)19-7-8-20-21(16-19)24(4,5)14-13-23(20,2)3/h7-9,12,15-16H,6,10-11,13-14,17H2,1-5H3,(H,27,28)/b12-9+,18-15+/t25-,26?/m1/s1
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3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-9-cis-RA binding to Retinoid X receptor RXR alpha


Bioorg Med Chem Lett 7: 2393-2398 (1997)


Article DOI: 10.1016/S0960-894X(97)00437-X
BindingDB Entry DOI: 10.7270/Q2FB52XX
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50290188
PNG
((2E,4E)-3-Methyl-5-[(1S,2R)-1-methyl-2-(5,5,8,8-te...)
Show SMILES C\C(\C=C\[C@]1(C)CCC[C@@H]1c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C26H36O2/c1-18(16-23(27)28)11-13-26(6)12-7-8-20(26)19-9-10-21-22(17-19)25(4,5)15-14-24(21,2)3/h9-11,13,16-17,20H,7-8,12,14-15H2,1-6H3,(H,27,28)/b13-11+,18-16+/t20-,26+/m1/s1
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4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-9-cis-RA binding to Retinoid X receptor RXR alpha


Bioorg Med Chem Lett 7: 2393-2398 (1997)


Article DOI: 10.1016/S0960-894X(97)00437-X
BindingDB Entry DOI: 10.7270/Q2FB52XX
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50052590
PNG
((2E,4E,6Z)-7-(3-Ethoxy-5,5,8,8-tetramethyl-5,6,7,8...)
Show SMILES CCOc1cc2c(cc1\C(C)=C/C=C/C(/C)=C/C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C25H34O3/c1-8-28-22-16-21-20(24(4,5)12-13-25(21,6)7)15-19(22)18(3)11-9-10-17(2)14-23(26)27/h9-11,14-16H,8,12-13H2,1-7H3,(H,26,27)/b10-9+,17-14+,18-11-
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4n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Targretin binding to Retinoid X receptor RXR alpha


J Med Chem 39: 3229-34 (1996)


Article DOI: 10.1021/jm960311d
BindingDB Entry DOI: 10.7270/Q2ZW1K14
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50290186
PNG
((2E,4E)-3-Methyl-5-[(1R,2R)-1-methyl-2-(5,5,8,8-te...)
Show SMILES C\C(\C=C\[C@@]1(C)CCC[C@@H]1c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C26H36O2/c1-18(16-23(27)28)11-13-26(6)12-7-8-20(26)19-9-10-21-22(17-19)25(4,5)15-14-24(21,2)3/h9-11,13,16-17,20H,7-8,12,14-15H2,1-6H3,(H,27,28)/b13-11+,18-16+/t20-,26-/m1/s1
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4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-9-cis-RA binding to Retinoid X receptor RXR alpha


Bioorg Med Chem Lett 7: 2393-2398 (1997)


Article DOI: 10.1016/S0960-894X(97)00437-X
BindingDB Entry DOI: 10.7270/Q2FB52XX
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50052588
PNG
((2E,4E,6Z)-7-(3-Methoxy-5,5,8,8-tetramethyl-5,6,7,...)
Show SMILES COc1cc2c(cc1\C(C)=C/C=C/C(/C)=C/C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H32O3/c1-16(13-22(25)26)9-8-10-17(2)18-14-19-20(15-21(18)27-7)24(5,6)12-11-23(19,3)4/h8-10,13-15H,11-12H2,1-7H3,(H,25,26)/b9-8+,16-13+,17-10-
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4n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Targretin binding to Retinoid X receptor RXR gamma


J Med Chem 39: 3229-34 (1996)


Article DOI: 10.1021/jm960311d
BindingDB Entry DOI: 10.7270/Q2ZW1K14
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50290193
PNG
(3-Methyl-5-[2-(3,5,5,8,8-pentamethyl-5,6,7,8-tetra...)
Show SMILES C\C(\C=C\C1=C(CCC1)c1cc2c(cc1C)C(C)(C)CCC2(C)C)=C/C(O)=O |t:4|
Show InChI InChI=1S/C26H34O2/c1-17(14-24(27)28)10-11-19-8-7-9-20(19)21-16-23-22(15-18(21)2)25(3,4)12-13-26(23,5)6/h10-11,14-16H,7-9,12-13H2,1-6H3,(H,27,28)/b11-10+,17-14+
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5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-9-cis-RA binding to Retinoid X receptor RXR alpha


Bioorg Med Chem Lett 7: 2393-2398 (1997)


