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Found 1201 hits Enz. Inhib. hit(s) with Target = 'Liver X Receptor alpha (LXR-alpha)'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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 97n/an/a7.237



GNF



Assay Description
FRET-based co-activator recruitment assay measures agonist activities in a 384-well plate format. Reaction mixture containing His-tagged hLXR, biotin...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM20146
PNG
(2-(2,3-dimethoxyphenyl)-5-(4-fluorophenyl)-3-[(2,4...)
Show SMILES COc1cccc(C2SC(=NN2C(=O)c2cc(F)c(F)c(OC)c2F)c2ccc(F)cc2)c1OC
Show InChI InChI=1S/C24H18F4N2O4S/c1-32-17-6-4-5-14(20(17)33-2)24-30(29-22(35-24)12-7-9-13(25)10-8-12)23(31)15-11-16(26)19(28)21(34-3)18(15)27/h4-11,24H,1-3H3
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n/an/an/an/a 700n/an/a7.237



GNF



Assay Description
FRET-based co-activator recruitment assay measures agonist activities in a 384-well plate format. Reaction mixture containing His-tagged hLXR, biotin...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM20132
PNG
((2R)-5-(4-chlorophenyl)-2-(2,3-dimethoxyphenyl)-3-...)
Show SMILES COc1cccc([C@H]2SC(=NN2C(=O)c2c(F)cc(F)cc2F)c2ccc(Cl)cc2)c1OC
Show InChI InChI=1S/C23H16ClF3N2O3S/c1-31-18-5-3-4-15(20(18)32-2)23-29(22(30)19-16(26)10-14(25)11-17(19)27)28-21(33-23)12-6-8-13(24)9-7-12/h3-11,23H,1-2H3/t23-/m1/s1
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n/an/an/an/a 1.60E+3n/an/a7.237



GNF



Assay Description
FRET-based co-activator recruitment assay measures agonist activities in a 384-well plate format. Reaction mixture containing His-tagged hLXR, biotin...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM20133
PNG
(2-(2,3-dimethoxyphenyl)-5-(4-fluorophenyl)-3-[(2,4...)
Show SMILES COc1cccc(C2SC(=NN2C(=O)c2c(F)cc(F)cc2F)c2ccc(F)cc2)c1OC
Show InChI InChI=1S/C23H16F4N2O3S/c1-31-18-5-3-4-15(20(18)32-2)23-29(22(30)19-16(26)10-14(25)11-17(19)27)28-21(33-23)12-6-8-13(24)9-7-12/h3-11,23H,1-2H3
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n/an/an/an/a 1.40E+3n/an/a7.237



GNF



Assay Description
FRET-based co-activator recruitment assay measures agonist activities in a 384-well plate format. Reaction mixture containing His-tagged hLXR, biotin...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM20134
PNG
(2-(2,3-dimethoxyphenyl)-5-(4-methylphenyl)-3-[(2,4...)
Show SMILES COc1cccc(C2SC(=NN2C(=O)c2c(F)cc(F)cc2F)c2ccc(C)cc2)c1OC
Show InChI InChI=1S/C24H19F3N2O3S/c1-13-7-9-14(10-8-13)22-28-29(23(30)20-17(26)11-15(25)12-18(20)27)24(33-22)16-5-4-6-19(31-2)21(16)32-3/h4-12,24H,1-3H3
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n/an/an/an/a 1.40E+3n/an/a7.237



GNF



Assay Description
FRET-based co-activator recruitment assay measures agonist activities in a 384-well plate format. Reaction mixture containing His-tagged hLXR, biotin...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM20135
PNG
(5-(4-chlorophenyl)-2-(2-methoxyphenyl)-3-[(2,4,6-t...)
Show SMILES COc1ccccc1C1SC(=NN1C(=O)c1c(F)cc(F)cc1F)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H14ClF3N2O2S/c1-30-18-5-3-2-4-15(18)22-28(21(29)19-16(25)10-14(24)11-17(19)26)27-20(31-22)12-6-8-13(23)9-7-12/h2-11,22H,1H3
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n/an/an/an/a 180n/an/a7.237



