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Compile Data Set for Download or QSAR

Found 1840 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor subfamily 4 group A member 2'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50032219
PNG
((E)-4-(2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydrona...)
Show SMILES C\C(=C/c1ccc(cc1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-20-21(15-19)24(4,5)13-12-23(20,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,25,26)/b16-14+
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n/an/an/an/a>0.00100n/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoid X receptor RXR alpha


J Med Chem 38: 2820-9 (1995)


Article DOI: 10.1021/jm00015a004
BindingDB Entry DOI: 10.7270/Q2FN157S
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM31883
PNG
(9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O
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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n/an/an/an/a>0.00100n/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoid X receptor RXR alpha


J Med Chem 38: 2820-9 (1995)


Article DOI: 10.1021/jm00015a004
BindingDB Entry DOI: 10.7270/Q2FN157S
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50032224
PNG
(3-[(E)-2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro...)
Show SMILES C\C(=C/c1cccc(c1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C25H30O2/c1-16(12-18-8-7-9-19(14-18)23(26)27)20-15-22-21(13-17(20)2)24(3,4)10-11-25(22,5)6/h7-9,12-15H,10-11H2,1-6H3,(H,26,27)/b16-12+
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n/an/an/an/a>0.00100n/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoid X receptor RXR alpha


J Med Chem 38: 2820-9 (1995)


Article DOI: 10.1021/jm00015a004
BindingDB Entry DOI: 10.7270/Q2FN157S
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50101445
PNG
((2E,4E)-3-Methyl-5-[(1S,2S)-2-methyl-2-(5,5,8,8-te...)
Show SMILES C\C(\C=C\[C@@H]1C[C@]1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C24H32O2/c1-16(13-21(25)26)7-8-18-15-24(18,6)17-9-10-19-20(14-17)23(4,5)12-11-22(19,2)3/h7-10,13-14,18H,11-12,15H2,1-6H3,(H,25,26)/b8-7+,16-13+/t18-,24-/m1/s1
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n/an/an/an/a 0.200n/an/an/an/a



Allergan Inc

Curated by ChEMBL


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


J Med Chem 44: 2298-303 (2001)


Article DOI: 10.1021/jm0100584
BindingDB Entry DOI: 10.7270/Q2P84B41
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Mus musculus)
BDBM50517810
PNG
(CHEMBL4579076)
Show SMILES Fc1cccc(NC(=O)c2cn3cc(ccc3n2)-c2ccccn2)n1
Show InChI InChI=1S/C18H12FN5O/c19-15-5-3-6-16(22-15)23-18(25)14-11-24-10-12(7-8-17(24)21-14)13-4-1-2-9-20-13/h1-11H,(H,22,23,25)
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n/an/an/an/a 0.600n/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Agonist activity at Nurr1 in mouse N2A cells harboring NBRE by luciferase reporter gene assay


Bioorg Med Chem Lett 29: 929-932 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.024
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Mus musculus)
BDBM50517823
PNG
(CHEMBL4435806)
Show SMILES O=C(Nc1nccs1)c1cn2cc(ccc2n1)-c1ccccn1
Show InChI InChI=1S/C16H11N5OS/c22-15(20-16-18-7-8-23-16)13-10-21-9-11(4-5-14(21)19-13)12-3-1-2-6-17-12/h1-10H,(H,18,20,22)
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n/an/an/an/a 0.800n/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Agonist activity at Nurr1 in mouse N2A cells harboring NBRE by luciferase reporter gene assay


Bioorg Med Chem Lett 29: 929-932 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.024
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens (Human))
BDBM50196291
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-5-methyl-3-phenylisox...)
Show SMILES Cn1c(cc2onc(-c3ccccc3)c2c1=O)-c1ccc2OCOc2c1
Show InChI InChI=1S/C20H14N2O4/c1-22-14(13-7-8-15-16(9-13)25-11-24-15)10-17-18(20(22)23)19(21-26-17)12-5-3-2-4-6-12/h2-10H,11H2,1H3
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n/an/an/an/a 0.800n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Activation of Nurr1 expressed in MN9D cells by luciferase reporter gene assay