Article DOI: 10.1016/S0960-894X(97)00437-X
BindingDB Entry DOI: 10.7270/Q2FB52XX
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50074300
PNG
(4-[[(E)-Hydroxyimino]-(3,5,5,8,8-pentamethyl-5,6,7...)
Show SMILES Cc1cc2c(cc1C(N=O)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C23H27NO3/c1-14-12-18-19(23(4,5)11-10-22(18,2)3)13-17(14)20(24-27)15-6-8-16(9-7-15)21(25)26/h6-9,12-13,20H,10-11H2,1-5H3,(H,25,26)
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5n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Binding affinity towards recombinantly expressed Retinoic acid receptor RXR-gamma in baculoviral sysytem, by using 5 nM [3H]-targretin in a competiti...


J Med Chem 42: 742-50 (1999)


Article DOI: 10.1021/jm980621r
BindingDB Entry DOI: 10.7270/Q2K936Q1
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50074300
PNG
(4-[[(E)-Hydroxyimino]-(3,5,5,8,8-pentamethyl-5,6,7...)
Show SMILES Cc1cc2c(cc1C(N=O)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C23H27NO3/c1-14-12-18-19(23(4,5)11-10-22(18,2)3)13-17(14)20(24-27)15-6-8-16(9-7-15)21(25)26/h6-9,12-13,20H,10-11H2,1-5H3,(H,25,26)
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5n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Binding affinity towards recombinantly expressed Retinoic acid receptor RXR-beta in baculoviral sysytem, by using 5 nM [3H]-targretin in a competitiv...


J Med Chem 42: 742-50 (1999)


Article DOI: 10.1021/jm980621r
BindingDB Entry DOI: 10.7270/Q2K936Q1
More data for this
Ligand-Target Pair
Retinoid X receptor gamma


(Mus musculus)
BDBM50290187
PNG
((2E,4E)-3-Methyl-5-[(1R,2S)-2-(5,5,8,8-tetramethyl...)
Show SMILES C\C(\C=C\[C@H]1CCC[C@@H]1c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C25H34O2/c1-17(15-23(26)27)9-10-18-7-6-8-20(18)19-11-12-21-22(16-19)25(4,5)14-13-24(21,2)3/h9-12,15-16,18,20H,6-8,13-14H2,1-5H3,(H,26,27)/b10-9+,17-15+/t18-,20+/m1/s1
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5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effective potency in transcriptional activation assay in CV-1 cells expressing retinoic acid receptor RAR gamma


Bioorg Med Chem Lett 7: 2393-2398 (1997)


Article DOI: 10.1016/S0960-894X(97)00437-X
BindingDB Entry DOI: 10.7270/Q2FB52XX
More data for this
Ligand-Target Pair
Retinoid X receptor gamma


(Mus musculus)
BDBM50290192
PNG
(3-Methyl-5-[5-(5,5,8,8-tetramethyl-5,6,7,8-tetrahy...)
Show SMILES C\C(\C=C\[C@]12CC1(CCC2)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C26H34O2/c1-18(15-22(27)28)9-12-25-10-6-11-26(25,17-25)19-7-8-20-21(16-19)24(4,5)14-13-23(20,2)3/h7-9,12,15-16H,6,10-11,13-14,17H2,1-5H3,(H,27,28)/b12-9+,18-15+/t25-,26?/m1/s1
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5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effective potency in transcriptional activation assay in CV-1 cells expressing Retinoid X receptor RXR alpha


Bioorg Med Chem Lett 7: 2393-2398 (1997)


Article DOI: 10.1016/S0960-894X(97)00437-X
BindingDB Entry DOI: 10.7270/Q2FB52XX
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50074304
PNG
(4-{(3-Bromo-5,5,8,8-tetramethyl-5,6,7,8-tetrahydro...)
Show SMILES CC1(C)CCC(C)(C)c2cc(C(N=O)c3ccc(cc3)C(O)=O)c(Br)cc12
Show InChI InChI=1S/C22H24BrNO3/c1-21(2)9-10-22(3,4)17-12-18(23)15(11-16(17)21)19(24-27)13-5-7-14(8-6-13)20(25)26/h5-8,11-12,19H,9-10H2,1-4H3,(H,25,26)
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6n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Binding affinity towards recombinantly expressed Retinoic acid receptor RXR-beta in baculoviral sysytem, by using 5 nM [3H]-targretin in a competitiv...