GNF



Assay Description
FRET-based co-activator recruitment assay measures agonist activities in a 384-well plate format. Reaction mixture containing His-tagged hLXR, biotin...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM20136
PNG
(2-(4-fluoro-2-methoxyphenyl)-5-(4-fluorophenyl)-3-...)
Show SMILES COc1cc(F)ccc1C1SC(=NN1C(=O)c1c(F)cc(F)cc1F)c1ccc(F)cc1
Show InChI InChI=1S/C22H13F5N2O2S/c1-31-18-10-13(24)6-7-15(18)22-29(21(30)19-16(26)8-14(25)9-17(19)27)28-20(32-22)11-2-4-12(23)5-3-11/h2-10,22H,1H3
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n/an/an/an/a 70n/an/a7.237



GNF



Assay Description
FRET-based co-activator recruitment assay measures agonist activities in a 384-well plate format. Reaction mixture containing His-tagged hLXR, biotin...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM20137
PNG
(2-[2-(difluoromethoxy)phenyl]-5-(4-fluorophenyl)-3...)
Show SMILES FC(F)Oc1ccccc1C1SC(=NN1C(=O)c1c(F)cc(F)cc1F)c1ccc(F)cc1
Show InChI InChI=1S/C22H12F6N2O2S/c23-12-7-5-11(6-8-12)19-29-30(20(31)18-15(25)9-13(24)10-16(18)26)21(33-19)14-3-1-2-4-17(14)32-22(27)28/h1-10,21-22H
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n/an/an/an/a 1.90E+3n/an/a7.237



GNF



Assay Description
FRET-based co-activator recruitment assay measures agonist activities in a 384-well plate format. Reaction mixture containing His-tagged hLXR, biotin...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM20138
PNG
(5-(4-chlorophenyl)-2-(2,2-difluoro-2H-1,3-benzodio...)
Show SMILES Fc1cc(F)c(C(=O)N2N=C(SC2c2cccc3OC(F)(F)Oc23)c2ccc(Cl)cc2)c(F)c1
Show InChI InChI=1S/C22H10ClF5N2O3S/c23-11-6-4-10(5-7-11)19-29-30(20(31)17-14(25)8-12(24)9-15(17)26)21(34-19)13-2-1-3-16-18(13)33-22(27,28)32-16/h1-9,21H
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n/an/an/an/a 3.90E+3n/an/a7.237



GNF



Assay Description
FRET-based co-activator recruitment assay measures agonist activities in a 384-well plate format. Reaction mixture containing His-tagged hLXR, biotin...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM20139
PNG
(5-(4-fluorophenyl)-2-(2-methoxypyridin-3-yl)-3-[(2...)
Show SMILES COc1ncccc1C1SC(=NN1C(=O)c1c(F)cc(F)cc1F)c1ccc(F)cc1
Show InChI InChI=1S/C21H13F4N3O2S/c1-30-18-14(3-2-8-26-18)21-28(20(29)17-15(24)9-13(23)10-16(17)25)27-19(31-21)11-4-6-12(22)7-5-11/h2-10,21H,1H3
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n/an/an/an/a 400n/an/a7.237



GNF



Assay Description
FRET-based co-activator recruitment assay measures agonist activities in a 384-well plate format. Reaction mixture containing His-tagged hLXR, biotin...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM20140
PNG
(5-(4-chlorophenyl)-3-[(2,4-difluorophenyl)carbonyl...)
Show SMILES COc1cccc(C2SC(=NN2C(=O)c2ccc(F)cc2F)c2ccc(Cl)cc2)c1OC
Show InChI InChI=1S/C23H17ClF2N2O3S/c1-30-19-5-3-4-17(20(19)31-2)23-28(22(29)16-11-10-15(25)12-18(16)26)27-21(32-23)13-6-8-14(24)9-7-13/h3-12,23H,1-2H3
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n/an/an/an/a 6.70E+3n/an/a7.237



GNF



Assay Description
FRET-based co-activator recruitment assay measures agonist activities in a 384-well plate format. Reaction mixture containing His-tagged hLXR, biotin...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM20141
PNG
(5-(3,4-difluorophenyl)-2-(2,3-dimethoxyphenyl)-3-[...)
Show SMILES COc1cccc(C2SC(=NN2C(=O)c2cccc(F)c2)c2ccc(F)c(F)c2)c1OC
Show InChI InChI=1S/C23H17F3N2O3S/c1-30-19-8-4-7-16(20(19)31-2)23-28(22(29)14-5-3-6-15(24)11-14)27-21(32-23)13-9-10-17(25)18(26)12-13/h3-12,23H,1-2H3
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n/an/an/an/a 1.50E+3n/an/a7.237



