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Compile Data Set for Download or QSAR

Found 757 hits of ec50 for UniProtKB: P19793   
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))
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)


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 |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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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)


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)


BindingDB Entry DOI: 10.7270/Q2FN157S
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta/Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50551946
PNG
(CHEMBL4764328)
Show SMILES CC(C)(C)CC(=O)N1CC[C@@]2([C@H]1c1cccc(c1)-c1ccc(CO)c(c1)S(C)(=O)=O)C(=O)Nc1ccccc21 |r|
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n/an/an/an/a 0.0160n/an/an/an/a


TBA

Assay Description
Agonist activity at human RXRalpha/LXRbeta expressed in HEK293 cells measured after 20 hrs by dual luciferase reporter gene assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112240
BindingDB Entry DOI: 10.7270/Q2MG7T4D
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta/Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50551956
PNG
(CHEMBL4756418)
Show SMILES CC(C)(C)OC(=O)N1CC[C@@]2([C@H]1c1cccc(c1)-c1ccc(CO)c(c1)S(C)(=O)=O)C(=O)Nc1ccccc21 |r|
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n/an/an/an/a 0.0350n/an/an/an/a


TBA

Assay Description
Agonist activity at human RXRalpha/LXRbeta expressed in HEK293 cells measured after 20 hrs by dual luciferase reporter gene assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112240
BindingDB Entry DOI: 10.7270/Q2MG7T4D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Oxysterols receptor LXR-beta/Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50551953
PNG
(CHEMBL4764838)
Show SMILES COC(=O)c1ccc(cc1S(C)(=O)=O)-c1cccc(c1)[C@H]1N(CC[C@]11C(=O)Nc2ccccc12)C(=O)OC(C)(C)C |r|
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n/an/an/an/a 0.0520n/an/an/an/a


TBA

Assay Description
Agonist activity at human RXRalpha/LXRbeta expressed in HEK293 cells measured after 20 hrs by dual luciferase reporter gene assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112240
BindingDB Entry DOI: 10.7270/Q2MG7T4D
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta/Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50551945
PNG
(CHEMBL4747448)
Show SMILES CC(C)(C)CC(=O)N1CCC2(C1c1cccc(c1)-c1ccc(CO)c(c1)S(C)(=O)=O)C(=O)Nc1ccccc21
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n/an/an/an/a 0.0670n/an/an/an/a


TBA

Assay Description
Agonist activity at human RXRalpha/LXRbeta expressed in HEK293 cells measured after 20 hrs by dual luciferase reporter gene assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112240
BindingDB Entry DOI: 10.7270/Q2MG7T4D
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha/Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50551946
PNG
(CHEMBL4764328)
Show SMILES CC(C)(C)CC(=O)N1CC[C@@]2([C@H]1c1cccc(c1)-c1ccc(CO)c(c1)S(C)(=O)=O)C(=O)Nc1ccccc21 |r|
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n/an/an/an/a 0.0800n/an/an/an/a


TBA

Assay Description
Agonist activity at human RXRalpha/LXRalpha expressed in HEK293 cells measured after 20 hrs by dual luciferase reporter gene assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112240
BindingDB Entry DOI: 10.7270/Q2MG7T4D
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta/Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50551964
PNG
(CHEMBL4745005)
Show SMILES CC(C)(C)CC(=O)N1CC[C@]2([C@@H]1c1cccc(c1)-c1ccc(CO)c(c1)S(C)(=O)=O)C(=O)Nc1ccccc21 |r|
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n/an/an/an/a 0.0830n/an/an/an/a


TBA

Assay Description
Agonist activity at human RXRalpha/LXRbeta expressed in HEK293 cells measured after 20 hrs by dual luciferase reporter gene assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112240
BindingDB Entry DOI: 10.7270/Q2MG7T4D
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta/Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50551947
PNG
(CHEMBL4797369)
Show SMILES CC(C)(C)OC(=O)N1CC[C@@]2([C@H]1c1cccc(Nc3ccc(CO)c(c3)S(C)(=O)=O)c1)C(=O)Nc1ccccc21 |r|
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n/an/an/an/a 0.0880n/an/an/an/a