J Med Chem 42: 742-50 (1999)


Article DOI: 10.1021/jm980621r
BindingDB Entry DOI: 10.7270/Q2K936Q1
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50074300
PNG
(4-[[(E)-Hydroxyimino]-(3,5,5,8,8-pentamethyl-5,6,7...)
Show SMILES Cc1cc2c(cc1C(N=O)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C23H27NO3/c1-14-12-18-19(23(4,5)11-10-22(18,2)3)13-17(14)20(24-27)15-6-8-16(9-7-15)21(25)26/h6-9,12-13,20H,10-11H2,1-5H3,(H,25,26)
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6n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Binding affinity towards recombinantly expressed Retinoic acid receptor RXR-alpha in baculoviral sysytem, by using 5 nM [3H]-targretin in a competiti...


J Med Chem 42: 742-50 (1999)


Article DOI: 10.1021/jm980621r
BindingDB Entry DOI: 10.7270/Q2K936Q1
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50074307
PNG
(4-{(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-napht...)
Show SMILES CCCO\N=C(/c1ccc(cc1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C26H33NO3/c1-7-14-30-27-23(18-8-10-19(11-9-18)24(28)29)20-16-22-21(15-17(20)2)25(3,4)12-13-26(22,5)6/h8-11,15-16H,7,12-14H2,1-6H3,(H,28,29)/b27-23+
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6n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Binding affinity towards recombinantly expressed Retinoic acid receptor RXR-alpha in baculoviral sysytem, by using 5 nM [3H]-targretin in a competiti...


J Med Chem 42: 742-50 (1999)


Article DOI: 10.1021/jm980621r
BindingDB Entry DOI: 10.7270/Q2K936Q1
More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM50290187
PNG
((2E,4E)-3-Methyl-5-[(1R,2S)-2-(5,5,8,8-tetramethyl...)
Show SMILES C\C(\C=C\[C@H]1CCC[C@@H]1c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C25H34O2/c1-17(15-23(26)27)9-10-18-7-6-8-20(18)19-11-12-21-22(16-19)25(4,5)14-13-24(21,2)3/h9-12,15-16,18,20H,6-8,13-14H2,1-5H3,(H,26,27)/b10-9+,17-15+/t18-,20+/m1/s1
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6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-9-cis-RA binding to Retinoid X receptor RXR beta


Bioorg Med Chem Lett 7: 2393-2398 (1997)


Article DOI: 10.1016/S0960-894X(97)00437-X
BindingDB Entry DOI: 10.7270/Q2FB52XX
More data for this
Ligand-Target Pair
Retinoid X receptor gamma


(Mus musculus)
BDBM50290186
PNG
((2E,4E)-3-Methyl-5-[(1R,2R)-1-methyl-2-(5,5,8,8-te...)
Show SMILES C\C(\C=C\[C@@]1(C)CCC[C@@H]1c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C26H36O2/c1-18(16-23(27)28)11-13-26(6)12-7-8-20(26)19-9-10-21-22(17-19)25(4,5)15-14-24(21,2)3/h9-11,13,16-17,20H,7-8,12,14-15H2,1-6H3,(H,27,28)/b13-11+,18-16+/t20-,26-/m1/s1
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7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effective potency in transcriptional activation assay in CV-1 cells expressing Retinoid X receptor RXR alpha


Bioorg Med Chem Lett 7: 2393-2398 (1997)


Article DOI: 10.1016/S0960-894X(97)00437-X
BindingDB Entry DOI: 10.7270/Q2FB52XX
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50074306
PNG
(4-[[(E)-Allyloxyimino]-(3,5,5,8,8-pentamethyl-5,6,...)
Show SMILES Cc1cc2c(cc1\C(=N\OCC=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C26H31NO3/c1-7-14-30-27-23(18-8-10-19(11-9-18)24(28)29)20-16-22-21(15-17(20)2)25(3,4)12-13-26(22,5)6/h7-11,15-16H,1,12-14H2,2-6H3,(H,28,29)/b27-23+
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7n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Binding affinity towards recombinantly expressed Retinoic acid receptor RXR-alpha in baculoviral sysytem, by using 5 nM [3H]-targretin in a competiti...