GNF



Assay Description
FRET-based co-activator recruitment assay measures agonist activities in a 384-well plate format. Reaction mixture containing His-tagged hLXR, biotin...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM20142
PNG
(3-[(3,5-difluorophenyl)carbonyl]-2-(2,3-dimethoxyp...)
Show SMILES COc1cccc(C2SC(=NN2C(=O)c2cc(F)cc(F)c2)c2ccc(F)cc2)c1OC
Show InChI InChI=1S/C23H17F3N2O3S/c1-30-19-5-3-4-18(20(19)31-2)23-28(22(29)14-10-16(25)12-17(26)11-14)27-21(32-23)13-6-8-15(24)9-7-13/h3-12,23H,1-2H3
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n/an/an/an/a 2.10E+3n/an/a7.237



GNF



Assay Description
FRET-based co-activator recruitment assay measures agonist activities in a 384-well plate format. Reaction mixture containing His-tagged hLXR, biotin...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM20143
PNG
(2-(2,3-dimethoxyphenyl)-3-[(5-fluoro-2-methylpheny...)
Show SMILES COc1cccc(C2SC(=NN2C(=O)c2cc(F)ccc2C)c2ccc(F)cc2)c1OC
Show InChI InChI=1S/C24H20F2N2O3S/c1-14-7-10-17(26)13-19(14)23(29)28-24(18-5-4-6-20(30-2)21(18)31-3)32-22(27-28)15-8-11-16(25)12-9-15/h4-13,24H,1-3H3
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n/an/an/an/a 2.40E+3n/an/a7.237



GNF



Assay Description
FRET-based co-activator recruitment assay measures agonist activities in a 384-well plate format. Reaction mixture containing His-tagged hLXR, biotin...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM20144
PNG
(3-[(2,6-difluoro-4-methoxyphenyl)carbonyl]-2-(2,3-...)
Show SMILES COc1cc(F)c(C(=O)N2N=C(SC2c2cccc(OC)c2OC)c2ccc(F)cc2)c(F)c1
Show InChI InChI=1S/C24H19F3N2O4S/c1-31-15-11-17(26)20(18(27)12-15)23(30)29-24(16-5-4-6-19(32-2)21(16)33-3)34-22(28-29)13-7-9-14(25)10-8-13/h4-12,24H,1-3H3
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n/an/an/an/a 900n/an/a7.237



GNF



Assay Description
FRET-based co-activator recruitment assay measures agonist activities in a 384-well plate format. Reaction mixture containing His-tagged hLXR, biotin...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM20145
PNG
(3-[(4-bromo-2,6-difluorophenyl)carbonyl]-2-(2,3-di...)
Show SMILES COc1cccc(C2SC(=NN2C(=O)c2c(F)cc(Br)cc2F)c2ccc(F)cc2)c1OC
Show InChI InChI=1S/C23H16BrF3N2O3S/c1-31-18-5-3-4-15(20(18)32-2)23-29(22(30)19-16(26)10-13(24)11-17(19)27)28-21(33-23)12-6-8-14(25)9-7-12/h3-11,23H,1-2H3
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n/an/an/an/a 900n/an/a7.237



GNF



Assay Description
FRET-based co-activator recruitment assay measures agonist activities in a 384-well plate format. Reaction mixture containing His-tagged hLXR, biotin...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM20131
PNG
(5-(4-chlorophenyl)-2-(2,3-dimethoxyphenyl)-3-[(2,4...)
Show SMILES COc1cccc(C2SC(=NN2C(=O)c2c(F)cc(F)cc2F)c2ccc(Cl)cc2)c1OC
Show InChI InChI=1S/C23H16ClF3N2O3S/c1-31-18-5-3-4-15(20(18)32-2)23-29(22(30)19-16(26)10-14(25)11-17(19)27)28-21(33-23)12-6-8-13(24)9-7-12/h3-11,23H,1-2H3
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n/an/an/an/a 2.30E+3n/an/a7.237



GNF



Assay Description
FRET-based co-activator recruitment assay measures agonist activities in a 384-well plate format. Reaction mixture containing His-tagged hLXR, biotin...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM28143
PNG
(methyl (2S)-2-[(2R)-7-chloro-1H,2H,3H,4H-cyclopent...)
Show SMILES COC(=O)[C@](F)([C@H]1Cc2[nH]c3ccc(Cl)cc3c2C1)S(=O)(=O)c1cccnc1
Show InChI InChI=1S/C19H16ClFN2O4S/c1-27-18(24)19(21,28(25,26)13-3-2-6-22-10-13)11-7-14-15-9-12(20)4-5-16(15)23-17(14)8-11/h2-6,9-11,23H,7-8H2,1H3/t11-,19+/m1/s1
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n/an/a 2.00E+4n/a 1.07E+3n/an/a7.422



