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Compile Data Set for Download or QSAR

Found 1590 hits of ec50 for UniProtKB: P55055   
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
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-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-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)
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)
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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n/an/an/an/a 0.212n/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))
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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n/an/an/an/a 0.228n/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))
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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n/an/an/an/a 0.281n/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))
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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n/an/an/an/a 0.341n/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))
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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n/an/an/an/a 0.369n/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))
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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n/an/an/an/a 0.430n/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))
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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n/an/an/an/a 0.445n/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))
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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n/an/an/an/a 0.474n/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


(Homo sapiens (Human))
BDBM50204072
PNG
(CHEMBL3945199 | US10543183, Compound 12 | US109459...)
Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1c(Cl)cccc1Cl)-c1ccc(cc1F)-c1cc(F)c(CO)c(c1)S(C)(=O)=O
Show InChI InChI=1S/C29H28Cl2F2N2O4S/c1-28(2,26-19(30)7-6-8-20(26)31)27-34-25(29(3,4)37)14-35(27)23-10-9-16(11-22(23)33)17-12-21(32)18(15-36)24(13-17)40(5,38)39/h6-14,36-37H,15H2,1-5H3
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n/an/an/an/a 0.600n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at LXR-beta in human HeLa cells assessed as induction of ABCA1 by beta-galactosidase/luciferase reporter gene assay


ACS Med Chem Lett 7: 1207-1212 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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n/an/an/an/a 0.632n/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))
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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n/an/an/an/a 0.680n/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))
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-beta


(Homo sapiens (Human))
BDBM50167697
PNG
((4aR,9S)-6-Hydroxy-1,4a-dimethyl-1,2,3,4,4a,9,10,1...)
Show SMILES CC1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21
Show InChI InChI=1S/C34H43NO4/c1-31-15-5-17-33(3,27(31)13-9-21-7-11-23(36)19-25(21)31)29(38)35-30(39)34(4)18-6-16-32(2)26-20-24(37)12-8-22(26)10-14-28(32)34/h7-8,11-12,19-20,27-28,36-37H,5-6,9-10,13-18H2,1-4H3,(H,35,38,39)/t27-,28-,31-,32-,33+,34?/m1/s1
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n/an/an/an/a 1n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration for cofactor association with recombinant liver X receptor-beta


Bioorg Med Chem Lett 15: 2824-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.100
BindingDB Entry DOI: 10.7270/Q29G5NM2
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50204073
PNG
(CHEMBL3917300)
Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1c(F)cccc1Cl)-c1ccc(cc1F)-c1cc(F)c(CO)c(c1)S(C)(=O)=O
Show InChI InChI=1S/C29H28ClF3N2O4S/c1-28(2,26-19(30)7-6-8-20(26)31)27-34-25(29(3,4)37)14-35(27)23-10-9-16(11-22(23)33)17-12-21(32)18(15-36)24(13-17)40(5,38)39/h6-14,36-37H,15H2,1-5H3
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at LXR-beta in human HeLa cells assessed as induction of ABCA1 by beta-galactosidase/luciferase reporter gene assay


ACS Med Chem Lett 7: 1207-1212 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50167698
PNG
(13-hydroxy-2,6-dimethyl-(2S,7R)-tricyclo[8.4.0.02,...)
Show SMILES CC1(CCCC2(C)C1CCc1ccc(O)cc21)C(=O)OC(=O)C1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21
Show InChI InChI=1S/C34H42O5/c1-31-15-5-17-33(3,27(31)13-9-21-7-11-23(35)19-25(21)31)29(37)39-30(38)34(4)18-6-16-32(2)26-20-24(36)12-8-22(26)10-14-28(32)34/h7-8,11-12,19-20,27-28,35-36H,5-6,9-10,13-18H2,1-4H3/t27-,28?,31-,32?,33?,34?/m1/s1
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n/an/an/an/a 1n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against liver X receptor-beta in HEK293 cell transactivation assay


Bioorg Med Chem Lett 15: 2824-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.100
BindingDB Entry DOI: 10.7270/Q29G5NM2
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50167697
PNG
((4aR,9S)-6-Hydroxy-1,4a-dimethyl-1,2,3,4,4a,9,10,1...)
Show SMILES CC1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21
Show InChI InChI=1S/C34H43NO4/c1-31-15-5-17-33(3,27(31)13-9-21-7-11-23(36)19-25(21)31)29(38)35-30(39)34(4)18-6-16-32(2)26-20-24(37)12-8-22(26)10-14-28(32)34/h7-8,11-12,19-20,27-28,36-37H,5-6,9-10,13-18H2,1-4H3,(H,35,38,39)/t27-,28-,31-,32-,33+,34?/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration in recombinant human LXRbeta ligand binding domain in homogeneous time-resolved fluorescence assay