J Med Chem 42: 742-50 (1999)


Article DOI: 10.1021/jm980621r
BindingDB Entry DOI: 10.7270/Q2K936Q1
More data for this
Ligand-Target Pair
Retinoid X receptor gamma


(Mus musculus)
BDBM50290188
PNG
((2E,4E)-3-Methyl-5-[(1S,2R)-1-methyl-2-(5,5,8,8-te...)
Show SMILES C\C(\C=C\[C@]1(C)CCC[C@@H]1c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C26H36O2/c1-18(16-23(27)28)11-13-26(6)12-7-8-20(26)19-9-10-21-22(17-19)25(4,5)15-14-24(21,2)3/h9-11,13,16-17,20H,7-8,12,14-15H2,1-6H3,(H,27,28)/b13-11+,18-16+/t20-,26+/m1/s1
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7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-9-cis-RA binding to Retinoid X receptor RXR gamma


Bioorg Med Chem Lett 7: 2393-2398 (1997)


Article DOI: 10.1016/S0960-894X(97)00437-X
BindingDB Entry DOI: 10.7270/Q2FB52XX
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50074295
PNG
(4-[[(E)-Methoxyimino]-(3,5,5,8,8-pentamethyl-5,6,7...)
Show SMILES CO\N=C(/c1ccc(cc1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H29NO3/c1-15-13-19-20(24(4,5)12-11-23(19,2)3)14-18(15)21(25-28-6)16-7-9-17(10-8-16)22(26)27/h7-10,13-14H,11-12H2,1-6H3,(H,26,27)/b25-21+
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8n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Binding affinity towards recombinantly expressed Retinoic acid receptor RXR-beta in baculoviral sysytem, by using 5 nM [3H]-targretin in a competitiv...


J Med Chem 42: 742-50 (1999)


Article DOI: 10.1021/jm980621r
BindingDB Entry DOI: 10.7270/Q2K936Q1
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50074295
PNG
(4-[[(E)-Methoxyimino]-(3,5,5,8,8-pentamethyl-5,6,7...)
Show SMILES CO\N=C(/c1ccc(cc1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H29NO3/c1-15-13-19-20(24(4,5)12-11-23(19,2)3)14-18(15)21(25-28-6)16-7-9-17(10-8-16)22(26)27/h7-10,13-14H,11-12H2,1-6H3,(H,26,27)/b25-21+
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8n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Binding affinity towards recombinantly expressed Retinoic acid receptor RXR-gamma in baculoviral sysytem, by using 5 nM [3H]-targretin in a competiti...


J Med Chem 42: 742-50 (1999)


Article DOI: 10.1021/jm980621r
BindingDB Entry DOI: 10.7270/Q2K936Q1
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50052589
PNG
((2E,4E,6Z)-3-Methyl-7-(5,5,8,8-tetramethyl-3-propo...)
Show SMILES CCCOc1cc2c(cc1\C(C)=C/C=C/C(/C)=C/C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C26H36O3/c1-8-14-29-23-17-22-21(25(4,5)12-13-26(22,6)7)16-20(23)19(3)11-9-10-18(2)15-24(27)28/h9-11,15-17H,8,12-14H2,1-7H3,(H,27,28)/b10-9+,18-15+,19-11-
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8n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Targretin binding to Retinoid X receptor RXR alpha


J Med Chem 39: 3229-34 (1996)


Article DOI: 10.1021/jm960311d
BindingDB Entry DOI: 10.7270/Q2ZW1K14
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM31892
PNG
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4|
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+
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8n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Targretin binding to Retinoid X receptor RXR alpha


J Med Chem 39: 3229-34 (1996)


Article DOI: 10.1021/jm960311d
BindingDB Entry DOI: 10.7270/Q2ZW1K14
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid receptor


(Homo sapiens (Human))
BDBM50052589
PNG
((2E,4E,6Z)-3-Methyl-7-(5,5,8,8-tetramethyl-3-propo...)
Show SMILES CCCOc1cc2c(cc1\C(C)=C/C=C/C(/C)=C/C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C26H36O3/c1-8-14-29-23-17-22-21(25(4,5)12-13-26(22,6)7)16-20(23)19(3)11-9-10-18(2)15-24(27)28/h9-11,15-17H,8,12-14H2,1-7H3,(H,27,28)/b10-9+,18-15+,19-11-
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9n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Targretin binding to Retinoid X receptor RXR beta


J Med Chem 39: 3229-34 (1996)


Article DOI: 10.1021/jm960311d
BindingDB Entry DOI: 10.7270/Q2ZW1K14
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50074295
PNG
(4-[[(E)-Methoxyimino]-(3,5,5,8,8-pentamethyl-5,6,7...)
Show SMILES CO\N=C(/c1ccc(cc1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H29NO3/c1-15-13-19-20(24(4,5)12-11-23(19,2)3)14-18(15)21(25-28-6)16-7-9-17(10-8-16)22(26)27/h7-10,13-14H,11-12H2,1-6H3,(H,26,27)/b25-21+
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9n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Binding affinity towards recombinantly expressed Retinoic acid receptor RXR-alpha in baculoviral sysytem, by using 5 nM [3H]-targretin in a competiti...