TBA

Assay Description
Agonist activity at human RXRalpha/LXRbeta expressed in HEK293 cells measured after 20 hrs by dual luciferase reporter gene assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112240
BindingDB Entry DOI: 10.7270/Q2MG7T4D
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta/Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50551950
PNG
(CHEMBL4757761)
Show SMILES CC(C)(C)OC(=O)N1CC[C@@]2([C@H]1c1cccc(c1)-c1cc(F)c(CO)c(c1)S(C)(=O)=O)C(=O)Nc1ccccc21 |r|
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n/an/an/an/a 0.0920n/an/an/an/a


TBA

Assay Description
Agonist activity at human RXRalpha/LXRbeta expressed in HEK293 cells measured after 20 hrs by dual luciferase reporter gene assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112240
BindingDB Entry DOI: 10.7270/Q2MG7T4D
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta/Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50551948
PNG
(CHEMBL4760781)
Show SMILES CC(C)(C)OC(=O)N1CCC2(C1c1cccc(Nc3ccc(CO)c(c3)S(C)(=O)=O)c1)C(=O)Nc1ccccc21
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n/an/an/an/a 0.0950n/an/an/an/a


TBA

Assay Description
Agonist activity at human RXRalpha/LXRbeta expressed in HEK293 cells measured after 20 hrs by dual luciferase reporter gene assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112240
BindingDB Entry DOI: 10.7270/Q2MG7T4D
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha/Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM19993
PNG
(CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2
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n/an/an/an/a 0.0980n/an/an/an/a


TBA

Assay Description
Agonist activity at human RXRalpha/LXRalpha expressed in HEK293 cells measured after 20 hrs by dual luciferase reporter gene assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112240
BindingDB Entry DOI: 10.7270/Q2MG7T4D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Oxysterols receptor LXR-beta/Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50551951
PNG
(CHEMBL4749385)
Show SMILES CC(C)(C)OC(=O)N1CCC2(C1c1cccc(c1)-c1cc(F)c(CO)c(c1)S(C)(=O)=O)C(=O)Nc1ccccc21
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n/an/an/an/a 0.103n/an/an/an/a


TBA

Assay Description
Agonist activity at human RXRalpha/LXRbeta expressed in HEK293 cells measured after 20 hrs by dual luciferase reporter gene assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112240
BindingDB Entry DOI: 10.7270/Q2MG7T4D
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta/Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM19993
PNG
(CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2
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n/an/an/an/a 0.108n/an/an/an/a


TBA

Assay Description
Agonist activity at human RXRalpha/LXRbeta expressed in HEK293 cells measured after 20 hrs by dual luciferase reporter gene assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112240
BindingDB Entry DOI: 10.7270/Q2MG7T4D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor RXR-alpha/RXR-beta/RXR-gamma


(Homo sapiens (Human))
BDBM50490451
PNG
(CHEMBL2325917)
Show SMILES CN(c1ccc(cc1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C23H29NO2/c1-15-13-18-19(23(4,5)12-11-22(18,2)3)14-20(15)24(6)17-9-7-16(8-10-17)21(25)26/h7-10,13-14H,11-12H2,1-6H3,(H,25,26)
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n/an/an/an/a 0.130n/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at RXR (unknown origin) in presence of RAR agonist Am80


Bioorg Med Chem Lett 23: 81-4 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.008
BindingDB Entry DOI: 10.7270/Q20C4ZPG
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/RXR-beta/RXR-gamma


(Homo sapiens (Human))
BDBM50490452
PNG
(CHEMBL2321917)
Show SMILES CCCN(c1ccc(cc1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C25H33NO2/c1-7-14-26(19-10-8-18(9-11-19)23(27)28)22-16-21-20(15-17(22)2)24(3,4)12-13-25(21,5)6/h8-11,15-16H,7,12-14H2,1-6H3,(H,27,28)
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n/an/an/an/a 0.140n/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at RXR (unknown origin) in presence of RAR agonist Am80


Bioorg Med Chem Lett 23: 81-4 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.008
BindingDB Entry DOI: 10.7270/Q20C4ZPG
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha/Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50551956
PNG
(CHEMBL4756418)
Show SMILES CC(C)(C)OC(=O)N1CC[C@@]2([C@H]1c1cccc(c1)-c1ccc(CO)c(c1)S(C)(=O)=O)C(=O)Nc1ccccc21 |r|
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n/an/an/an/a 0.145n/an/an/an/a