Bioorg Med Chem Lett 15: 4574-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50415821
PNG
(CHEMBL1093554)
Show SMILES CS(=O)(=O)c1cccc(c1)-c1ccc(CN(Cc2c(F)cccc2Cl)S(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C27H23ClFNO4S2/c1-35(31,32)24-10-5-7-22(17-24)21-15-13-20(14-16-21)18-30(19-25-26(28)11-6-12-27(25)29)36(33,34)23-8-3-2-4-9-23/h2-17H,18-19H2,1H3
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at LXRbeta ligand binding domain-mediated transcriptional activity in african green monkey CV1 cells co-transfected with Gal4-SRC1 b...


J Med Chem 53: 3412-6 (2010)


Article DOI: 10.1021/jm901797p
BindingDB Entry DOI: 10.7270/Q2NP25P6
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50177010
PNG
(CHEMBL3814006)
Show SMILES CS(=O)(=O)c1cc(ccc1CO)-c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccccc2C(F)(F)F)s1
Show InChI InChI=1S/C27H24F3NO5S3/c1-38(33,34)26-15-20(11-12-21(26)18-32)24-14-13-22(37-24)17-31(16-19-7-3-2-4-8-19)39(35,36)25-10-6-5-9-23(25)27(28,29)30/h2-15,32H,16-18H2,1H3
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n/an/an/an/a 1n/an/an/an/a



Vitae Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding to human LXRbeta


J Med Chem 59: 3264-71 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02029
BindingDB Entry DOI: 10.7270/Q2XP76V7
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta/Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50551959
PNG
(CHEMBL4759393)
Show SMILES CC(C)(C)OC(=O)N1CCC2(C1c1cccc(c1)-c1ccccc1)C(=O)Nc1ccccc21
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n/an/an/an/a 1.60n/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


(Homo sapiens (Human))
BDBM50204082
PNG
(CHEMBL3945820)
Show SMILES CC(c1nc(cn1-c1ccc(cc1F)-c1cc(F)c(CO)c(c1)S(C)(=O)=O)C(C)(C)O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H26Cl2F2N2O4S/c1-15(26-19(29)6-5-7-20(26)30)27-33-25(28(2,3)36)13-34(27)23-9-8-16(10-22(23)32)17-11-21(31)18(14-35)24(12-17)39(4,37)38/h5-13,15,35-36H,14H2,1-4H3
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at LXR-beta in human HeLa cells assessed as induction of ABCA1 by beta-galactosidase/luciferase reporter gene assay


ACS Med Chem Lett 7: 1207-1212 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50204078
PNG
(CHEMBL3926292)
Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1ccccc1Cl)-c1ccc(cc1F)-c1cc(F)c(CO)c(c1)S(C)(=O)=O
Show InChI InChI=1S/C29H29ClF2N2O4S/c1-28(2,20-8-6-7-9-21(20)30)27-33-26(29(3,4)36)15-34(27)24-11-10-17(12-23(24)32)18-13-22(31)19(16-35)25(14-18)39(5,37)38/h6-15,35-36H,16H2,1-5H3
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at LXR-beta in human HeLa cells assessed as induction of ABCA1 by beta-galactosidase/luciferase reporter gene assay


ACS Med Chem Lett 7: 1207-1212 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50167694
PNG
(2,6-dimethyl-13-methylcarbonyloxy-(2S)-tricyclo[8....)
Show SMILES CC(=O)Oc1ccc2CC[C@H]3C(C)(CCC[C@]3(C)c2c1)C(=O)OC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(OC(C)=O)cc21
Show InChI InChI=1S/C38H46O7/c1-23(39)43-27-13-9-25-11-15-31-35(3,29(25)21-27)17-7-19-37(31,5)33(41)45-34(42)38(6)20-8-18-36(4)30-22-28(44-24(2)40)14-10-26(30)12-16-32(36)38/h9-10,13-14,21-22,31-32H,7-8,11-12,15-20H2,1-6H3/t31-,32-,35-,36-,37+,38?/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration in recombinant human LXRbeta ligand binding domain in homogeneous time-resolved fluorescence assay