J Med Chem 42: 742-50 (1999)


Article DOI: 10.1021/jm980621r
BindingDB Entry DOI: 10.7270/Q2K936Q1
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM31892
PNG
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4|
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+
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9n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Targretin binding to Retinoid X receptor RXR beta


J Med Chem 39: 3229-34 (1996)


Article DOI: 10.1021/jm960311d
BindingDB Entry DOI: 10.7270/Q2ZW1K14
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid X receptor beta


(Mus musculus)
BDBM50290192
PNG
(3-Methyl-5-[5-(5,5,8,8-tetramethyl-5,6,7,8-tetrahy...)
Show SMILES C\C(\C=C\[C@]12CC1(CCC2)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C26H34O2/c1-18(15-22(27)28)9-12-25-10-6-11-26(25,17-25)19-7-8-20-21(16-19)24(4,5)14-13-23(20,2)3/h7-9,12,15-16H,6,10-11,13-14,17H2,1-5H3,(H,27,28)/b12-9+,18-15+/t25-,26?/m1/s1
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10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effective potency in transcriptional activation assay in CV-1 cells expressing Retinoid X receptor RXR alpha


Bioorg Med Chem Lett 7: 2393-2398 (1997)


Article DOI: 10.1016/S0960-894X(97)00437-X
BindingDB Entry DOI: 10.7270/Q2FB52XX
More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM50290186
PNG
((2E,4E)-3-Methyl-5-[(1R,2R)-1-methyl-2-(5,5,8,8-te...)
Show SMILES C\C(\C=C\[C@@]1(C)CCC[C@@H]1c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C26H36O2/c1-18(16-23(27)28)11-13-26(6)12-7-8-20(26)19-9-10-21-22(17-19)25(4,5)15-14-24(21,2)3/h9-11,13,16-17,20H,7-8,12,14-15H2,1-6H3,(H,27,28)/b13-11+,18-16+/t20-,26-/m1/s1
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10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effective potency in transcriptional activation assay in CV-1 cells expressing Retinoid X receptor RXR beta


Bioorg Med Chem Lett 7: 2393-2398 (1997)


Article DOI: 10.1016/S0960-894X(97)00437-X
BindingDB Entry DOI: 10.7270/Q2FB52XX
More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM50290188
PNG
((2E,4E)-3-Methyl-5-[(1S,2R)-1-methyl-2-(5,5,8,8-te...)
Show SMILES C\C(\C=C\[C@]1(C)CCC[C@@H]1c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C26H36O2/c1-18(16-23(27)28)11-13-26(6)12-7-8-20(26)19-9-10-21-22(17-19)25(4,5)15-14-24(21,2)3/h9-11,13,16-17,20H,7-8,12,14-15H2,1-6H3,(H,27,28)/b13-11+,18-16+/t20-,26+/m1/s1
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10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effective potency in transcriptional activation assay in CV-1 cells expressing retinoic acid receptor RAR beta


Bioorg Med Chem Lett 7: 2393-2398 (1997)


Article DOI: 10.1016/S0960-894X(97)00437-X
BindingDB Entry DOI: 10.7270/Q2FB52XX
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50074297
PNG
(4-[[(E)-Cyanomethoxyimino]-(3,5,5,8,8-pentamethyl-...)
Show SMILES Cc1cc2c(cc1\C(=N\OCC#N)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C25H28N2O3/c1-16-14-20-21(25(4,5)11-10-24(20,2)3)15-19(16)22(27-30-13-12-26)17-6-8-18(9-7-17)23(28)29/h6-9,14-15H,10-11,13H2,1-5H3,(H,28,29)/b27-22+
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11n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Binding affinity towards recombinantly expressed Retinoic acid receptor RXR-alpha in baculoviral sysytem, by using 5 nM [3H]-targretin in a competiti...