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM28144
PNG
(methyl (2S)-2-[(2R)-7-chloro-1H,2H,3H,4H-cyclopent...)
Show SMILES COC(=O)[C@](F)([C@H]1Cc2[nH]c3ccc(Cl)cc3c2C1)S(=O)(=O)c1ccccn1
Show InChI InChI=1S/C19H16ClFN2O4S/c1-27-18(24)19(21,28(25,26)17-4-2-3-7-22-17)11-8-13-14-10-12(20)5-6-15(14)23-16(13)9-11/h2-7,10-11,23H,8-9H2,1H3/t11-,19+/m1/s1
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n/an/a 1.22E+4n/a 2.75E+3n/an/a7.422



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM28145
PNG
(methyl (2S)-2-(benzenesulfonyl)-2-[(4R)-11-chloro-...)
Show SMILES COC(=O)[C@](F)([C@H]1Cc2[nH]c3ccc(Cl)nc3c2C1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H16ClFN2O4S/c1-27-18(24)19(21,28(25,26)12-5-3-2-4-6-12)11-9-13-15(10-11)22-14-7-8-16(20)23-17(13)14/h2-8,11,22H,9-10H2,1H3/t11-,19+/m1/s1
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n/an/a 2.58E+3n/a 4.23E+3n/an/a7.422



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM28147
PNG
((2S)-2-(benzenesulfonyl)-2-[(2R)-7-chloro-1H,2H,3H...)
Show SMILES CN(C)C(=O)[C@](F)([C@H]1Cc2[nH]c3ccc(Cl)cc3c2C1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C21H20ClFN2O3S/c1-25(2)20(26)21(23,29(27,28)15-6-4-3-5-7-15)13-10-16-17-12-14(22)8-9-18(17)24-19(16)11-13/h3-9,12-13,24H,10-11H2,1-2H3/t13-,21+/m1/s1
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n/an/a 1.79E+3n/a 1.09E+3n/an/a7.422



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM28148
PNG
(2-[(S)-(benzenesulfonyl)[(2R)-7-chloro-1H,2H,3H,4H...)
Show SMILES F[C@]([C@H]1Cc2[nH]c3ccc(Cl)cc3c2C1)(c1nnco1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H15ClFN3O3S/c21-13-6-7-17-16(10-13)15-8-12(9-18(15)24-17)20(22,19-25-23-11-28-19)29(26,27)14-4-2-1-3-5-14/h1-7,10-12,24H,8-9H2/t12-,20+/m1/s1
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n/an/a 2.30E+3n/a 770n/an/a7.422



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM28149
PNG
(2-[(S)-(benzenesulfonyl)[(2R)-7-chloro-1H,2H,3H,4H...)
Show SMILES Cc1nnc(o1)[C@](F)([C@H]1Cc2[nH]c3ccc(Cl)cc3c2C1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C21H17ClFN3O3S/c1-12-25-26-20(29-12)21(23,30(27,28)15-5-3-2-4-6-15)13-9-16-17-11-14(22)7-8-18(17)24-19(16)10-13/h2-8,11,13,24H,9-10H2,1H3/t13-,21+/m1/s1
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n/an/a 920n/a 1.50E+3n/an/a7.422



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM28150
PNG
(2-[(S)-(benzenesulfonyl)[(2R)-7-chloro-1H,2H,3H,4H...)
Show SMILES F[C@]([C@H]1Cc2[nH]c3ccc(Cl)cc3c2C1)(c1nnc(o1)C1CC1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C23H19ClFN3O3S/c24-15-8-9-19-18(12-15)17-10-14(11-20(17)26-19)23(25,22-28-27-21(31-22)13-6-7-13)32(29,30)16-4-2-1-3-5-16/h1-5,8-9,12-14,26H,6-7,10-11H2/t14-,23+/m1/s1
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n/an/a 290n/a 430n/an/a7.422