TBA

Assay Description
Agonist activity at human RXRalpha/LXRalpha expressed in HEK293 cells measured after 20 hrs by dual luciferase reporter gene assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112240
BindingDB Entry DOI: 10.7270/Q2MG7T4D
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha/Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50551964
PNG
(CHEMBL4745005)
Show SMILES CC(C)(C)CC(=O)N1CC[C@]2([C@@H]1c1cccc(c1)-c1ccc(CO)c(c1)S(C)(=O)=O)C(=O)Nc1ccccc21 |r|
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n/an/an/an/a 0.161n/an/an/an/a


TBA

Assay Description
Agonist activity at human RXRalpha/LXRalpha expressed in HEK293 cells measured after 20 hrs by dual luciferase reporter gene assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112240
BindingDB Entry DOI: 10.7270/Q2MG7T4D
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha/Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50551953
PNG
(CHEMBL4764838)
Show SMILES COC(=O)c1ccc(cc1S(C)(=O)=O)-c1cccc(c1)[C@H]1N(CC[C@]11C(=O)Nc2ccccc12)C(=O)OC(C)(C)C |r|
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n/an/an/an/a 0.174n/an/an/an/a


TBA

Assay Description
Agonist activity at human RXRalpha/LXRalpha expressed in HEK293 cells measured after 20 hrs by dual luciferase reporter gene assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112240
BindingDB Entry DOI: 10.7270/Q2MG7T4D
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta/Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50551957
PNG
(CHEMBL4755317)
Show SMILES CC(C)(C)OC(=O)N1CCC2(C1c1cccc(c1)-c1ccc(CO)c(c1)S(C)(=O)=O)C(=O)Nc1ccccc21
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n/an/an/an/a 0.174n/an/an/an/a


TBA

Assay Description
Agonist activity at human RXRalpha/LXRbeta expressed in HEK293 cells measured after 20 hrs by dual luciferase reporter gene assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112240
BindingDB Entry DOI: 10.7270/Q2MG7T4D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)