J Med Chem 42: 742-50 (1999)


Article DOI: 10.1021/jm980621r
BindingDB Entry DOI: 10.7270/Q2K936Q1
More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM50290194
PNG
((2E,4E)-3-Methyl-5-[(1S,2S)-2-(5,5,8,8-tetramethyl...)
Show SMILES C\C(\C=C\[C@@H]1CCC[C@@H]1c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C25H34O2/c1-17(15-23(26)27)9-10-18-7-6-8-20(18)19-11-12-21-22(16-19)25(4,5)14-13-24(21,2)3/h9-12,15-16,18,20H,6-8,13-14H2,1-5H3,(H,26,27)/b10-9+,17-15+/t18-,20-/m0/s1
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11n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-9-cis-RA binding to Retinoid X receptor RXR beta


Bioorg Med Chem Lett 7: 2393-2398 (1997)


Article DOI: 10.1016/S0960-894X(97)00437-X
BindingDB Entry DOI: 10.7270/Q2FB52XX
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50074304
PNG
(4-{(3-Bromo-5,5,8,8-tetramethyl-5,6,7,8-tetrahydro...)
Show SMILES CC1(C)CCC(C)(C)c2cc(C(N=O)c3ccc(cc3)C(O)=O)c(Br)cc12
Show InChI InChI=1S/C22H24BrNO3/c1-21(2)9-10-22(3,4)17-12-18(23)15(11-16(17)21)19(24-27)13-5-7-14(8-6-13)20(25)26/h5-8,11-12,19H,9-10H2,1-4H3,(H,25,26)
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12n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Binding affinity towards recombinantly expressed Retinoic acid receptor RXR-alpha in baculoviral sysytem, by using 5 nM [3H]-targretin in a competiti...


J Med Chem 42: 742-50 (1999)


Article DOI: 10.1021/jm980621r
BindingDB Entry DOI: 10.7270/Q2K936Q1
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50052590
PNG
((2E,4E,6Z)-7-(3-Ethoxy-5,5,8,8-tetramethyl-5,6,7,8...)
Show SMILES CCOc1cc2c(cc1\C(C)=C/C=C/C(/C)=C/C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C25H34O3/c1-8-28-22-16-21-20(24(4,5)12-13-25(21,6)7)15-19(22)18(3)11-9-10-17(2)14-23(26)27/h9-11,14-16H,8,12-13H2,1-7H3,(H,26,27)/b10-9+,17-14+,18-11-
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12n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Targretin binding to Retinoid X receptor RXR beta


J Med Chem 39: 3229-34 (1996)


Article DOI: 10.1021/jm960311d
BindingDB Entry DOI: 10.7270/Q2ZW1K14
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM31892
PNG
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4|
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+
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14n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Targretin binding to Retinoid X receptor RXR gamma


J Med Chem 39: 3229-34 (1996)


Article DOI: 10.1021/jm960311d
BindingDB Entry DOI: 10.7270/Q2ZW1K14
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid receptor


(Homo sapiens (Human))
BDBM50074297
PNG
(4-[[(E)-Cyanomethoxyimino]-(3,5,5,8,8-pentamethyl-...)
Show SMILES Cc1cc2c(cc1\C(=N\OCC#N)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C25H28N2O3/c1-16-14-20-21(25(4,5)11-10-24(20,2)3)15-19(16)22(27-30-13-12-26)17-6-8-18(9-7-17)23(28)29/h6-9,14-15H,10-11,13H2,1-5H3,(H,28,29)/b27-22+
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14n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Binding affinity towards recombinantly expressed Retinoic acid receptor RXR-beta in baculoviral sysytem, by using 5 nM [3H]-targretin in a competitiv...


J Med Chem 42: 742-50 (1999)


Article DOI: 10.1021/jm980621r
BindingDB Entry DOI: 10.7270/Q2K936Q1
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50074297
PNG
(4-[[(E)-Cyanomethoxyimino]-(3,5,5,8,8-pentamethyl-...)
Show SMILES Cc1cc2c(cc1\C(=N\OCC#N)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C25H28N2O3/c1-16-14-20-21(25(4,5)11-10-24(20,2)3)15-19(16)22(27-30-13-12-26)17-6-8-18(9-7-17)23(28)29/h6-9,14-15H,10-11,13H2,1-5H3,(H,28,29)/b27-22+
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14n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Binding affinity towards recombinantly expressed Retinoic acid receptor RXR-gamma in baculoviral sysytem, by using 5 nM [3H]-targretin in a competiti...