Bioorg Med Chem Lett 17: 193-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.062
BindingDB Entry DOI: 10.7270/Q23T9J2R
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50212274
PNG
(5-((3-(1-ethyl-4,4,6-trimethyl-2-oxo-1,2,3,4-tetra...)
Show SMILES CCN1C(=O)CC(C)(C)c2cc(C)c(cc12)-c1cc(C=C2SC(O)=NC2=O)ccc1OC(F)(F)F
Show InChI InChI=1S/C25H23F3N2O4S/c1-5-30-18-11-15(13(2)8-17(18)24(3,4)12-21(30)31)16-9-14(6-7-19(16)34-25(26,27)28)10-20-22(32)29-23(33)35-20/h6-11H,5,12H2,1-4H3,(H,29,32,33)
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n/an/an/an/a 0.900n/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Activity at RXRalpha by GAL4DNA cotransfection assay


Bioorg Med Chem Lett 17: 3497-503 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.047
BindingDB Entry DOI: 10.7270/Q2FQ9W93
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50212274
PNG
(5-((3-(1-ethyl-4,4,6-trimethyl-2-oxo-1,2,3,4-tetra...)
Show SMILES CCN1C(=O)CC(C)(C)c2cc(C)c(cc12)-c1cc(C=C2SC(O)=NC2=O)ccc1OC(F)(F)F
Show InChI InChI=1S/C25H23F3N2O4S/c1-5-30-18-11-15(13(2)8-17(18)24(3,4)12-21(30)31)16-9-14(6-7-19(16)34-25(26,27)28)10-20-22(32)29-23(33)35-20/h6-11H,5,12H2,1-4H3,(H,29,32,33)
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n/an/an/an/a 0.900n/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Activity at RXRalpha by GAL4DNA cotransfection assay


Bioorg Med Chem Lett 17: 3491-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.049
BindingDB Entry DOI: 10.7270/Q2T153B1
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Mus musculus)
BDBM50517851
PNG
(CHEMBL4440924)
Show SMILES Fc1cccc(NC(=O)c2cn3cc(ccc3n2)-c2ccccn2)c1
Show InChI InChI=1S/C19H13FN4O/c20-14-4-3-5-15(10-14)22-19(25)17-12-24-11-13(7-8-18(24)23-17)16-6-1-2-9-21-16/h1-12H,(H,22,25)
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Sanofi

Curated by ChEMBL


Assay Description
Agonist activity at Nurr1 in mouse N2A cells harboring NBRE by luciferase reporter gene assay


Bioorg Med Chem Lett 29: 929-932 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.024
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Mus musculus)
BDBM50517826
PNG
(CHEMBL4453191)
Show SMILES Fc1ccc(F)c(NC(=O)c2cn3cc(ccc3n2)-c2ccccn2)c1
Show InChI InChI=1S/C19H12F2N4O/c20-13-5-6-14(21)16(9-13)24-19(26)17-11-25-10-12(4-7-18(25)23-17)15-3-1-2-8-22-15/h1-11H,(H,24,26)
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Sanofi

Curated by ChEMBL


Assay Description
Agonist activity at Nurr1 in mouse N2A cells harboring NBRE by luciferase reporter gene assay


Bioorg Med Chem Lett 29: 929-932 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.024
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Mus musculus)
BDBM50517829
PNG
(CHEMBL4542579)
Show SMILES O=C(Nc1cccs1)c1cn2cc(ccc2n1)-c1ccccn1
Show InChI InChI=1S/C17H12N4OS/c22-17(20-16-5-3-9-23-16)14-11-21-10-12(6-7-15(21)19-14)13-4-1-2-8-18-13/h1-11H,(H,20,22)
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Sanofi

Curated by ChEMBL


Assay Description
Agonist activity at Nurr1 in mouse N2A cells harboring NBRE by luciferase reporter gene assay


Bioorg Med Chem Lett 29: 929-932 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.024
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Mus musculus)
BDBM50517811
PNG
(CHEMBL4576867)
Show SMILES OCc1cccc(c1)-c1ccc2nc(cn2c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H15ClN2O/c21-18-7-4-15(5-8-18)19-12-23-11-17(6-9-20(23)22-19)16-3-1-2-14(10-16)13-24/h1-12,24H,13H2
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n/an/an/an/a 1n/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Agonist activity at Nurr1 in mouse N2A cells harboring NBRE by luciferase reporter gene assay


