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Compile Data Set for Download or QSAR

Found 62 hits Enz. Inhib. hit(s) with all data for entry = 50031052   
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))
BDBM50306072
PNG
(2-isobutyl-1-(3-(3-(methylsulfonyl)phenoxy)phenyl)...)
Show SMILES CC(C)Cc1nc2c(cccc2n1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1)C(F)(F)F
Show InChI InChI=1S/C25H23F3N2O3S/c1-16(2)13-23-29-24-21(25(26,27)28)11-6-12-22(24)30(23)17-7-4-8-18(14-17)33-19-9-5-10-20(15-19)34(3,31)32/h4-12,14-16H,13H2,1-3H3
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n/an/a 0.800n/an/an/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: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
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/a 1n/an/an/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: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306070
PNG
(2-isopropyl-1-(3-(3-(methylsulfonyl)phenoxy)phenyl...)
Show SMILES CC(C)c1nc2c(cccc2n1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1)C(F)(F)F
Show InChI InChI=1S/C24H21F3N2O3S/c1-15(2)23-28-22-20(24(25,26)27)11-6-12-21(22)29(23)16-7-4-8-17(13-16)32-18-9-5-10-19(14-18)33(3,30)31/h4-15H,1-3H3
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n/an/a 1n/an/an/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: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306073
PNG
(1-(3-(3-(methylsulfonyl)phenoxy)phenyl)-2-phenyl-4...)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-n2c(nc3c(cccc23)C(F)(F)F)-c2ccccc2)c1
Show InChI InChI=1S/C27H19F3N2O3S/c1-36(33,34)22-13-6-12-21(17-22)35-20-11-5-10-19(16-20)32-24-15-7-14-23(27(28,29)30)25(24)31-26(32)18-8-3-2-4-9-18/h2-17H,1H3
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n/an/a 1.10n/an/an/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: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306074
PNG
(2-(4-fluorobenzyl)-1-(3-(3-(methylsulfonyl)phenoxy...)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-n2c(Cc3ccc(F)cc3)nc3c(cccc23)C(F)(F)F)c1
Show InChI InChI=1S/C28H20F4N2O3S/c1-38(35,36)23-8-3-7-22(17-23)37-21-6-2-5-20(16-21)34-25-10-4-9-24(28(30,31)32)27(25)33-26(34)15-18-11-13-19(29)14-12-18/h2-14,16-17H,15H2,1H3
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n/an/a 1.20n/an/an/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: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306068
PNG
(1-(3-(3-(methylsulfonyl)phenoxy)phenyl)-2,4-bis(tr...)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-n2c(nc3c(cccc23)C(F)(F)F)C(F)(F)F)c1
Show InChI InChI=1S/C22H14F6N2O3S/c1-34(31,32)16-8-3-7-15(12-16)33-14-6-2-5-13(11-14)30-18-10-4-9-17(21(23,24)25)19(18)29-20(30)22(26,27)28/h2-12H,1H3
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n/an/a 1.30n/an/an/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: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306075
PNG
(4-chloro-2-isopropyl-1-(3-(3-(methylsulfonyl)pheno...)
Show SMILES CC(C)c1nc2c(Cl)cccc2n1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1
Show InChI InChI=1S/C23H21ClN2O3S/c1-15(2)23-25-22-20(24)11-6-12-21(22)26(23)16-7-4-8-17(13-16)29-18-9-5-10-19(14-18)30(3,27)28/h4-15H,1-3H3
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n/an/a 1.5n/an/an/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: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306069
PNG
(2-ethyl-1-(3-(3-(methylsulfonyl)phenoxy)phenyl)-4-...)
Show SMILES CCc1nc2c(cccc2n1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1)C(F)(F)F
Show InChI InChI=1S/C23H19F3N2O3S/c1-3-21-27-22-19(23(24,25)26)11-6-12-20(22)28(21)15-7-4-8-16(13-15)31-17-9-5-10-18(14-17)32(2,29)30/h4-14H,3H2,1-2H3
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n/an/a 1.70n/an/an/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: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
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/a 2.40n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306077
PNG
(1-(2-chloro-5-(3-(ethylsulfonyl)phenoxy)phenyl)-4-...)