J Med Chem 42: 742-50 (1999)


Article DOI: 10.1021/jm980621r
BindingDB Entry DOI: 10.7270/Q2K936Q1
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50052589
PNG
((2E,4E,6Z)-3-Methyl-7-(5,5,8,8-tetramethyl-3-propo...)
Show SMILES CCCOc1cc2c(cc1\C(C)=C/C=C/C(/C)=C/C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C26H36O3/c1-8-14-29-23-17-22-21(25(4,5)12-13-26(22,6)7)16-20(23)19(3)11-9-10-18(2)15-24(27)28/h9-11,15-17H,8,12-14H2,1-7H3,(H,27,28)/b10-9+,18-15+,19-11-
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14n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Targretin binding to Retinoid X receptor RXR gamma


J Med Chem 39: 3229-34 (1996)


Article DOI: 10.1021/jm960311d
BindingDB Entry DOI: 10.7270/Q2ZW1K14
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid receptor


(Homo sapiens (Human))
BDBM50074306
PNG
(4-[[(E)-Allyloxyimino]-(3,5,5,8,8-pentamethyl-5,6,...)
Show SMILES Cc1cc2c(cc1\C(=N\OCC=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C26H31NO3/c1-7-14-30-27-23(18-8-10-19(11-9-18)24(28)29)20-16-22-21(15-17(20)2)25(3,4)12-13-26(22,5)6/h7-11,15-16H,1,12-14H2,2-6H3,(H,28,29)/b27-23+
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15n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Binding affinity towards recombinantly expressed Retinoic acid receptor RXR-beta in baculoviral sysytem, by using 5 nM [3H]-targretin in a competitiv...


J Med Chem 42: 742-50 (1999)


Article DOI: 10.1021/jm980621r
BindingDB Entry DOI: 10.7270/Q2K936Q1
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50290194
PNG
((2E,4E)-3-Methyl-5-[(1S,2S)-2-(5,5,8,8-tetramethyl...)
Show SMILES C\C(\C=C\[C@@H]1CCC[C@@H]1c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C25H34O2/c1-17(15-23(26)27)9-10-18-7-6-8-20(18)19-11-12-21-22(16-19)25(4,5)14-13-24(21,2)3/h9-12,15-16,18,20H,6-8,13-14H2,1-5H3,(H,26,27)/b10-9+,17-15+/t18-,20-/m0/s1
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15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-9-cis-RA binding to Retinoid X receptor RXR alpha


Bioorg Med Chem Lett 7: 2393-2398 (1997)


Article DOI: 10.1016/S0960-894X(97)00437-X
BindingDB Entry DOI: 10.7270/Q2FB52XX
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50052590
PNG
((2E,4E,6Z)-7-(3-Ethoxy-5,5,8,8-tetramethyl-5,6,7,8...)
Show SMILES CCOc1cc2c(cc1\C(C)=C/C=C/C(/C)=C/C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C25H34O3/c1-8-28-22-16-21-20(24(4,5)12-13-25(21,6)7)15-19(22)18(3)11-9-10-17(2)14-23(26)27/h9-11,14-16H,8,12-13H2,1-7H3,(H,26,27)/b10-9+,17-14+,18-11-
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17n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Targretin binding to Retinoid X receptor RXR gamma


J Med Chem 39: 3229-34 (1996)


Article DOI: 10.1021/jm960311d
BindingDB Entry DOI: 10.7270/Q2ZW1K14
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50290191
PNG
(3-Methyl-5-[2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahy...)
Show SMILES C\C(\C=C\C1=C(CCC1)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O |t:4|
Show InChI InChI=1S/C25H32O2/c1-17(15-23(26)27)9-10-18-7-6-8-20(18)19-11-12-21-22(16-19)25(4,5)14-13-24(21,2)3/h9-12,15-16H,6-8,13-14H2,1-5H3,(H,26,27)/b10-9+,17-15+
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20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-9-cis-RA binding to Retinoid X receptor RXR alpha


Bioorg Med Chem Lett 7: 2393-2398 (1997)


Article DOI: 10.1016/S0960-894X(97)00437-X
BindingDB Entry DOI: 10.7270/Q2FB52XX
More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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21n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-9-cis-RA binding to Retinoid X receptor RXR beta


Bioorg Med Chem Lett 7: 2393-2398 (1997)


Article DOI: 10.1016/S0960-894X(97)00437-X
BindingDB Entry DOI: 10.7270/Q2FB52XX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid receptor


(Homo sapiens (Human))
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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21n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Binding affinity towards recombinantly expressed Retinoic acid receptor RXR-beta in baculoviral sysytem, by using 5 nM [3H]-targretin in a competitiv...


J Med Chem 42: 742-50 (1999)


Article DOI: 10.1021/jm980621r
BindingDB Entry DOI: 10.7270/Q2K936Q1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50074296
PNG
(4-[[(E)-Isobutoxyimino]-(3,5,5,8,8-pentamethyl-5,6...)
Show SMILES CC(C)CO\N=C(/c1ccc(cc1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C27H35NO3/c1-17(2)16-31-28-24(19-8-10-20(11-9-19)25(29)30)21-15-23-22(14-18(21)3)26(4,5)12-13-27(23,6)7/h8-11,14-15,17H,12-13,16H2,1-7H3,(H,29,30)/b28-24+
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21n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Binding affinity towards recombinantly expressed Retinoic acid receptor RXR-alpha in baculoviral sysytem, by using 5 nM [3H]-targretin in a competiti...