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM28151
PNG
(5-[(S)-(benzenesulfonyl)[(2R)-7-chloro-1H,2H,3H,4H...)
Show SMILES CN(C)c1nnc(o1)[C@](F)([C@H]1Cc2[nH]c3ccc(Cl)cc3c2C1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C22H20ClFN4O3S/c1-28(2)21-27-26-20(31-21)22(24,32(29,30)15-6-4-3-5-7-15)13-10-16-17-12-14(23)8-9-18(17)25-19(16)11-13/h3-9,12-13,25H,10-11H2,1-2H3/t13-,22+/m1/s1
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n/an/a 300n/a 890n/an/a7.422



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM28152
PNG
(5-[(S)-(benzenesulfonyl)[(2R)-7-chloro-1H,2H,3H,4H...)
Show SMILES Cc1noc(n1)[C@](F)([C@H]1Cc2[nH]c3ccc(Cl)cc3c2C1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C21H17ClFN3O3S/c1-12-24-20(29-26-12)21(23,30(27,28)15-5-3-2-4-6-15)13-9-16-17-11-14(22)7-8-18(17)25-19(16)10-13/h2-8,11,13,25H,9-10H2,1H3/t13-,21+/m1/s1
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n/an/a 210n/a 1.09E+3n/an/a7.422



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM28153
PNG
(methyl 5-[(S)-(benzenesulfonyl)[(2R)-7-chloro-1H,2...)
Show SMILES COC(=O)c1noc(n1)[C@](F)([C@H]1Cc2[nH]c3ccc(Cl)cc3c2C1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C22H17ClFN3O5S/c1-31-20(28)19-26-21(32-27-19)22(24,33(29,30)14-5-3-2-4-6-14)12-9-15-16-11-13(23)7-8-17(16)25-18(15)10-12/h2-8,11-12,25H,9-10H2,1H3/t12-,22+/m1/s1
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n/an/a 1.63E+3n/a 1.26E+3n/an/a7.422



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM28154
PNG
(5-[(S)-(benzenesulfonyl)[(2R)-7-chloro-1H,2H,3H,4H...)
Show SMILES CN(C)c1noc(n1)[C@](F)([C@H]1Cc2[nH]c3ccc(Cl)cc3c2C1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C22H20ClFN4O3S/c1-28(2)21-26-20(31-27-21)22(24,32(29,30)15-6-4-3-5-7-15)13-10-16-17-12-14(23)8-9-18(17)25-19(16)11-13/h3-9,12-13,25H,10-11H2,1-2H3/t13-,22+/m1/s1
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n/an/a 29n/a 370n/an/a7.422



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM28155
PNG
(5-[(S)-(benzenesulfonyl)[(2R)-7-chloro-1H,2H,3H,4H...)
Show SMILES F[C@]([C@H]1Cc2[nH]c3ccc(Cl)cc3c2C1)(c1nc(no1)C#N)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C21H14ClFN4O3S/c22-13-6-7-17-16(10-13)15-8-12(9-18(15)25-17)21(23,20-26-19(11-24)27-30-20)31(28,29)14-4-2-1-3-5-14/h1-7,10,12,25H,8-9H2/t12-,21+/m1/s1
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n/an/a 100n/a 160n/an/a7.422



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM28146
PNG
((2S)-2-(benzenesulfonyl)-2-[(2R)-7-chloro-1H,2H,3H...)
Show SMILES CNC(=O)[C@](F)([C@H]1Cc2[nH]c3ccc(Cl)cc3c2C1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H18ClFN2O3S/c1-23-19(25)20(22,28(26,27)14-5-3-2-4-6-14)12-9-15-16-11-13(21)7-8-17(16)24-18(15)10-12/h2-8,11-12,24H,9-10H2,1H3,(H,23,25)/t12-,20+/m1/s1
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n/an/a 2.70E+3n/a 1.55E+3n/an/a7.422



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM28131
PNG
(methyl (2S)-2-(benzenesulfonyl)-2-[(2R)-7-chloro-1...)
Show SMILES COC(=O)[C@](C)([C@H]1Cc2[nH]c3ccc(Cl)cc3c2C1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C21H20ClNO4S/c1-21(20(24)27-2,28(25,26)15-6-4-3-5-7-15)13-10-16-17-12-14(22)8-9-18(17)23-19(16)11-13/h3-9,12-13,23H,10-11H2,1-2H3/t13-,21+/m1/s1
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n/an/a 1.10E+3n/a 1.60E+3n/an/a7.422