Show SMILES CCS(=O)(=O)c1cccc(Oc2ccc(Cl)c(c2)-n2cnc3c(cccc23)C(F)(F)F)c1
Show InChI InChI=1S/C22H16ClF3N2O3S/c1-2-32(29,30)16-6-3-5-14(11-16)31-15-9-10-18(23)20(12-15)28-13-27-21-17(22(24,25)26)7-4-8-19(21)28/h3-13H,2H2,1H3
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n/an/a 2.40n/an/an/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: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306074
PNG
(2-(4-fluorobenzyl)-1-(3-(3-(methylsulfonyl)phenoxy...)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-n2c(Cc3ccc(F)cc3)nc3c(cccc23)C(F)(F)F)c1
Show InChI InChI=1S/C28H20F4N2O3S/c1-38(35,36)23-8-3-7-22(17-23)37-21-6-2-5-20(16-21)34-25-10-4-9-24(28(30,31)32)27(25)33-26(34)15-18-11-13-19(29)14-12-18/h2-14,16-17H,15H2,1H3
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n/an/a 2.60n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306076
PNG
(1-(2-chloro-5-(3-(methylsulfonyl)phenoxy)phenyl)-4...)
Show SMILES CS(=O)(=O)c1cccc(Oc2ccc(Cl)c(c2)-n2cnc3c(cccc23)C(F)(F)F)c1
Show InChI InChI=1S/C21H14ClF3N2O3S/c1-31(28,29)15-5-2-4-13(10-15)30-14-8-9-17(22)19(11-14)27-12-26-20-16(21(23,24)25)6-3-7-18(20)27/h2-12H,1H3
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n/an/a 2.70n/an/an/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: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306072
PNG
(2-isobutyl-1-(3-(3-(methylsulfonyl)phenoxy)phenyl)...)
Show SMILES CC(C)Cc1nc2c(cccc2n1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1)C(F)(F)F
Show InChI InChI=1S/C25H23F3N2O3S/c1-16(2)13-23-29-24-21(25(26,27)28)11-6-12-22(24)30(23)17-7-4-8-18(14-17)33-19-9-5-10-20(15-19)34(3,31)32/h4-12,14-16H,13H2,1-3H3
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n/an/a 3.20n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306080
PNG
(4-chloro-1-(2-chloro-5-(3-(ethylsulfonyl)phenoxy)p...)
Show SMILES CCS(=O)(=O)c1cccc(Oc2ccc(Cl)c(c2)-n2c(C)nc3c(Cl)cccc23)c1
Show InChI InChI=1S/C22H18Cl2N2O3S/c1-3-30(27,28)17-7-4-6-15(12-17)29-16-10-11-18(23)21(13-16)26-14(2)25-22-19(24)8-5-9-20(22)26/h4-13H,3H2,1-2H3
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n/an/a 3.5n/an/an/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: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306081
PNG
(4-chloro-1-(2-chloro-5-(3-(isopropylsulfonyl)pheno...)
Show SMILES CC(C)S(=O)(=O)c1cccc(Oc2ccc(Cl)c(c2)-n2c(C)nc3c(Cl)cccc23)c1
Show InChI InChI=1S/C23H20Cl2N2O3S/c1-14(2)31(28,29)18-7-4-6-16(12-18)30-17-10-11-19(24)22(13-17)27-15(3)26-23-20(25)8-5-9-21(23)27/h4-14H,1-3H3
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n/an/a 3.60n/an/an/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: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306079
PNG
(4-chloro-1-(2-chloro-5-(3-(methylsulfonyl)phenoxy)...)
Show SMILES Cc1nc2c(Cl)cccc2n1-c1cc(Oc2cccc(c2)S(C)(=O)=O)ccc1Cl
Show InChI InChI=1S/C21H16Cl2N2O3S/c1-13-24-21-18(23)7-4-8-19(21)25(13)20-12-15(9-10-17(20)22)28-14-5-3-6-16(11-14)29(2,26)27/h3-12H,1-2H3
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n/an/a 3.70n/an/an/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: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306078
PNG
(1-(2-chloro-5-(3-(isopropylsulfonyl)phenoxy)phenyl...)
Show SMILES CC(C)S(=O)(=O)c1cccc(Oc2ccc(Cl)c(c2)-n2cnc3c(cccc23)C(F)(F)F)c1
Show InChI InChI=1S/C23H18ClF3N2O3S/c1-14(2)33(30,31)17-6-3-5-15(11-17)32-16-9-10-19(24)21(12-16)29-13-28-22-18(23(25,26)27)7-4-8-20(22)29/h3-14H,1-2H3
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n/an/a 4n/an/an/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: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306071
PNG
(2-cyclopropyl-1-(3-(3-(methylsulfonyl)phenoxy)phen...)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-n2c(nc3c(cccc23)C(F)(F)F)C2CC2)c1
Show InChI InChI=1S/C24H19F3N2O3S/c1-33(30,31)19-8-3-7-18(14-19)32-17-6-2-5-16(13-17)29-21-10-4-9-20(24(25,26)27)22(21)28-23(29)15-11-12-15/h2-10,13-15H,11-12H2,1H3
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n/an/a 4.20n/an/an/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: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306082
PNG
(4-chloro-1-(2-chloro-5-(3-fluoro-5-(methylsulfonyl...)