J Med Chem 42: 742-50 (1999)


Article DOI: 10.1021/jm980621r
BindingDB Entry DOI: 10.7270/Q2K936Q1
More data for this
Ligand-Target Pair
Retinoid X receptor gamma


(Mus musculus)
BDBM50290193
PNG
(3-Methyl-5-[2-(3,5,5,8,8-pentamethyl-5,6,7,8-tetra...)
Show SMILES C\C(\C=C\C1=C(CCC1)c1cc2c(cc1C)C(C)(C)CCC2(C)C)=C/C(O)=O |t:4|
Show InChI InChI=1S/C26H34O2/c1-17(14-24(27)28)10-11-19-8-7-9-20(19)21-16-23-22(15-18(21)2)25(3,4)12-13-26(23,5)6/h10-11,14-16H,7-9,12-13H2,1-6H3,(H,27,28)/b11-10+,17-14+
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22n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-9-cis-RA binding to Retinoid X receptor RXR beta


Bioorg Med Chem Lett 7: 2393-2398 (1997)


Article DOI: 10.1016/S0960-894X(97)00437-X
BindingDB Entry DOI: 10.7270/Q2FB52XX
More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM50290193
PNG
(3-Methyl-5-[2-(3,5,5,8,8-pentamethyl-5,6,7,8-tetra...)
Show SMILES C\C(\C=C\C1=C(CCC1)c1cc2c(cc1C)C(C)(C)CCC2(C)C)=C/C(O)=O |t:4|
Show InChI InChI=1S/C26H34O2/c1-17(14-24(27)28)10-11-19-8-7-9-20(19)21-16-23-22(15-18(21)2)25(3,4)12-13-26(23,5)6/h10-11,14-16H,7-9,12-13H2,1-6H3,(H,27,28)/b11-10+,17-14+
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25n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-9-cis-RA binding to Retinoid X receptor RXR beta


Bioorg Med Chem Lett 7: 2393-2398 (1997)


Article DOI: 10.1016/S0960-894X(97)00437-X
BindingDB Entry DOI: 10.7270/Q2FB52XX
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50074299
PNG
(4-[[(E)-Ethoxyimino]-(3,5,5,8,8-pentamethyl-5,6,7,...)
Show SMILES CCO\N=C(/c1ccc(cc1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C25H31NO3/c1-7-29-26-22(17-8-10-18(11-9-17)23(27)28)19-15-21-20(14-16(19)2)24(3,4)12-13-25(21,5)6/h8-11,14-15H,7,12-13H2,1-6H3,(H,27,28)/b26-22+
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26n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Binding affinity towards recombinantly expressed Retinoic acid receptor RXR-alpha in baculoviral sysytem, by using 5 nM [3H]-targretin in a competiti...


J Med Chem 42: 742-50 (1999)


Article DOI: 10.1021/jm980621r
BindingDB Entry DOI: 10.7270/Q2K936Q1
More data for this
Ligand-Target Pair
Retinoid X receptor gamma


(Mus musculus)
BDBM50290194
PNG
((2E,4E)-3-Methyl-5-[(1S,2S)-2-(5,5,8,8-tetramethyl...)
Show SMILES C\C(\C=C\[C@@H]1CCC[C@@H]1c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C25H34O2/c1-17(15-23(26)27)9-10-18-7-6-8-20(18)19-11-12-21-22(16-19)25(4,5)14-13-24(21,2)3/h9-12,15-16,18,20H,6-8,13-14H2,1-5H3,(H,26,27)/b10-9+,17-15+/t18-,20-/m0/s1
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26n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-9-cis-RA binding to Retinoid X receptor RXR gamma


Bioorg Med Chem Lett 7: 2393-2398 (1997)


Article DOI: 10.1016/S0960-894X(97)00437-X
BindingDB Entry DOI: 10.7270/Q2FB52XX
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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29n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Binding affinity towards recombinantly expressed Retinoic acid receptor RXR-gamma in baculoviral sysytem, by using 5 nM [3H]-targretin in a competiti...


J Med Chem 42: 742-50 (1999)


Article DOI: 10.1021/jm980621r
BindingDB Entry DOI: 10.7270/Q2K936Q1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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