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Compile Data Set for Download or QSAR

Found 513 hits of ec50 data for polymerid = 2051,50007064   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Liver X receptor (LXR alpha AND 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
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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n/an/an/an/a 1n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


J Nat Prod 68: 1247-52 (2005)

More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND 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-alpha


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

More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND 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 against liver X receptor-alpha in HEK293 cell transactivation assay


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

More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND 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 for cofactor association with recombinant liver X receptor-alpha


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

More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND 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 in recombinant human LXRalpha ligand binding domain in homogeneous time-resolved fluorescence assay


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

More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND 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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n/an/an/an/a 2n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND 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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n/an/an/an/a 2n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration in transactivation assay using a chimeric LXR construct in HEK293 cells for LXRalpha receptor


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

More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND 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<3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND 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<3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND 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 3.20n/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at LXRalpha by TR-FRET assay


J Med Chem 54: 788-808 (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Liver X receptor (LXR alpha AND 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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n/an/an/an/a 4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND 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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n/an/an/an/a 6.30n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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


J Med Chem 53: 3412-6 (2010)

More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50179860
PNG
(CHEMBL206738 | N-cyclopentyl-N-(4-(1,1,1,3,3,3-hex...)
Show SMILES OC(c1ccc(cc1)N(C1CCCC1)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H19F6NO3S/c21-19(22,23)18(28,20(24,25)26)14-10-12-16(13-11-14)27(15-6-4-5-7-15)31(29,30)17-8-2-1-3-9-17/h1-3,8-13,15,28H,4-7H2
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n/an/an/an/a 8n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activity against LXR alpha transiently transfected in HEK293 cells


Bioorg Med Chem Lett 16: 1638-42 (2006)

More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50300569
PNG
((R)-2-(3-(3-((2-chloro-3-(trifluoromethyl)benzyl)(...)
Show SMILES C[C@H](CCOc1cccc(c1)C(C)(C)C(O)=O)N(CC(c1ccccc1)c1ccccc1)Cc1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1S/C36H37ClF3NO3/c1-25(20-21-44-30-18-11-17-29(22-30)35(2,3)34(42)43)41(23-28-16-10-19-32(33(28)37)36(38,39)40)24-31(26-12-6-4-7-13-26)27-14-8-5-9-15-27/h4-19,22,25,31H,20-21,23-24H2,1-3H3,(H,42,43)/t25-/m1/s1
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n/an/an/an/a 9n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human LXRalpha assessed as association of SRC1 to LXRalpha ligand binding domain by FRET based cell-free ligand sensing assay


Bioorg Med Chem Lett 19: 5617-21 (2009)

More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50179858
PNG
(1,1,1,3,3,3-hexafluoro-2-(1-(phenylsulfonyl)-2,3,4...)
Show SMILES OC(c1ccc2N(CCCCc2c1)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H17F6NO3S/c20-18(21,22)17(27,19(23,24)25)14-9-10-16-13(12-14)6-4-5-11-26(16)30(28,29)15-7-2-1-3-8-15/h1-3,7-10,12,27H,4-6,11H2
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n/an/an/an/a 10n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activity against LXR alpha transiently transfected in HEK293 cells


Bioorg Med Chem Lett 16: 1638-42 (2006)

More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND 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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n/an/an/an/a 10n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND 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 10n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activity against LXR alpha transiently transfected in HEK293 cells


Bioorg Med Chem Lett 16: 1638-42 (2006)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Liver X receptor (LXR alpha AND 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 10n/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
Agonist activity at LXRalpha ligand binding domain by FRET based SRC1 recruitment assay


Bioorg Med Chem Lett 19: 2009-12 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Liver X receptor (LXR alpha AND 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 10n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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


J Med Chem 53: 3412-6 (2010)

More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND 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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n/an/an/an/a 10n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND 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 13n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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


J Med Chem 53: 3412-6 (2010)

More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND 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 14n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50034788
PNG
(CHEMBL3360963)
Show SMILES CS(=O)(=O)c1cccc(c1)-c1ccc(s1)-c1cc(nn1Cc1ccc(F)cc1F)C(F)(F)F
Show InChI InChI=1S/C22H15F5N2O2S2/c1-33(30,31)16-4-2-3-13(9-16)19-7-8-20(32-19)18-11-21(22(25,26)27)28-29(18)12-14-5-6-15(23)10-17(14)24/h2-11H,12H2,1H3
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n/an/an/an/a 18n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND 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 19n/an/an/an/a



Vitae Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human LXRalpha


J Med Chem 59: 3264-71 (2016)