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM28132
PNG
(methyl (2S)-2-[(2R)-6-chloro-2,3,4,9-tetrahydro-1H...)
Show SMILES COC(=O)[C@](C)([C@@H]1CCc2c(C1)[nH]c1ccc(Cl)cc21)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C22H21ClFNO4S/c1-22(21(26)29-2,30(27,28)16-7-5-15(24)6-8-16)13-3-9-17-18-12-14(23)4-10-19(18)25-20(17)11-13/h4-8,10,12-13,25H,3,9,11H2,1-2H3/t13-,22+/m1/s1
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n/an/a 3.30E+3n/a 5.81E+3n/an/a7.422



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM28133
PNG
(methyl (2S)-2-[(2R)-6-chloro-2,3,4,9-tetrahydro-1H...)
Show SMILES COC(=O)[C@](C)([C@@H]1CCc2c(C1)[nH]c1ccc(Cl)cc21)S(=O)(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H20Cl3NO4S/c1-22(21(27)30-2,31(28,29)14-5-7-17(24)18(25)11-14)12-3-6-15-16-10-13(23)4-8-19(16)26-20(15)9-12/h4-5,7-8,10-12,26H,3,6,9H2,1-2H3/t12-,22+/m1/s1
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n/an/a 8.79E+4n/a 5.80E+3n/an/a7.422



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM28134
PNG
(methyl (2S)-2-[(2R)-6-chloro-2,3,4,9-tetrahydro-1H...)
Show SMILES COC(=O)[C@](C)([C@@H]1CCc2c(C1)[nH]c1ccc(Cl)cc21)S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C22H21Cl2NO4S/c1-22(21(26)29-2,30(27,28)16-5-3-4-14(23)11-16)13-6-8-17-18-12-15(24)7-9-19(18)25-20(17)10-13/h3-5,7,9,11-13,25H,6,8,10H2,1-2H3/t13-,22+/m1/s1
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n/an/a 820n/a 2.18E+3n/an/a7.422



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM28135
PNG
(methyl (2S)-2-[(2R)-6-chloro-2,3,4,9-tetrahydro-1H...)
Show SMILES COC(=O)[C@](C)([C@@H]1CCc2c(C1)[nH]c1ccc(Cl)cc21)S(=O)(=O)c1ccccc1Cl
Show InChI InChI=1S/C22H21Cl2NO4S/c1-22(21(26)29-2,30(27,28)20-6-4-3-5-17(20)24)13-7-9-15-16-12-14(23)8-10-18(16)25-19(15)11-13/h3-6,8,10,12-13,25H,7,9,11H2,1-2H3/t13-,22+/m1/s1
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n/an/a 540n/a 2.08E+3n/an/a7.422



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM28136
PNG
(methyl (2S)-2-[(2R)-6-chloro-2,3,4,9-tetrahydro-1H...)
Show SMILES COC(=O)[C@](C)([C@@H]1CCc2c(C1)[nH]c1ccc(Cl)cc21)S(=O)(=O)c1ccccc1OC
Show InChI InChI=1S/C23H24ClNO5S/c1-23(22(26)30-3,31(27,28)21-7-5-4-6-20(21)29-2)14-8-10-16-17-13-15(24)9-11-18(17)25-19(16)12-14/h4-7,9,11,13-14,25H,8,10,12H2,1-3H3/t14-,23+/m1/s1
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n/an/a 2.25E+3n/a 2.30E+3n/an/a7.422



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM28137
PNG
(methyl (2S)-2-[(2R)-6-chloro-2,3,4,9-tetrahydro-1H...)
Show SMILES COC(=O)[C@](F)([C@@H]1CCc2c(C1)[nH]c1ccc(Cl)cc21)S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C21H18Cl2FNO4S/c1-29-20(26)21(24,30(27,28)15-4-2-3-13(22)10-15)12-5-7-16-17-11-14(23)6-8-18(17)25-19(16)9-12/h2-4,6,8,10-12,25H,5,7,9H2,1H3/t12-,21+/m1/s1
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n/an/a 100n/a 2.17E+3n/an/a7.422



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM28138
PNG
(methyl (2S)-2-[(2R)-6-chloro-2,3,4,9-tetrahydro-1H...)
Show SMILES COC(=O)[C@](F)([C@@H]1CCc2c(C1)[nH]c1ccc(Cl)cc21)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C21H18ClF2NO4S/c1-29-20(26)21(24,30(27,28)15-4-2-3-14(23)11-15)12-5-7-16-17-10-13(22)6-8-18(17)25-19(16)9-12/h2-4,6,8,10-12,25H,5,7,9H2,1H3/t12-,21+/m1/s1
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n/an/a 73n/a 1.39E+3n/an/a7.422