Bioorg Med Chem Lett 29: 929-932 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.024
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Mus musculus)
BDBM50517833
PNG
(CHEMBL4472621)
Show SMILES O=C(Nc1ccccc1)c1cn2cc(ccc2n1)-c1ccccn1
Show InChI InChI=1S/C19H14N4O/c24-19(21-15-6-2-1-3-7-15)17-13-23-12-14(9-10-18(23)22-17)16-8-4-5-11-20-16/h1-13H,(H,21,24)
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Sanofi

Curated by ChEMBL


Assay Description
Agonist activity at Nurr1 in mouse N2A cells harboring NBRE by luciferase reporter gene assay


Bioorg Med Chem Lett 29: 929-932 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.024
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Mus musculus)
BDBM50517831
PNG
(CHEMBL4516628)
Show SMILES Fc1ccccc1NC(=O)c1cn2cc(ccc2n1)-c1ccccn1
Show InChI InChI=1S/C19H13FN4O/c20-14-5-1-2-7-16(14)23-19(25)17-12-24-11-13(8-9-18(24)22-17)15-6-3-4-10-21-15/h1-12H,(H,23,25)
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n/an/an/an/a 1n/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Agonist activity at Nurr1 in mouse N2A cells harboring NBRE by luciferase reporter gene assay


Bioorg Med Chem Lett 29: 929-932 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.024
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Mus musculus)
BDBM50517830
PNG
(CHEMBL4475835)
Show SMILES Fc1cccc(NC(=O)c2cn3cc(ccc3n2)-c2ccccn2)c1F
Show InChI InChI=1S/C19H12F2N4O/c20-13-4-3-6-15(18(13)21)24-19(26)16-11-25-10-12(7-8-17(25)23-16)14-5-1-2-9-22-14/h1-11H,(H,24,26)
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n/an/an/an/a 1.20n/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Agonist activity at Nurr1 in mouse N2A cells harboring NBRE by luciferase reporter gene assay


Bioorg Med Chem Lett 29: 929-932 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.024
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50212417
PNG
(3-(4-(trifluoromethoxy)-3-(4,4,6-trimethyl-2-oxo-1...)
Show SMILES Cc1cc2c(cc1-c1cc(CCC(O)=O)ccc1OC(F)(F)F)N(CC(F)(F)F)C(=O)CC2(C)C
Show InChI InChI=1S/C24H23F6NO4/c1-13-8-17-18(31(12-23(25,26)27)20(32)11-22(17,2)3)10-15(13)16-9-14(5-7-21(33)34)4-6-19(16)35-24(28,29)30/h4,6,8-10H,5,7,11-12H2,1-3H3,(H,33,34)
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n/an/an/an/a 1.40n/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Activity at RXRalpha by GAL4DNA cotransfection assay


Bioorg Med Chem Lett 17: 3491-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.049
BindingDB Entry DOI: 10.7270/Q2T153B1
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50101444
PNG
((E)-3-Methyl-5-[2-methyl-2-(5,5,8,8-tetramethyl-5,...)
Show SMILES C\C(\C=C\C1CC1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C24H32O2/c1-16(13-21(25)26)7-8-18-15-24(18,6)17-9-10-19-20(14-17)23(4,5)12-11-22(19,2)3/h7-10,13-14,18H,11-12,15H2,1-6H3,(H,25,26)/b8-7+,16-13+
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n/an/an/an/a 1.5n/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 alpha 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
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
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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n/an/an/an/a 1.5n/an/an/an/a



Allergan Inc

Curated by ChEMBL


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


J Med Chem 44: 2298-303 (2001)