More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM27173
PNG
(1H-indol-1-yl tertiary amine, 17 | {[2-chloro-3-(t...)
Show SMILES CS(=O)(=O)n1ccc2c(OCCCN(CC(c3ccccc3)c3ccccc3)Cc3cccc(c3Cl)C(F)(F)F)cccc12
Show InChI InChI=1S/C34H32ClF3N2O3S/c1-44(41,42)40-21-19-28-31(40)17-9-18-32(28)43-22-10-20-39(23-27-15-8-16-30(33(27)35)34(36,37)38)24-29(25-11-4-2-5-12-25)26-13-6-3-7-14-26/h2-9,11-19,21,29H,10,20,22-24H2,1H3
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n/an/an/an/a 20n/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)

More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND 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 20n/an/an/an/a



WuXi AppTec Company, Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at LXRalpha (unknown origin) expressed in human HepG2 cells co-expressing ABCA1 promoter measured after 48 hrs by cell-based transac...


J Med Chem 59: 3489-98 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50034790
PNG
(CHEMBL3360961)
Show SMILES Fc1ccc(Cn2c(cc(c(C#N)c2=O)C(F)(F)F)-c2ccc(Oc3ccccc3)cc2)c(F)c1
Show InChI InChI=1S/C26H15F5N2O2/c27-18-9-6-17(23(28)12-18)15-33-24(13-22(26(29,30)31)21(14-32)25(33)34)16-7-10-20(11-8-16)35-19-4-2-1-3-5-19/h1-13H,15H2
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n/an/an/an/a 20n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50378590
PNG
(CHEMBL611735)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(Cc3ccccc3)nc3c(cccn23)C(F)(F)F)c1
Show InChI InChI=1S/C28H21F3N2O3S/c1-37(34,35)23-13-6-12-22(18-23)36-21-11-5-10-20(17-21)26-25(16-19-8-3-2-4-9-19)32-27-24(28(29,30)31)14-7-15-33(26)27/h2-15,17-18H,16H2,1H3
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n/an/an/an/a 20n/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human Gal4-LBD fused LXRalpha LBD expressed in Huh7 cells by transient transactivation assay


Bioorg Med Chem Lett 20: 521-5 (2010)

More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50179864
PNG
(3-cyano-N-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxyprop...)
Show SMILES CN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1cccc(c1)C#N
Show InChI InChI=1S/C17H12F6N2O3S/c1-25(29(27,28)14-4-2-3-11(9-14)10-24)13-7-5-12(6-8-13)15(26,16(18,19)20)17(21,22)23/h2-9,26H,1H3
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n/an/an/an/a 20n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activity against LXR alpha transiently transfected in HEK293 cells


Bioorg Med Chem Lett 16: 1638-42 (2006)

More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND 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 22n/an/an/an/a



Vitae Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human LXRalpha


J Med Chem 59: 3264-71 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM27164
PNG
(1H-indol-1-yl tertiary amine, 8 | {[2-chloro-3-(tr...)
Show SMILES Cc1cc(OCCCN(CC(c2ccccc2)c2ccccc2)Cc2cccc(c2Cl)C(F)(F)F)[nH]n1
Show InChI InChI=1S/C29H29ClF3N3O/c1-21-18-27(35-34-21)37-17-9-16-36(19-24-14-8-15-26(28(24)30)29(31,32)33)20-25(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-8,10-15,18,25H,9,16-17,19-20H2,1H3,(H,34,35)
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n/an/an/an/a 23n/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)

More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND 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 28n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50179877
PNG
(1,1,1,3,3,3-hexafluoro-2-(1-(phenylsulfonyl)-1,2,3...)
Show SMILES OC(c1ccc2N(CCCc2c1)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H15F6NO3S/c19-17(20,21)16(26,18(22,23)24)13-8-9-15-12(11-13)5-4-10-25(15)29(27,28)14-6-2-1-3-7-14/h1-3,6-9,11,26H,4-5,10H2
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n/an/an/an/a 30n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activity against LXR alpha transiently transfected in HEK293 cells


Bioorg Med Chem Lett 16: 1638-42 (2006)

More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND 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 30n/an/an/an/a



Daiichi Sankyo RD Novare Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human LXRalpha expressed in African green monkey kidney CV1 cells co-expressing pTAL-LXRE including LXR response element incubate...