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM28139
PNG
(methyl (2S)-2-[(2R)-7-chloro-1H,2H,3H,4H-cyclopent...)
Show SMILES COC(=O)[C@](F)([C@H]1Cc2[nH]c3ccc(Cl)cc3c2C1)S(=O)(=O)c1cccc(OC)c1
Show InChI InChI=1S/C21H19ClFNO5S/c1-28-14-4-3-5-15(11-14)30(26,27)21(23,20(25)29-2)12-8-16-17-10-13(22)6-7-18(17)24-19(16)9-12/h3-7,10-12,24H,8-9H2,1-2H3/t12-,21+/m1/s1
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n/an/a 62n/a 1.07E+3n/an/a7.422



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM28140
PNG
(methyl (2S)-2-[(2R)-7-chloro-1H,2H,3H,4H-cyclopent...)
Show SMILES COC(=O)[C@](F)([C@H]1Cc2[nH]c3ccc(Cl)cc3c2C1)S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C20H16Cl2FNO4S/c1-28-19(25)20(23,29(26,27)14-4-2-3-12(21)9-14)11-7-15-16-10-13(22)5-6-17(16)24-18(15)8-11/h2-6,9-11,24H,7-8H2,1H3/t11-,20+/m1/s1
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n/an/a 1.21E+3n/a 840n/an/a7.422



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM28141
PNG
(methyl (2S)-2-[(2R)-7-chloro-1H,2H,3H,4H-cyclopent...)
Show SMILES COC(=O)[C@](F)([C@H]1Cc2[nH]c3ccc(Cl)cc3c2C1)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C20H16ClF2NO4S/c1-28-19(25)20(23,29(26,27)14-4-2-3-13(22)10-14)11-7-15-16-9-12(21)5-6-17(16)24-18(15)8-11/h2-6,9-11,24H,7-8H2,1H3/t11-,20+/m1/s1
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n/an/a 49n/a 1.35E+3n/an/a7.422



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM28142
PNG
(methyl (2S)-2-[(3-bromobenzene)sulfonyl]-2-[(2R)-7...)
Show SMILES COC(=O)[C@](F)([C@H]1Cc2[nH]c3ccc(Cl)cc3c2C1)S(=O)(=O)c1cccc(Br)c1
Show InChI InChI=1S/C20H16BrClFNO4S/c1-28-19(25)20(23,29(26,27)14-4-2-3-12(21)9-14)11-7-15-16-10-13(22)5-6-17(16)24-18(15)8-11/h2-6,9-11,24H,7-8H2,1H3/t11-,20+/m1/s1
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n/an/a 100n/a 850n/an/a7.422



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Liver X Receptor alpha (LXR-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/a 100n/an/an/an/a7.44



Wyeth Research



Assay Description
Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...


J Med Chem 49: 6151-4 (2006)


Article DOI: 10.1021/jm0609566
BindingDB Entry DOI: 10.7270/Q20863KH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Liver X Receptor alpha (LXR-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/a 10n/an/an/an/a7.44



Wyeth Research



Assay Description
Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...


J Med Chem 49: 6151-4 (2006)


Article DOI: 10.1021/jm0609566
BindingDB Entry DOI: 10.7270/Q20863KH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Liver X Receptor alpha (LXR-alpha)


(Homo sapiens (human))
BDBM19994
PNG
(3-benzoyl-4-phenyl-8-(trifluoromethyl)quinoline | ...)
Show SMILES FC(F)(F)c1cccc2c(-c3ccccc3)c(cnc12)C(=O)c1ccccc1
Show InChI InChI=1S/C23H14F3NO/c24-23(25,26)19-13-7-12-17-20(15-8-3-1-4-9-15)18(14-27-21(17)19)22(28)16-10-5-2-6-11-16/h1-14H
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n/an/a 260n/an/an/an/a7.44



Wyeth Research



Assay Description
Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...