Bioorg Med Chem Lett 15: 4574-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50167694
PNG
(2,6-dimethyl-13-methylcarbonyloxy-(2S)-tricyclo[8....)
Show SMILES CC(=O)Oc1ccc2CC[C@H]3C(C)(CCC[C@]3(C)c2c1)C(=O)OC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(OC(C)=O)cc21
Show InChI InChI=1S/C38H46O7/c1-23(39)43-27-13-9-25-11-15-31-35(3,29(25)21-27)17-7-19-37(31,5)33(41)45-34(42)38(6)20-8-18-36(4)30-22-28(44-24(2)40)14-10-26(30)12-16-32(36)38/h9-10,13-14,21-22,31-32H,7-8,11-12,15-20H2,1-6H3/t31-,32-,35-,36-,37+,38?/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration for cofactor association with recombinant liver X receptor-beta


Bioorg Med Chem Lett 15: 2824-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.100
BindingDB Entry DOI: 10.7270/Q29G5NM2
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50034791
PNG
(CHEMBL3360960)
Show SMILES CS(=O)(=O)c1cccc(c1)-c1ccc(s1)-c1cc(c(C#N)c(=O)n1Cc1ccc(F)cc1F)C(F)(F)F
Show InChI InChI=1S/C25H15F5N2O3S2/c1-37(34,35)17-4-2-3-14(9-17)22-7-8-23(36-22)21-11-19(25(28,29)30)18(12-31)24(33)32(21)13-15-5-6-16(26)10-20(15)27/h2-11H,13H2,1H3
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Transactivation of LXRbeta (unknown origin) expressed in CV1 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 25: 372-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.029
BindingDB Entry DOI: 10.7270/Q2154JN9
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50204074
PNG
(CHEMBL3910597)
Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1c(Cl)cccc1Cl)-c1ccc(cc1Cl)-c1cc(F)c(CO)c(c1)S(C)(=O)=O
Show InChI InChI=1S/C29H28Cl3FN2O4S/c1-28(2,26-19(30)7-6-8-20(26)31)27-34-25(29(3,4)37)14-35(27)23-10-9-16(11-21(23)32)17-12-22(33)18(15-36)24(13-17)40(5,38)39/h6-14,36-37H,15H2,1-5H3
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at LXR-beta in human HeLa cells assessed as induction of ABCA1 by beta-galactosidase/luciferase reporter gene assay


ACS Med Chem Lett 7: 1207-1212 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50204079
PNG
(CHEMBL3935187)
Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1c(Cl)cccc1Cl)-c1ccc(cc1)-c1cc(F)c(CO)c(c1)S(C)(=O)=O
Show InChI InChI=1S/C29H29Cl2FN2O4S/c1-28(2,26-21(30)7-6-8-22(26)31)27-33-25(29(3,4)36)15-34(27)19-11-9-17(10-12-19)18-13-23(32)20(16-35)24(14-18)39(5,37)38/h6-15,35-36H,16H2,1-5H3
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n/an/an/an/a 3n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at LXR-beta in human HeLa cells assessed as induction of ABCA1 by beta-galactosidase/luciferase reporter gene assay


ACS Med Chem Lett 7: 1207-1212 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50167697
PNG
((4aR,9S)-6-Hydroxy-1,4a-dimethyl-1,2,3,4,4a,9,10,1...)
Show SMILES CC1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21
Show InChI InChI=1S/C34H43NO4/c1-31-15-5-17-33(3,27(31)13-9-21-7-11-23(36)19-25(21)31)29(38)35-30(39)34(4)18-6-16-32(2)26-20-24(37)12-8-22(26)10-14-28(32)34/h7-8,11-12,19-20,27-28,36-37H,5-6,9-10,13-18H2,1-4H3,(H,35,38,39)/t27-,28-,31-,32-,33+,34?/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration in transactivation assay using a chimeric LXR construct in HEK-293 cells for LXRbeta receptor


Bioorg Med Chem Lett 15: 4574-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50241903
PNG
(CHEMBL506838 | acetyl Podocarpic acid anhydride)
Show SMILES CC(=O)Oc1ccc2CC[C@H]3[C@](C)(CCC[C@]3(C)c2c1)C(=O)OC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(OC(C)=O)cc21 |r|
Show InChI InChI=1S/C38H46O7/c1-23(39)43-27-13-9-25-11-15-31-35(3,29(25)21-27)17-7-19-37(31,5)33(41)45-34(42)38(6)20-8-18-36(4)30-22-28(44-24(2)40)14-10-26(30)12-16-32(36)38/h9-10,13-14,21-22,31-32H,7-8,11-12,15-20H2,1-6H3/t31-,32-,35-,36-,37+,38+/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant LXRbeta expressed in Escherichia coli BL21 cells assessed as association of recombinant SRC1 to LXRbeta ligand ...