Article DOI: 10.1021/jm0100584
BindingDB Entry DOI: 10.7270/Q2P84B41
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50212277
PNG
((E)-3-(3-(1-ethyl-4,4,6-trimethyl-2-oxo-1,2,3,4-te...)
Show SMILES CCN1C(=O)CC(C)(C)c2cc(C)c(cc12)-c1cc(\C=C\C(O)=O)ccc1OC(F)(F)F
Show InChI InChI=1S/C24H24F3NO4/c1-5-28-19-12-16(14(2)10-18(19)23(3,4)13-21(28)29)17-11-15(7-9-22(30)31)6-8-20(17)32-24(25,26)27/h6-12H,5,13H2,1-4H3,(H,30,31)/b9-7+
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n/an/an/an/a 1.80n/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Activity at RXRalpha by GAL4DNA cotransfection assay


Bioorg Med Chem Lett 17: 3491-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.049
BindingDB Entry DOI: 10.7270/Q2T153B1
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50212277
PNG
((E)-3-(3-(1-ethyl-4,4,6-trimethyl-2-oxo-1,2,3,4-te...)
Show SMILES CCN1C(=O)CC(C)(C)c2cc(C)c(cc12)-c1cc(\C=C\C(O)=O)ccc1OC(F)(F)F
Show InChI InChI=1S/C24H24F3NO4/c1-5-28-19-12-16(14(2)10-18(19)23(3,4)13-21(28)29)17-11-15(7-9-22(30)31)6-8-20(17)32-24(25,26)27/h6-12H,5,13H2,1-4H3,(H,30,31)/b9-7+
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n/an/an/an/a 1.80n/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Activity at RXRalpha by GAL4DNA cotransfection assay


Bioorg Med Chem Lett 17: 3497-503 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.047
BindingDB Entry DOI: 10.7270/Q2FQ9W93
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50212275
PNG
(3-(4-(trifluoromethoxy)-3-(4,4,6-trimethyl-2-oxo-1...)
Show SMILES Cc1cc2c(cc1-c1cc(\C=C\C(O)=O)ccc1OC(F)(F)F)N(CC(F)(F)F)C(=O)CC2(C)C
Show InChI InChI=1S/C24H21F6NO4/c1-13-8-17-18(31(12-23(25,26)27)20(32)11-22(17,2)3)10-15(13)16-9-14(5-7-21(33)34)4-6-19(16)35-24(28,29)30/h4-10H,11-12H2,1-3H3,(H,33,34)/b7-5+
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n/an/an/an/a 1.80n/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Activity at RXRalpha by GAL4DNA cotransfection assay


Bioorg Med Chem Lett 17: 3497-503 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.047
BindingDB Entry DOI: 10.7270/Q2FQ9W93
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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n/an/an/an/a 2n/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Transcriptional ativation of 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))
BDBM50129717
PNG
(7-(3,5-Diisopropyl-2-methoxy-phenyl)-3-methyl-octa...)
Show SMILES COc1c(cc(cc1\C(C)=C/C=C/C(/C)=C/C(O)=O)C(C)C)C(C)C
Show InChI InChI=1S/C22H30O3/c1-14(2)18-12-19(15(3)4)22(25-7)20(13-18)17(6)10-8-9-16(5)11-21(23)24/h8-15H,1-7H3,(H,23,24)/b9-8+,16-11+,17-10-
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n/an/an/an/a 2n/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Retinoic acid receptor RXR-alpha agonist activity in vitro


J Med Chem 46: 2683-96 (2003)


Article DOI: 10.1021/jm020340q
BindingDB Entry DOI: 10.7270/Q27H1HZ3
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Mus musculus)
BDBM50517824
PNG
(CHEMBL4455780)
Show SMILES O=C(Nc1ccccn1)c1cn2cc(ccc2n1)-c1ccccn1
Show InChI InChI=1S/C18H13N5O/c24-18(22-16-6-2-4-10-20-16)15-12-23-11-13(7-8-17(23)21-15)14-5-1-3-9-19-14/h1-12H,(H,20,22,24)
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n/an/an/an/a 2n/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Agonist activity at Nurr1 in mouse N2A cells harboring NBRE by luciferase reporter gene assay