Show SMILES Cc1nc2c(Cl)cccc2n1-c1cc(Oc2cc(F)cc(c2)S(C)(=O)=O)ccc1Cl
Show InChI InChI=1S/C21H15Cl2FN2O3S/c1-12-25-21-18(23)4-3-5-19(21)26(12)20-11-14(6-7-17(20)22)29-15-8-13(24)9-16(10-15)30(2,27)28/h3-11H,1-2H3
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n/an/a 4.70n/an/an/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: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306073
PNG
(1-(3-(3-(methylsulfonyl)phenoxy)phenyl)-2-phenyl-4...)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-n2c(nc3c(cccc23)C(F)(F)F)-c2ccccc2)c1
Show InChI InChI=1S/C27H19F3N2O3S/c1-36(33,34)22-13-6-12-21(17-22)35-20-11-5-10-19(16-20)32-24-15-7-14-23(27(28,29)30)25(24)31-26(32)18-8-3-2-4-9-18/h2-17H,1H3
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n/an/a 4.70n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306068
PNG
(1-(3-(3-(methylsulfonyl)phenoxy)phenyl)-2,4-bis(tr...)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-n2c(nc3c(cccc23)C(F)(F)F)C(F)(F)F)c1
Show InChI InChI=1S/C22H14F6N2O3S/c1-34(31,32)16-8-3-7-15(12-16)33-14-6-2-5-13(11-14)30-18-10-4-9-17(21(23,24)25)19(18)29-20(30)22(26,27)28/h2-12H,1H3
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n/an/a 5.10n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306059
PNG
(4-chloro-1-(3-(3-(ethylsulfonyl)phenoxy)phenyl)-2-...)
Show SMILES CCS(=O)(=O)c1cccc(Oc2cccc(c2)-n2c(C)nc3c(Cl)cccc23)c1
Show InChI InChI=1S/C22H19ClN2O3S/c1-3-29(26,27)19-10-5-9-18(14-19)28-17-8-4-7-16(13-17)25-15(2)24-22-20(23)11-6-12-21(22)25/h4-14H,3H2,1-2H3
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Wyeth Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306060
PNG
(1-(3-(3-(isopropylsulfonyl)phenoxy)phenyl)-2-methy...)
Show SMILES CC(C)S(=O)(=O)c1cccc(Oc2cccc(c2)-n2c(C)nc3c(cccc23)C(F)(F)F)c1
Show InChI InChI=1S/C24H21F3N2O3S/c1-15(2)33(30,31)20-10-5-9-19(14-20)32-18-8-4-7-17(13-18)29-16(3)28-23-21(24(25,26)27)11-6-12-22(23)29/h4-15H,1-3H3
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n/an/a 5.40n/an/an/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: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306061
PNG
(4-chloro-1-(3-(3-(isopropylsulfonyl)phenoxy)phenyl...)
Show SMILES CC(C)S(=O)(=O)c1cccc(Oc2cccc(c2)-n2c(C)nc3c(Cl)cccc23)c1
Show InChI InChI=1S/C23H21ClN2O3S/c1-15(2)30(27,28)20-10-5-9-19(14-20)29-18-8-4-7-17(13-18)26-16(3)25-23-21(24)11-6-12-22(23)26/h4-15H,1-3H3
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n/an/a 5.60n/an/an/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: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306058
PNG
(1-(3-(3-(ethylsulfonyl)phenoxy)phenyl)-2-methyl-4-...)
Show SMILES CCS(=O)(=O)c1cccc(Oc2cccc(c2)-n2c(C)nc3c(cccc23)C(F)(F)F)c1
Show InChI InChI=1S/C23H19F3N2O3S/c1-3-32(29,30)19-10-5-9-18(14-19)31-17-8-4-7-16(13-17)28-15(2)27-22-20(23(24,25)26)11-6-12-21(22)28/h4-14H,3H2,1-2H3
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n/an/a 5.70n/an/an/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: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306028
PNG
(2-methyl-1-(3-(3-(methylsulfonyl)phenoxy)phenyl)-4...)
Show SMILES Cc1nc2c(cccc2n1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1)C(F)(F)F
Show InChI InChI=1S/C22H17F3N2O3S/c1-14-26-21-19(22(23,24)25)10-5-11-20(21)27(14)15-6-3-7-16(12-15)30-17-8-4-9-18(13-17)31(2,28)29/h3-13H,1-2H3
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n/an/a 7n/an/an/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: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306056
PNG
(4-chloro-2-methyl-1-(3-(3-(methylsulfonyl)phenoxy)...)