Bioorg Med Chem Lett 25: 3914-20 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50179872
PNG
(CHEMBL206674 | biphenyl-3-sulfonic acid methyl-[4-...)
Show SMILES CN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C22H17F6NO3S/c1-29(18-12-10-17(11-13-18)20(30,21(23,24)25)22(26,27)28)33(31,32)19-9-5-8-16(14-19)15-6-3-2-4-7-15/h2-14,30H,1H3
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n/an/an/an/a 30n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activity against LXR alpha transiently transfected in HEK293 cells


Bioorg Med Chem Lett 16: 1638-42 (2006)

More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50241886
PNG
((3S,5R,10S,13R,14R,15S,17R)-4,4,10,13,14-pentameth...)
Show SMILES C[C@H](CCC=C(C)C)[C@H]1C[C@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C
Show InChI InChI=1S/C30H48O2/c1-19(2)10-9-11-20(3)23-18-26(32)30(8)22-12-13-24-27(4,5)25(31)15-16-28(24,6)21(22)14-17-29(23,30)7/h10,12,14,20,23-26,31-32H,9,11,13,15-18H2,1-8H3/t20-,23-,24+,25+,26+,28-,29-,30-/m1/s1
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n/an/an/an/a 30n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


J Nat Prod 68: 1247-52 (2005)

More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50305077
PNG
(3-methyl-4-(3-(3-(methylsulfonyl)phenoxy)phenyl)-8...)
Show SMILES Cc1cnc2c(cccc2c1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1)C(F)(F)F
Show InChI InChI=1S/C24H18F3NO3S/c1-15-14-28-23-20(10-5-11-21(23)24(25,26)27)22(15)16-6-3-7-17(12-16)31-18-8-4-9-19(13-18)32(2,29)30/h3-14H,1-2H3
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n/an/an/an/a 31n/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human recombinant LXRalpha LBD


Bioorg Med Chem Lett 20: 521-5 (2010)

More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50378593
PNG
(CHEMBL612007)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(CN3CCSC3)nc3c(cccn23)C(F)(F)F)c1
Show InChI InChI=1S/C25H22F3N3O3S2/c1-36(32,33)20-8-3-7-19(14-20)34-18-6-2-5-17(13-18)23-22(15-30-11-12-35-16-30)29-24-21(25(26,27)28)9-4-10-31(23)24/h2-10,13-14H,11-12,15-16H2,1H3
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n/an/an/an/a 32n/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human Gal4-LBD fused LXRalpha LBD expressed in Huh7 cells by transient transactivation assay


Bioorg Med Chem Lett 20: 521-5 (2010)

More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50126018
PNG
(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)
Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H21ClF3NO4S/c1-2-4-14-17(7-6-15-20(14)31-27-21(15)22(24,25)26)30-9-3-10-32-18-8-5-13(11-16(18)23)12-19(28)29/h5-8,11H,2-4,9-10,12H2,1H3,(H,28,29)
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n/an/an/an/a 35n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50126018
PNG
(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)
Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H21ClF3NO4S/c1-2-4-14-17(7-6-15-20(14)31-27-21(15)22(24,25)26)30-9-3-10-32-18-8-5-13(11-16(18)23)12-19(28)29/h5-8,11H,2-4,9-10,12H2,1H3,(H,28,29)
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n/an/an/an/a 35n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50126018
PNG
(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)
Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H21ClF3NO4S/c1-2-4-14-17(7-6-15-20(14)31-27-21(15)22(24,25)26)30-9-3-10-32-18-8-5-13(11-16(18)23)12-19(28)29/h5-8,11H,2-4,9-10,12H2,1H3,(H,28,29)
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n/an/an/an/a 35n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


J Nat Prod 68: 1247-52 (2005)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM27172
PNG
(1H-indol-1-yl tertiary amine, 16 | {[2-chloro-3-(t...)
Show SMILES Cn1ccc2c(OCCCN(CC(c3ccccc3)c3ccccc3)Cc3cccc(c3Cl)C(F)(F)F)cccc12
Show InChI InChI=1S/C34H32ClF3N2O/c1-39-21-19-28-31(39)17-9-18-32(28)41-22-10-20-40(23-27-15-8-16-30(33(27)35)34(36,37)38)24-29(25-11-4-2-5-12-25)26-13-6-3-7-14-26/h2-9,11-19,21,29H,10,20,22-24H2,1H3
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n/an/an/an/a 39n/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)

More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50179866
PNG
(CHEMBL380851 | N-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES CC(C)CN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1cccs1
Show InChI InChI=1S/C17H17F6NO3S2/c1-11(2)10-24(29(26,27)14-4-3-9-28-14)13-7-5-12(6-8-13)15(25,16(18,19)20)17(21,22)23/h3-9,11,25H,10H2,1-2H3
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n/an/an/an/a 40n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activity against LXR alpha transiently transfected in HEK293 cells


Bioorg Med Chem Lett 16: 1638-42 (2006)

More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND 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 40n/an/a7.522



Tanabe Research Laboratories USA



Assay Description
Polyhistidine-tagged human LXR ligand-binding domain was mixed with the test compound, biotin-SRC1 peptide, streptavidin-allophycocyanin, and europiu...