BindingDB Entry DOI: 10.7270/Q2P84B41
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta/Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM26066
PNG
(2-[(2-chloro-4-fluorophenyl)methyl]-3-(4-fluorophe...)
Show SMILES Fc1ccc(cc1)-c1n(Cc2ccc(F)cc2Cl)nc2c(cccc12)C(F)(F)F
Show InChI InChI=1S/C21H12ClF5N2/c22-18-10-15(24)9-6-13(18)11-29-20(12-4-7-14(23)8-5-12)16-2-1-3-17(19(16)28-29)21(25,26)27/h1-10H,11H2
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Assay Description
Agonist activity at human RXRalpha/LXRbeta expressed in HEK293 cells measured after 20 hrs by dual luciferase reporter gene assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112240
BindingDB Entry DOI: 10.7270/Q2MG7T4D
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha/Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50551945
PNG
(CHEMBL4747448)
Show SMILES CC(C)(C)CC(=O)N1CCC2(C1c1cccc(c1)-c1ccc(CO)c(c1)S(C)(=O)=O)C(=O)Nc1ccccc21
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Assay Description
Agonist activity at human RXRalpha/LXRalpha expressed in HEK293 cells measured after 20 hrs by dual luciferase reporter gene assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112240
BindingDB Entry DOI: 10.7270/Q2MG7T4D
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta/Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM19992
PNG
(2-[3-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methy...)
Show SMILES OC(=O)Cc1cccc(OCCCN(CC(c2ccccc2)c2ccccc2)Cc2cccc(c2Cl)C(F)(F)F)c1
Show InChI InChI=1S/C33H31ClF3NO3/c34-32-27(15-8-17-30(32)33(35,36)37)22-38(18-9-19-41-28-16-7-10-24(20-28)21-31(39)40)23-29(25-11-3-1-4-12-25)26-13-5-2-6-14-26/h1-8,10-17,20,29H,9,18-19,21-23H2,(H,39,40)
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Assay Description
Agonist activity at human RXRalpha/LXRbeta expressed in HEK293 cells measured after 20 hrs by dual luciferase reporter gene assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112240
BindingDB Entry DOI: 10.7270/Q2MG7T4D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Oxysterols receptor LXR-alpha/Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50551951
PNG
(CHEMBL4749385)
Show SMILES CC(C)(C)OC(=O)N1CCC2(C1c1cccc(c1)-c1cc(F)c(CO)c(c1)S(C)(=O)=O)C(=O)Nc1ccccc21
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Assay Description
Agonist activity at human RXRalpha/LXRalpha expressed in HEK293 cells measured after 20 hrs by dual luciferase reporter gene assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112240
BindingDB Entry DOI: 10.7270/Q2MG7T4D
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha/Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50551949
PNG
(CHEMBL4762546)
Show SMILES CC(C)(C)OC(=O)N1CC[C@]2([C@@H]1c1cccc(c1)-c1cc(F)c(CO)c(c1)S(C)(=O)=O)C(=O)Nc1ccccc21 |r|
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Assay Description
Agonist activity at human RXRalpha/LXRalpha expressed in HEK293 cells measured after 20 hrs by dual luciferase reporter gene assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112240
BindingDB Entry DOI: 10.7270/Q2MG7T4D
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha/Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50551947
PNG
(CHEMBL4797369)
Show SMILES CC(C)(C)OC(=O)N1CC[C@@]2([C@H]1c1cccc(Nc3ccc(CO)c(c3)S(C)(=O)=O)c1)C(=O)Nc1ccccc21 |r|
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Agonist activity at human RXRalpha/LXRalpha expressed in HEK293 cells measured after 20 hrs by dual luciferase reporter gene assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112240
BindingDB Entry DOI: 10.7270/Q2MG7T4D
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha/Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50551950
PNG
(CHEMBL4757761)
Show SMILES CC(C)(C)OC(=O)N1CC[C@@]2([C@H]1c1cccc(c1)-c1cc(F)c(CO)c(c1)S(C)(=O)=O)C(=O)Nc1ccccc21 |r|
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Assay Description
Agonist activity at human RXRalpha/LXRalpha expressed in HEK293 cells measured after 20 hrs by dual luciferase reporter gene assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112240
BindingDB Entry DOI: 10.7270/Q2MG7T4D
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha/Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50551948
PNG
(CHEMBL4760781)
Show SMILES CC(C)(C)OC(=O)N1CCC2(C1c1cccc(Nc3ccc(CO)c(c3)S(C)(=O)=O)c1)C(=O)Nc1ccccc21
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Assay Description
Agonist activity at human RXRalpha/LXRalpha expressed in HEK293 cells measured after 20 hrs by dual luciferase reporter gene assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112240
BindingDB Entry DOI: 10.7270/Q2MG7T4D
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta/Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50551949
PNG
(CHEMBL4762546)
Show SMILES CC(C)(C)OC(=O)N1CC[C@]2([C@@H]1c1cccc(c1)-c1cc(F)c(CO)c(c1)S(C)(=O)=O)C(=O)Nc1ccccc21 |r|
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Assay Description
Agonist activity at human RXRalpha/LXRbeta expressed in HEK293 cells measured after 20 hrs by dual luciferase reporter gene assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112240
BindingDB Entry DOI: 10.7270/Q2MG7T4D
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta/Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50551954
PNG
(CHEMBL4757158)
Show SMILES COC(=O)c1ccc(cc1S(C)(=O)=O)-c1cccc(c1)C1N(CCC11C(=O)Nc2ccccc12)C(=O)OC(C)(C)C
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Assay Description
Agonist activity at human RXRalpha/LXRbeta expressed in HEK293 cells measured after 20 hrs by dual luciferase reporter gene assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112240
BindingDB Entry DOI: 10.7270/Q2MG7T4D
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta/Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50551963
PNG
(CHEMBL4764539)
Show SMILES CN(C)C(=O)c1ccc(cc1Cl)-c1cccc(c1)[C@H]1N(CC[C@]11C(=O)Nc2ccccc12)C(=O)OC(C)(C)C |r|
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Assay Description
Agonist activity at human RXRalpha/LXRbeta expressed in HEK293 cells measured after 20 hrs by dual luciferase reporter gene assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112240
BindingDB Entry DOI: 10.7270/Q2MG7T4D
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha/Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50551957
PNG
(CHEMBL4755317)