Bioorg Med Chem Lett 29: 929-932 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.024
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50129726
PNG
((2E,4E,6Z)-7-(2-Ethoxy-3,5-diisopropyl-phenyl)-3-m...)
Show SMILES CCOc1c(cc(cc1\C(C)=C/C=C/C(/C)=C/C(O)=O)C(C)C)C(C)C
Show InChI InChI=1S/C23H32O3/c1-8-26-23-20(16(4)5)13-19(15(2)3)14-21(23)18(7)11-9-10-17(6)12-22(24)25/h9-16H,8H2,1-7H3,(H,24,25)/b10-9+,17-12+,18-11-
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n/an/an/an/a 2n/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Retinoic acid receptor RXR-alpha agonist activity in vitro


J Med Chem 46: 2683-96 (2003)


Article DOI: 10.1021/jm020340q
BindingDB Entry DOI: 10.7270/Q27H1HZ3
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50129726
PNG
((2E,4E,6Z)-7-(2-Ethoxy-3,5-diisopropyl-phenyl)-3-m...)
Show SMILES CCOc1c(cc(cc1\C(C)=C/C=C/C(/C)=C/C(O)=O)C(C)C)C(C)C
Show InChI InChI=1S/C23H32O3/c1-8-26-23-20(16(4)5)13-19(15(2)3)14-21(23)18(7)11-9-10-17(6)12-22(24)25/h9-16H,8H2,1-7H3,(H,24,25)/b10-9+,17-12+,18-11-
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Eli Lilly and Company

Curated by ChEMBL


Assay Description
Effective concentration required for agonistic activity in CV-1 cells expressing RXR-alpha


Bioorg Med Chem Lett 14: 2759-63 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.073
BindingDB Entry DOI: 10.7270/Q2513XNB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50212266
PNG
(3-(4-(trifluoromethoxy)-3-(4,4,6-trimethyl-2-oxo-1...)
Show SMILES CCCN1C(=O)CC(C)(C)c2cc(C)c(cc12)-c1cc(\C=C\C(O)=O)ccc1OC(F)(F)F
Show InChI InChI=1S/C25H26F3NO4/c1-5-10-29-20-13-17(15(2)11-19(20)24(3,4)14-22(29)30)18-12-16(7-9-23(31)32)6-8-21(18)33-25(26,27)28/h6-9,11-13H,5,10,14H2,1-4H3,(H,31,32)/b9-7+
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n/an/an/an/a 2.10n/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Activity at RXRalpha by GAL4DNA cotransfection assay


Bioorg Med Chem Lett 17: 3497-503 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.047
BindingDB Entry DOI: 10.7270/Q2FQ9W93
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50212403
PNG
((1R,2R)-2-(3-(1-ethyl-4,4,6-trimethyl-2-oxo-1,2,3,...)
Show SMILES CCN1C(=O)CC(C)(C)c2cc(C)c(cc12)-c1cc(ccc1OC(F)(F)F)[C@@H]1C[C@H]1C(O)=O
Show InChI InChI=1S/C25H26F3NO4/c1-5-29-20-11-15(13(2)8-19(20)24(3,4)12-22(29)30)17-9-14(16-10-18(16)23(31)32)6-7-21(17)33-25(26,27)28/h6-9,11,16,18H,5,10,12H2,1-4H3,(H,31,32)/t16-,18+/m0/s1
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n/an/an/an/a 2.30n/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Activity at RXRalpha by GAL4DNA cotransfection assay


Bioorg Med Chem Lett 17: 3491-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.049
BindingDB Entry DOI: 10.7270/Q2T153B1
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Mus musculus)
BDBM50517813
PNG
(CHEMBL4464547)
Show SMILES Fc1cc(F)cc(NC(=O)c2cn3cc(ccc3n2)-c2ccccn2)c1
Show InChI InChI=1S/C19H12F2N4O/c20-13-7-14(21)9-15(8-13)23-19(26)17-11-25-10-12(4-5-18(25)24-17)16-3-1-2-6-22-16/h1-11H,(H,23,26)
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n/an/an/an/a 2.5n/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Agonist activity at Nurr1 in mouse N2A cells harboring NBRE by luciferase reporter gene assay


Bioorg Med Chem Lett 29: 929-932 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.024
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-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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n/an/an/an/a 2.70n/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Agonist activity at human RXRalpha LBD by cell based luciferase reporter gene assay