Bioorg Med Chem Lett 17: 4442-6 (2007)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50172624
PNG
(CHEMBL3809494)
Show SMILES CN(C)C(=O)c1ccc(cc1Cl)-c1cnc(N2CCN(CC2)C(=O)[C@](O)(c2ccccc2)C(F)(F)F)c(c1)C#N
Show InChI InChI=1/C28H25ClF3N5O3/c1-35(2)25(38)22-9-8-18(15-23(22)29)20-14-19(16-33)24(34-17-20)36-10-12-37(13-11-36)26(39)27(40,28(30,31)32)21-6-4-3-5-7-21/h3-9,14-15,17,40H,10-13H2,1-2H3/t27-/s2
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n/an/an/an/a 41n/an/an/an/a



WuXi AppTec Company, Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at GST-tagged LXRalpha-LBD (unknown origin) by LanthaScreen TR-FRET liver X receptor coactivator assay


J Med Chem 59: 3489-98 (2016)

More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50300572
PNG
(2-(3-(3-((2-chloro-3-(trifluoromethyl)benzyl)(2,2-...)
Show SMILES CC(C)(C(O)=O)c1cccc(OCCCN(CC(c2ccccc2)c2ccccc2)Cc2cccc(c2Cl)C(F)(F)F)c1
Show InChI InChI=1S/C35H35ClF3NO3/c1-34(2,33(41)42)28-17-10-18-29(22-28)43-21-11-20-40(23-27-16-9-19-31(32(27)36)35(37,38)39)24-30(25-12-5-3-6-13-25)26-14-7-4-8-15-26/h3-10,12-19,22,30H,11,20-21,23-24H2,1-2H3,(H,41,42)
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n/an/an/an/a 43n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human LXRalpha assessed as association of SRC1 to LXRalpha ligand binding domain by FRET based cell-free ligand sensing assay


Bioorg Med Chem Lett 19: 5617-21 (2009)

More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50172624
PNG
(CHEMBL3809494)
Show SMILES CN(C)C(=O)c1ccc(cc1Cl)-c1cnc(N2CCN(CC2)C(=O)[C@](O)(c2ccccc2)C(F)(F)F)c(c1)C#N
Show InChI InChI=1/C28H25ClF3N5O3/c1-35(2)25(38)22-9-8-18(15-23(22)29)20-14-19(16-33)24(34-17-20)36-10-12-37(13-11-36)26(39)27(40,28(30,31)32)21-6-4-3-5-7-21/h3-9,14-15,17,40H,10-13H2,1-2H3/t27-/s2
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n/an/an/an/a 45n/an/an/an/a



WuXi AppTec Company, Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at LXRalpha (unknown origin) expressed in human HepG2 cells co-expressing ABCA1 promoter measured after 48 hrs by cell-based transac...


J Med Chem 59: 3489-98 (2016)

More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM20173
PNG
(2-{3-[3-({[2-chloro-3-(trifluoromethyl)phenyl]meth...)
Show SMILES NC(=O)Cc1cccc(OCCCN(CC(c2ccccc2)c2ccccc2)Cc2cccc(c2Cl)C(F)(F)F)c1
Show InChI InChI=1S/C33H32ClF3N2O2/c34-32-27(15-8-17-30(32)33(35,36)37)22-39(18-9-19-41-28-16-7-10-24(20-28)21-31(38)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,(H2,38,40)
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n/an/an/an/a 45n/an/a7.522



GlaxoSmithKline



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...


J Med Chem 45: 1963-6 (2002)

More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50300571
PNG
(2-(3-(3-((2-chloro-3-(trifluoromethyl)benzyl)(2,2-...)
Show SMILES CC(C(O)=O)c1cccc(OCCCN(CC(c2ccccc2)c2ccccc2)Cc2cccc(c2Cl)C(F)(F)F)c1
Show InChI InChI=1S/C34H33ClF3NO3/c1-24(33(40)41)27-15-8-17-29(21-27)42-20-10-19-39(22-28-16-9-18-31(32(28)35)34(36,37)38)23-30(25-11-4-2-5-12-25)26-13-6-3-7-14-26/h2-9,11-18,21,24,30H,10,19-20,22-23H2,1H3,(H,40,41)
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n/an/an/an/a 46n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human LXRalpha assessed as association of SRC1 to LXRalpha ligand binding domain by FRET based cell-free ligand sensing assay


Bioorg Med Chem Lett 19: 5617-21 (2009)

More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM20156
PNG
(1-benzyl-3-[(4-methoxyphenyl)amino]-4-phenyl-2,5-d...)
Show SMILES COc1ccc(NC2=C(C(=O)N(Cc3ccccc3)C2=O)c2ccccc2)cc1
Show InChI InChI=1S/C24H20N2O3/c1-29-20-14-12-19(13-15-20)25-22-21(18-10-6-3-7-11-18)23(27)26(24(22)28)16-17-8-4-2-5-9-17/h2-15,25H,16H2,1H3
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n/an/an/an/a 50n/an/a7.522



GlaxoSmithKline



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...


J Med Chem 48: 5419-22 (2005)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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