Show SMILES CC(C)(C)OC(=O)N1CCC2(C1c1cccc(c1)-c1ccc(CO)c(c1)S(C)(=O)=O)C(=O)Nc1ccccc21
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Assay Description
Agonist activity at human RXRalpha/LXRalpha expressed in HEK293 cells measured after 20 hrs by dual luciferase reporter gene assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112240
BindingDB Entry DOI: 10.7270/Q2MG7T4D
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha/Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM19992
PNG
(2-[3-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methy...)
Show SMILES OC(=O)Cc1cccc(OCCCN(CC(c2ccccc2)c2ccccc2)Cc2cccc(c2Cl)C(F)(F)F)c1
Show InChI InChI=1S/C33H31ClF3NO3/c34-32-27(15-8-17-30(32)33(35,36)37)22-38(18-9-19-41-28-16-7-10-24(20-28)21-31(39)40)23-29(25-11-3-1-4-12-25)26-13-5-2-6-14-26/h1-8,10-17,20,29H,9,18-19,21-23H2,(H,39,40)
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Assay Description
Agonist activity at human RXRalpha/LXRalpha expressed in HEK293 cells measured after 20 hrs by dual luciferase reporter gene assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112240
BindingDB Entry DOI: 10.7270/Q2MG7T4D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Oxysterols receptor LXR-beta/Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50551955
PNG
(CHEMBL4777240)
Show SMILES CC(C)(C)OC(=O)N1CC[C@]2([C@@H]1c1cccc(c1)-c1ccc(CO)c(c1)S(C)(=O)=O)C(=O)Nc1ccccc21 |r|
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Assay Description
Agonist activity at human RXRalpha/LXRbeta expressed in HEK293 cells measured after 20 hrs by dual luciferase reporter gene assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112240
BindingDB Entry DOI: 10.7270/Q2MG7T4D
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha/Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM26066
PNG
(2-[(2-chloro-4-fluorophenyl)methyl]-3-(4-fluorophe...)
Show SMILES Fc1ccc(cc1)-c1n(Cc2ccc(F)cc2Cl)nc2c(cccc12)C(F)(F)F
Show InChI InChI=1S/C21H12ClF5N2/c22-18-10-15(24)9-6-13(18)11-29-20(12-4-7-14(23)8-5-12)16-2-1-3-17(19(16)28-29)21(25,26)27/h1-10H,11H2
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Assay Description
Agonist activity at human RXRalpha/LXRalpha expressed in HEK293 cells measured after 20 hrs by dual luciferase reporter gene assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112240
BindingDB Entry DOI: 10.7270/Q2MG7T4D
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta/Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50551962
PNG
(CHEMBL4781683)
Show SMILES CC(C)(C)OC(=O)N1CC[C@@]2([C@H]1c1cccc(c1)-c1ccc(CO)cc1)C(=O)Nc1ccccc21 |r|
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Assay Description
Agonist activity at human RXRalpha/LXRbeta expressed in HEK293 cells measured after 20 hrs by dual luciferase reporter gene assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112240
BindingDB Entry DOI: 10.7270/Q2MG7T4D
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta/Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50551944
PNG
(CHEMBL4748480)
Show SMILES CC(C)(C)OC(=O)N1CC[C@]2([C@@H]1c1cccc(Nc3ccc(CO)c(c3)S(C)(=O)=O)c1)C(=O)Nc1ccccc21 |r|
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Assay Description
Agonist activity at human RXRalpha/LXRbeta expressed in HEK293 cells measured after 20 hrs by dual luciferase reporter gene assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112240
BindingDB Entry DOI: 10.7270/Q2MG7T4D
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50409208
PNG
(CHEMBL5289973)
Show SMILES S=C(NCc1ccccc1)N1CCC(CC1)c1cnc[nH]1
Show InChI InChI=1S/C16H20N4S/c21-16(18-10-13-4-2-1-3-5-13)20-8-6-14(7-9-20)15-11-17-12-19-15/h1-5,11-12,14H,6-10H2,(H,17,19)(H,18,21)
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Assay Description
Inhibitory activity against Dihydrofolate reductase of Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta/Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50551961
PNG
(CHEMBL4791199)
Show SMILES CC(C)(C)OC(=O)N1CC[C@]2([C@@H]1c1cccc(c1)-c1ccccc1)C(=O)Nc1ccccc21 |r|
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Assay Description
Agonist activity at human RXRalpha/LXRbeta expressed in HEK293 cells measured after 20 hrs by dual luciferase reporter gene assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112240
BindingDB Entry DOI: 10.7270/Q2MG7T4D
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta/Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50551958
PNG
(CHEMBL4780872)
Show SMILES CC(C)(C)OC(=O)N1CC[C@@]2([C@H]1c1cccc(c1)-c1cccc(c1)S(C)(=O)=O)C(=O)Nc1ccccc21 |r|
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Assay Description
Agonist activity at human RXRalpha/LXRbeta expressed in HEK293 cells measured after 20 hrs by dual luciferase reporter gene assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112240
BindingDB Entry DOI: 10.7270/Q2MG7T4D
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha/Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50551954
PNG
(CHEMBL4757158)
Show SMILES COC(=O)c1ccc(cc1S(C)(=O)=O)-c1cccc(c1)C1N(CCC11C(=O)Nc2ccccc12)C(=O)OC(C)(C)C
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Assay Description
Agonist activity at human RXRalpha/LXRalpha expressed in HEK293 cells measured after 20 hrs by dual luciferase reporter gene assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112240
BindingDB Entry DOI: 10.7270/Q2MG7T4D
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha/Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50551961
PNG
(CHEMBL4791199)
Show SMILES CC(C)(C)OC(=O)N1CC[C@]2([C@@H]1c1cccc(c1)-c1ccccc1)C(=O)Nc1ccccc21 |r|
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Assay Description
Agonist activity at human RXRalpha/LXRalpha expressed in HEK293 cells measured after 20 hrs by dual luciferase reporter gene assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112240
BindingDB Entry DOI: 10.7270/Q2MG7T4D
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 |w:19.20,c:25|
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
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 |w:19.20,c:25|
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
Oxysterols receptor LXR-beta/Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50551952
PNG
(CHEMBL4762542)
Show SMILES COC(=O)c1ccc(cc1S(C)(=O)=O)-c1cccc(c1)[C@@H]1N(CC[C@@]11C(=O)Nc2ccccc12)C(=O)OC(C)(C)C |r|
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n/an/an/an/a 0.905n/an/an/an/a