J Med Chem 54: 788-808 (2012)


Article DOI: 10.1021/jm101063h
BindingDB Entry DOI: 10.7270/Q208668Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50143826
PNG
((E)-3-[4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1CCCc2oc(\C=C\C(O)=O)cc12
Show InChI InChI=1S/C25H30O3/c1-24(2)12-13-25(3,4)21-14-16(8-10-20(21)24)18-6-5-7-22-19(18)15-17(28-22)9-11-23(26)27/h8-11,14-15,18H,5-7,12-13H2,1-4H3,(H,26,27)/b11-9+
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n/an/an/an/a 3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Effective concentration for Retinoid X receptor alpha activity in CV-1 cells


J Med Chem 47: 2010-29 (2004)


Article DOI: 10.1021/jm030565g
BindingDB Entry DOI: 10.7270/Q2KH0MRC
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50132579
PNG
((2E,4E,6Z)-7-(2-Butoxy-3,5-di-tert-butyl-phenyl)-3...)
Show SMILES CCCCOc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(\C)=C/C=C/C(/C)=C/C(O)=O
Show InChI InChI=1S/C27H40O3/c1-10-11-15-30-25-22(20(3)14-12-13-19(2)16-24(28)29)17-21(26(4,5)6)18-23(25)27(7,8)9/h12-14,16-18H,10-11,15H2,1-9H3,(H,28,29)/b13-12+,19-16+,20-14-
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n/an/an/an/a 3.30n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Antagonist activity against Retinoic acid receptor RXR-alpha expressed in CV-1 cell transcriptional activation assay


Bioorg Med Chem Lett 13: 3191-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00703-0
BindingDB Entry DOI: 10.7270/Q2736Q9T
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50132584
PNG
((2Z,4E,6Z)-7-[3,5-Di-tert-butyl-2-(2,2-difluoro-et...)
Show SMILES C\C(\C=C\C=C(\C)c1cc(cc(c1OCC(F)F)C(C)(C)C)C(C)(C)C)=C(\F)C(O)=O
Show InChI InChI=1S/C25H33F3O3/c1-15(10-9-11-16(2)21(28)23(29)30)18-12-17(24(3,4)5)13-19(25(6,7)8)22(18)31-14-20(26)27/h9-13,20H,14H2,1-8H3,(H,29,30)/b11-9+,15-10-,21-16-
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n/an/an/an/a 3.40n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Antagonist activity against Retinoic acid receptor RXR-alpha expressed in CV-1 cell transcriptional activation assay


Bioorg Med Chem Lett 13: 3191-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00703-0
BindingDB Entry DOI: 10.7270/Q2736Q9T
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50212406
PNG
(3-(3-(1-isopropyl-4,4,6-trimethyl-2-oxo-1,2,3,4-te...)
Show SMILES CC(C)N1C(=O)CC(C)(C)c2cc(C)c(cc12)-c1cc(CCC(O)=O)ccc1OC(F)(F)F
Show InChI InChI=1S/C25H28F3NO4/c1-14(2)29-20-12-17(15(3)10-19(20)24(4,5)13-22(29)30)18-11-16(7-9-23(31)32)6-8-21(18)33-25(26,27)28/h6,8,10-12,14H,7,9,13H2,1-5H3,(H,31,32)
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n/an/an/an/a 3.40n/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Activity at RXRalpha by GAL4DNA cotransfection assay


Bioorg Med Chem Lett 17: 3491-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.049
BindingDB Entry DOI: 10.7270/Q2T153B1
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens (Human))
BDBM50371201
PNG
(CHEMBL399807)
Show SMILES Cn1c(cc2onc(-c3ccccc3)c2c1=O)-c1ccc(COCCO)cc1
Show InChI InChI=1S/C22H20N2O4/c1-24-18(16-9-7-15(8-10-16)14-27-12-11-25)13-19-20(22(24)26)21(23-28-19)17-5-3-2-4-6-17/h2-10,13,25H,11-12,14H2,1H3
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n/an/an/an/a 3.5n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Activation of Nurr1 expressed in MN9D cells by luciferase reporter gene assay