J Med Chem 49: 6151-4 (2006)


Article DOI: 10.1021/jm0609566
BindingDB Entry DOI: 10.7270/Q20863KH
More data for this
Ligand-Target Pair
Liver X Receptor alpha (LXR-alpha)


(Homo sapiens (human))
BDBM19995
PNG
(4-{3-[3-benzoyl-8-(trifluoromethyl)quinolin-4-yl]p...)
Show SMILES OC(=O)c1ccc(COc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C31H20F3NO4/c32-31(33,34)26-11-5-10-24-27(25(17-35-28(24)26)29(36)20-6-2-1-3-7-20)22-8-4-9-23(16-22)39-18-19-12-14-21(15-13-19)30(37)38/h1-17H,18H2,(H,37,38)
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n/an/a 130n/an/an/an/a7.44



Wyeth Research



Assay Description
Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...


J Med Chem 49: 6151-4 (2006)


Article DOI: 10.1021/jm0609566
BindingDB Entry DOI: 10.7270/Q20863KH
More data for this
Ligand-Target Pair
Liver X Receptor alpha (LXR-alpha)


(Homo sapiens (human))
BDBM19996
PNG
(Quinoline 11 | methyl 4-{3-[3-benzoyl-8-(trifluoro...)
Show SMILES COC(=O)c1ccc(COc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C32H22F3NO4/c1-39-31(38)22-15-13-20(14-16-22)19-40-24-10-5-9-23(17-24)28-25-11-6-12-27(32(33,34)35)29(25)36-18-26(28)30(37)21-7-3-2-4-8-21/h2-18H,19H2,1H3
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n/an/a>1.00E+3n/an/an/an/a7.44



Wyeth Research



Assay Description
Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...


J Med Chem 49: 6151-4 (2006)


Article DOI: 10.1021/jm0609566
BindingDB Entry DOI: 10.7270/Q20863KH
More data for this
Ligand-Target Pair
Liver X Receptor alpha (LXR-alpha)


(Homo sapiens (human))
BDBM19997
PNG
(3-{3-[3-benzoyl-8-(trifluoromethyl)quinolin-4-yl]p...)
Show SMILES OC(=O)c1cccc(COc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(=O)c2ccccc2)c1
Show InChI InChI=1S/C31H20F3NO4/c32-31(33,34)26-14-6-13-24-27(25(17-35-28(24)26)29(36)20-8-2-1-3-9-20)21-10-5-12-23(16-21)39-18-19-7-4-11-22(15-19)30(37)38/h1-17H,18H2,(H,37,38)
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n/an/a 1.87E+3n/an/an/an/a7.44



Wyeth Research



Assay Description
Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...


J Med Chem 49: 6151-4 (2006)


Article DOI: 10.1021/jm0609566
BindingDB Entry DOI: 10.7270/Q20863KH
More data for this
Ligand-Target Pair
Liver X Receptor alpha (LXR-alpha)


(Homo sapiens (human))
BDBM19998
PNG
(4-{4-[3-benzoyl-8-(trifluoromethyl)quinolin-4-yl]p...)
Show SMILES OC(=O)c1ccc(COc2ccc(cc2)-c2c(cnc3c(cccc23)C(F)(F)F)C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C31H20F3NO4/c32-31(33,34)26-8-4-7-24-27(25(17-35-28(24)26)29(36)21-5-2-1-3-6-21)20-13-15-23(16-14-20)39-18-19-9-11-22(12-10-19)30(37)38/h1-17H,18H2,(H,37,38)
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n/an/a 723n/an/an/an/a7.44



Wyeth Research



Assay Description
Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...


J Med Chem 49: 6151-4 (2006)


Article DOI: 10.1021/jm0609566
BindingDB Entry DOI: 10.7270/Q20863KH
More data for this
Ligand-Target Pair
Liver X Receptor alpha (LXR-alpha)


(Homo sapiens (human))
BDBM19999
PNG
(2-(4-{3-[3-benzoyl-8-(trifluoromethyl)quinolin-4-y...)
Show SMILES OC(=O)Cc1ccc(COc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C32H22F3NO4/c33-32(34,35)27-11-5-10-25-29(26(18-36-30(25)27)31(39)22-6-2-1-3-7-22)23-8-4-9-24(17-23)40-19-21-14-12-20(13-15-21)16-28(37)38/h1-15,17-18H,16,19H2,(H,37,38)
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n/an/a 16.5n/an/an/an/a7.44



Wyeth Research



Assay Description
Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...


J Med Chem 49: 6151-4 (2006)


Article DOI: 10.1021/jm0609566
BindingDB Entry DOI: 10.7270/Q20863KH
More data for this
Ligand-Target Pair
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