TBA

Assay Description
Agonist activity at human RXRalpha/LXRbeta expressed in HEK293 cells measured after 20 hrs by dual luciferase reporter gene assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112240
BindingDB Entry DOI: 10.7270/Q2MG7T4D
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha/Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50551944
PNG
(CHEMBL4748480)
Show SMILES CC(C)(C)OC(=O)N1CC[C@]2([C@@H]1c1cccc(Nc3ccc(CO)c(c3)S(C)(=O)=O)c1)C(=O)Nc1ccccc21 |r|
PDB

UniProtKB/SwissProt

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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.928n/an/an/an/a


TBA

Assay Description
Agonist activity at human RXRalpha/LXRalpha expressed in HEK293 cells measured after 20 hrs by dual luciferase reporter gene assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112240
BindingDB Entry DOI: 10.7270/Q2MG7T4D
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha/Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50551955
PNG
(CHEMBL4777240)
Show SMILES CC(C)(C)OC(=O)N1CC[C@]2([C@@H]1c1cccc(c1)-c1ccc(CO)c(c1)S(C)(=O)=O)C(=O)Nc1ccccc21 |r|
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.940n/an/an/an/a


TBA

Assay Description
Agonist activity at human RXRalpha/LXRalpha expressed in HEK293 cells measured after 20 hrs by dual luciferase reporter gene assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112240
BindingDB Entry DOI: 10.7270/Q2MG7T4D
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma/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-
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1n/an/an/an/a



Ligand Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Transcriptional activity against RXR:PPAR-gamma synergy was determined 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
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