Bioorg Med Chem Lett 17: 193-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.062
BindingDB Entry DOI: 10.7270/Q23T9J2R
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50324896
PNG
(6-[N-Ethyl(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-...)
Show SMILES CCN(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(cn1)C(O)=O
Show InChI InChI=1S/C22H28N2O2/c1-6-24(19-10-7-15(14-23-19)20(25)26)16-8-9-17-18(13-16)22(4,5)12-11-21(17,2)3/h7-10,13-14H,6,11-12H2,1-5H3,(H,25,26)
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n/an/an/an/a 3.80n/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Partial agonist activity at RXRalpha (unknown origin) expressed in COS1 cells after 18 hrs by luciferase reporter gene assay


J Med Chem 56: 1865-77 (2013)


Article DOI: 10.1021/jm400033f
BindingDB Entry DOI: 10.7270/Q2348MR8
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens (Human))
BDBM50371206
PNG
(CHEMBL401032)
Show SMILES COCCOCc1ccc(cc1)-c1cc2onc(-c3ccccc3)c2c(=O)n1C
Show InChI InChI=1S/C23H22N2O4/c1-25-19(17-10-8-16(9-11-17)15-28-13-12-27-2)14-20-21(23(25)26)22(24-29-20)18-6-4-3-5-7-18/h3-11,14H,12-13,15H2,1-2H3
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n/an/an/an/a 3.90n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Activation of Nurr1 expressed in MN9D cells by luciferase reporter gene assay


Bioorg Med Chem Lett 17: 193-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.062
BindingDB Entry DOI: 10.7270/Q23T9J2R
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50032671
PNG
(6-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-TETRAHYDRONAPH...)
Show SMILES Cc1cc2c(cc1C1(CC1)c1ccc(cn1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H29NO2/c1-15-12-18-19(23(4,5)9-8-22(18,2)3)13-17(15)24(10-11-24)20-7-6-16(14-25-20)21(26)27/h6-7,12-14H,8-11H2,1-5H3,(H,26,27)
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n/an/an/an/a 4n/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Ability to activate gene expression at Retinoic acid receptor RXR-alpha was evaluated in a cotransfection assay.


J Med Chem 38: 3146-55 (1995)


Article DOI: 10.1021/jm00016a018
BindingDB Entry DOI: 10.7270/Q2542MMT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50101446
PNG
((2E,4E)-3-Methyl-5-[(1R,2R)-2-methyl-2-(5,5,8,8-te...)
Show SMILES C\C(\C=C\[C@H]1C[C@@]1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C24H32O2/c1-16(13-21(25)26)7-8-18-15-24(18,6)17-9-10-19-20(14-17)23(4,5)12-11-22(19,2)3/h7-10,13-14,18H,11-12,15H2,1-6H3,(H,25,26)/b8-7+,16-13+/t18-,24-/m0/s1
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n/an/an/an/a 4n/an/an/an/a



Allergan Inc

Curated by ChEMBL


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


J Med Chem 44: 2298-303 (2001)


Article DOI: 10.1021/jm0100584
BindingDB Entry DOI: 10.7270/Q2P84B41
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50143825
PNG
(5-[1-[4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-na...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1CCCc2oc(C=C3SC(O)=NC3=O)cc12
Show InChI InChI=1S/C26H29NO3S/c1-25(2)10-11-26(3,4)20-12-15(8-9-19(20)25)17-6-5-7-21-18(17)13-16(30-21)14-22-23(28)27-24(29)31-22/h8-9,12-14,17H,5-7,10-11H2,1-4H3,(H,27,28,29)
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n/an/an/an/a 4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Effective concentration for Retinoid X receptor alpha activity in CV-1 cells


J Med Chem 47: 2010-29 (2004)


Article DOI: 10.1021/jm030565g
BindingDB Entry DOI: 10.7270/Q2KH0MRC
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50143826
PNG
((E)-3-[4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1CCCc2oc(\C=C\C(O)=O)cc12
Show InChI InChI=1S/C25H30O3/c1-24(2)12-13-25(3,4)21-14-16(8-10-20(21)24)18-6-5-7-22-19(18)15-17(28-22)9-11-23(26)27/h8-11,14-15,18H,5-7,12-13H2,1-4H3,(H,26,27)/b11-9+
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n/an/an/an/a 4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Effective concentration for lipogenesis induced by retinoid X receptor alpha in C3H10T1/2 clone 8 fibroblast cells