J Nat Prod 68: 1247-52 (2005)


Article DOI: 10.1021/np050182g
BindingDB Entry DOI: 10.7270/Q2GH9HQ5
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50167697
PNG
((4aR,9S)-6-Hydroxy-1,4a-dimethyl-1,2,3,4,4a,9,10,1...)
Show SMILES CC1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21
Show InChI InChI=1S/C34H43NO4/c1-31-15-5-17-33(3,27(31)13-9-21-7-11-23(36)19-25(21)31)29(38)35-30(39)34(4)18-6-16-32(2)26-20-24(37)12-8-22(26)10-14-28(32)34/h7-8,11-12,19-20,27-28,36-37H,5-6,9-10,13-18H2,1-4H3,(H,35,38,39)/t27-,28-,31-,32-,33+,34?/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against liver X receptor-beta in HEK293 cell transactivation assay


Bioorg Med Chem Lett 15: 2824-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.100
BindingDB Entry DOI: 10.7270/Q29G5NM2
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50167698
PNG
(13-hydroxy-2,6-dimethyl-(2S,7R)-tricyclo[8.4.0.02,...)
Show SMILES CC1(CCCC2(C)C1CCc1ccc(O)cc21)C(=O)OC(=O)C1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21
Show InChI InChI=1S/C34H42O5/c1-31-15-5-17-33(3,27(31)13-9-21-7-11-23(35)19-25(21)31)29(37)39-30(38)34(4)18-6-16-32(2)26-20-24(36)12-8-22(26)10-14-28(32)34/h7-8,11-12,19-20,27-28,35-36H,5-6,9-10,13-18H2,1-4H3/t27-,28?,31-,32?,33?,34?/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration for cofactor association with recombinant liver X receptor-beta


Bioorg Med Chem Lett 15: 2824-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.100
BindingDB Entry DOI: 10.7270/Q29G5NM2
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50415819
PNG
(CHEMBL1091976)
Show SMILES Cc1ccccc1S(=O)(=O)N(Cc1ccc(cc1)-c1cccc(c1)S(C)(=O)=O)Cc1c(F)cccc1Cl
Show InChI InChI=1S/C28H25ClFNO4S2/c1-20-7-3-4-12-28(20)37(34,35)31(19-25-26(29)10-6-11-27(25)30)18-21-13-15-22(16-14-21)23-8-5-9-24(17-23)36(2,32)33/h3-17H,18-19H2,1-2H3
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n/an/an/an/a 3.20n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at LXRbeta ligand binding domain-mediated transcriptional activity in african green monkey CV1 cells co-transfected with Gal4-SRC1 b...


J Med Chem 53: 3412-6 (2010)


Article DOI: 10.1021/jm901797p
BindingDB Entry DOI: 10.7270/Q2NP25P6
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50415825
PNG
(CHEMBL1091034)
Show SMILES CS(=O)(=O)c1cccc(c1)-c1ccc(CN(Cc2ccc(F)cc2Cl)S(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C27H23ClFNO4S2/c1-35(31,32)26-9-5-6-22(16-26)21-12-10-20(11-13-21)18-30(19-23-14-15-24(29)17-27(23)28)36(33,34)25-7-3-2-4-8-25/h2-17H,18-19H2,1H3
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n/an/an/an/a 3.20n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at LXRbeta ligand binding domain-mediated transcriptional activity in african green monkey CV1 cells co-transfected with Gal4-SRC1 b...


J Med Chem 53: 3412-6 (2010)


Article DOI: 10.1021/jm901797p
BindingDB Entry DOI: 10.7270/Q2NP25P6
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50177011
PNG
(CHEMBL3815014 | US10144715, Compound 7-13)
Show SMILES CC(C)[C@@H]1CN(CCN1c1nccc(n1)C(F)(F)F)c1cccc(c1)S(C)(=O)=O |r|
Show InChI InChI=1S/C19H23F3N4O2S/c1-13(2)16-12-25(14-5-4-6-15(11-14)29(3,27)28)9-10-26(16)18-23-8-7-17(24-18)19(20,21)22/h4-8,11,13,16H,9-10,12H2,1-3H3/t16-/m0/s1
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n/an/an/an/a 4n/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
This assay is based on the ability of the LXR-LBDs (LXRα and LXRβ) to recruit and interact with a co-activator peptide. This assay was run ...