J Med Chem 47: 2010-29 (2004)


Article DOI: 10.1021/jm030565g
BindingDB Entry DOI: 10.7270/Q2KH0MRC
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50285919
PNG
(2-[(E)-2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro...)
Show SMILES C\C(=C/c1ncc(s1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C22H27NO2S/c1-13-9-16-17(22(5,6)8-7-21(16,3)4)11-15(13)14(2)10-19-23-12-18(26-19)20(24)25/h9-12H,7-8H2,1-6H3,(H,24,25)/b14-10+
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n/an/an/an/a 4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity for retinoic acid receptor RXR alpha in transcriptional activation assay


Bioorg Med Chem Lett 5: 2729-2734 (1995)


Article DOI: 10.1016/0960-894X(95)00455-3
BindingDB Entry DOI: 10.7270/Q22N527N
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50129725
PNG
((2E,4E,6Z)-7-(2-Butoxy-3,5-diisopropyl-phenyl)-3-m...)
Show SMILES CCCCOc1c(cc(cc1\C(C)=C/C=C/C(/C)=C/C(O)=O)C(C)C)C(C)C
Show InChI InChI=1S/C25H36O3/c1-8-9-13-28-25-22(18(4)5)15-21(17(2)3)16-23(25)20(7)12-10-11-19(6)14-24(26)27/h10-12,14-18H,8-9,13H2,1-7H3,(H,26,27)/b11-10+,19-14+,20-12-
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n/an/an/an/a 4n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Effective concentration for antagonistic activity against RXR-alpha expressed in CV-1 cells


Bioorg Med Chem Lett 14: 2759-63 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.073
BindingDB Entry DOI: 10.7270/Q2513XNB
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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n/an/an/an/a 4n/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
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens (Human))
BDBM50196289
PNG
(6-(4-methoxyphenyl)-5-methyl-3-phenylisoxazolo[4,5...)
Show SMILES COc1ccc(cc1)-c1cc2onc(-c3ccccc3)c2c(=O)n1C
Show InChI InChI=1S/C20H16N2O3/c1-22-16(13-8-10-15(24-2)11-9-13)12-17-18(20(22)23)19(21-25-17)14-6-4-3-5-7-14/h3-12H,1-2H3
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n/an/an/an/a 4.10n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Activation of Nurr1 expressed in MN9D cells by luciferase reporter gene assay


Bioorg Med Chem Lett 17: 193-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.062
BindingDB Entry DOI: 10.7270/Q23T9J2R
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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n/an/an/an/a 5n/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Transcriptional ativation of 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))
BDBM50212427
PNG
(2-(3-(1-isopropyl-4,4,6-trimethyl-2-oxo-1,2,3,4-te...)
Show SMILES CC(C)N1C(=O)CC(C)(C)c2cc(C)c(cc12)-c1cc(ccc1OC(F)(F)F)C1CC1C(O)=O
Show InChI InChI=1S/C26H28F3NO4/c1-13(2)30-21-11-16(14(3)8-20(21)25(4,5)12-23(30)31)18-9-15(17-10-19(17)24(32)33)6-7-22(18)34-26(27,28)29/h6-9,11,13,17,19H,10,12H2,1-5H3,(H,32,33)
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n/an/an/an/a 5n/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Activity at RXRalpha by GAL4DNA cotransfection assay


Bioorg Med Chem Lett 17: 3491-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.049
BindingDB Entry DOI: 10.7270/Q2T153B1
More data for this
Ligand-Target Pair
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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n/an/an/an/a 5n/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Transcriptional activity was evaluated in CV-1 cells transfected with expression vector for Retinoic acid receptor RXR-alpha


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))
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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n/an/an/an/a 5n/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Transcriptional activity was evaluated in CV-1 cells transfected with expression vector for Retinoic acid receptor RXR-alpha


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
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