US Patent US10144715 (2018)


BindingDB Entry DOI: 10.7270/Q2PV6NFD
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM304359
PNG
((R)-2-isopropyl-4-(3-(methylsulfonyl)phenyl)-1-(5-...)
Show SMILES CC(C)[C@@H]1CN(CCN1c1ccc(cn1)C(F)(F)F)c1cccc(c1)S(C)(=O)=O |r|
Show InChI InChI=1S/C20H24F3N3O2S/c1-14(2)18-13-25(16-5-4-6-17(11-16)29(3,27)28)9-10-26(18)19-8-7-15(12-24-19)20(21,22)23/h4-8,11-12,14,18H,9-10,13H2,1-3H3/t18-/m0/s1
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n/an/an/an/a 4n/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
This assay is based on the ability of the LXR-LBDs (LXRα and LXRβ) to recruit and interact with a co-activator peptide. This assay was run ...


US Patent US10144715 (2018)


BindingDB Entry DOI: 10.7270/Q2PV6NFD
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM27174
PNG
(1H-indol-1-yl tertiary amine, 18 | 2-{4-[3-({[2-ch...)
Show SMILES OC(=O)Cn1ccc2c(OCCCN(CC(c3ccccc3)c3ccccc3)Cc3cccc(c3Cl)C(F)(F)F)cccc12
Show InChI InChI=1S/C35H32ClF3N2O3/c36-34-27(14-7-15-30(34)35(37,38)39)22-40(23-29(25-10-3-1-4-11-25)26-12-5-2-6-13-26)19-9-21-44-32-17-8-16-31-28(32)18-20-41(31)24-33(42)43/h1-8,10-18,20,29H,9,19,21-24H2,(H,42,43)
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n/an/an/an/a 4n/an/a7.522



GSK



Assay Description
The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...


Bioorg Med Chem Lett 19: 1097-100 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.004
BindingDB Entry DOI: 10.7270/Q28W3BMD
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha/LXR-beta


(Homo sapiens (Human))
BDBM50177015
PNG
(CHEMBL3814206 | US10144715, Compound 19-1)
Show SMILES CC(C)[C@@H]1CN(CCN1c1ncc(CO)c(n1)C(F)(F)F)c1ccc(CO)c(c1)S(C)(=O)=O |r|
Show InChI InChI=1S/C21H27F3N4O4S/c1-13(2)17-10-27(16-5-4-14(11-29)18(8-16)33(3,31)32)6-7-28(17)20-25-9-15(12-30)19(26-20)21(22,23)24/h4-5,8-9,13,17,29-30H,6-7,10-12H2,1-3H3/t17-/m0/s1
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n/an/an/an/a 4n/an/an/an/a



Vitae Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at LXR in human THP1 cells assessed as upregulation of ABCA1 gene expression after 24 hrs by RT-PCR analysis


J Med Chem 59: 3264-71 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02029
BindingDB Entry DOI: 10.7270/Q2XP76V7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Oxysterols receptor LXR-beta


(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 4.70n/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at LXRbeta by TR-FRET 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)
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50204075
PNG
(CHEMBL3980683)
Show SMILES CC(C)(O)c1cn(c(Cc2c(Cl)cccc2Cl)n1)-c1ccc(cc1)-c1cc(F)c(CO)c(c1)S(C)(=O)=O
Show InChI InChI=1S/C27H25Cl2FN2O4S/c1-27(2,34)25-14-32(26(31-25)13-19-21(28)5-4-6-22(19)29)18-9-7-16(8-10-18)17-11-23(30)20(15-33)24(12-17)37(3,35)36/h4-12,14,33-34H,13,15H2,1-3H3
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n/an/an/an/a 5n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at LXR-beta in human HeLa cells assessed as induction of ABCA1 by beta-galactosidase/luciferase reporter gene assay


ACS Med Chem Lett 7: 1207-1212 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(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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n/an/an/an/a 5n/an/an/an/a



Vitae Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding to human LXRbeta


J Med Chem 59: 3264-71 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02029
BindingDB Entry DOI: 10.7270/Q2XP76V7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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