Show SMILES Cc1nc2c(Cl)cccc2n1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1
Show InChI InChI=1S/C21H17ClN2O3S/c1-14-23-21-19(22)10-5-11-20(21)24(14)15-6-3-7-16(12-15)27-17-8-4-9-18(13-17)28(2,25)26/h3-13H,1-2H3
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n/an/a 7.30n/an/an/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: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
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/a 9n/an/an/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: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306080
PNG
(4-chloro-1-(2-chloro-5-(3-(ethylsulfonyl)phenoxy)p...)
Show SMILES CCS(=O)(=O)c1cccc(Oc2ccc(Cl)c(c2)-n2c(C)nc3c(Cl)cccc23)c1
Show InChI InChI=1S/C22H18Cl2N2O3S/c1-3-30(27,28)17-7-4-6-15(12-17)29-16-10-11-18(23)21(13-16)26-14(2)25-22-19(24)8-5-9-20(22)26/h4-13H,3H2,1-2H3
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n/an/a 12n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306063
PNG
(3-(3-(3-(2-methyl-4-(trifluoromethyl)-1H-benzo[d]i...)
Show SMILES Cc1nc2c(cccc2n1-c1cccc(Oc2cccc(c2)S(=O)(=O)CCCO)c1)C(F)(F)F
Show InChI InChI=1S/C24H21F3N2O4S/c1-16-28-23-21(24(25,26)27)10-4-11-22(23)29(16)17-6-2-7-18(14-17)33-19-8-3-9-20(15-19)34(31,32)13-5-12-30/h2-4,6-11,14-15,30H,5,12-13H2,1H3
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n/an/a 13n/an/an/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: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306065
PNG
(1-(3-(3-fluoro-5-(methylsulfonyl)phenoxy)phenyl)-2...)
Show SMILES Cc1nc2c(cccc2n1-c1cccc(Oc2cc(F)cc(c2)S(C)(=O)=O)c1)C(F)(F)F
Show InChI InChI=1S/C22H16F4N2O3S/c1-13-27-21-19(22(24,25)26)7-4-8-20(21)28(13)15-5-3-6-16(11-15)31-17-9-14(23)10-18(12-17)32(2,29)30/h3-12H,1-2H3
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n/an/a 13n/an/an/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: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
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/a 13n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306079
PNG
(4-chloro-1-(2-chloro-5-(3-(methylsulfonyl)phenoxy)...)
Show SMILES Cc1nc2c(Cl)cccc2n1-c1cc(Oc2cccc(c2)S(C)(=O)=O)ccc1Cl
Show InChI InChI=1S/C21H16Cl2N2O3S/c1-13-24-21-18(23)7-4-8-19(21)25(13)20-12-15(9-10-17(20)22)28-14-5-3-6-16(11-14)29(2,26)27/h3-12H,1-2H3
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n/an/a 14n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306070
PNG
(2-isopropyl-1-(3-(3-(methylsulfonyl)phenoxy)phenyl...)
Show SMILES CC(C)c1nc2c(cccc2n1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1)C(F)(F)F
Show InChI InChI=1S/C24H21F3N2O3S/c1-15(2)23-28-22-20(24(25,26)27)11-6-12-21(22)29(23)16-7-4-8-17(13-16)32-18-9-5-10-19(14-18)33(3,30)31/h4-15H,1-3H3
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n/an/a 16n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306083
PNG
(4-chloro-1-(2-chloro-5-(3-(trifluoromethylsulfonyl...)
Show SMILES Cc1nc2c(Cl)cccc2n1-c1cc(Oc2cccc(c2)S(=O)(=O)C(F)(F)F)ccc1Cl
Show InChI InChI=1S/C21H13Cl2F3N2O3S/c1-12-27-20-17(23)6-3-7-18(20)28(12)19-11-14(8-9-16(19)22)31-13-4-2-5-15(10-13)32(29,30)21(24,25)26/h2-11H,1H3
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n/an/a 17n/an/an/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: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306064
PNG
(4-chloro-2-methyl-1-(3-(3-(trifluoromethylsulfonyl...)
Show SMILES Cc1nc2c(Cl)cccc2n1-c1cccc(Oc2cccc(c2)S(=O)(=O)C(F)(F)F)c1
Show InChI InChI=1S/C21H14ClF3N2O3S/c1-13-26-20-18(22)9-4-10-19(20)27(13)14-5-2-6-15(11-14)30-16-7-3-8-17(12-16)31(28,29)21(23,24)25/h2-12H,1H3
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Wyeth Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306069
PNG
(2-ethyl-1-(3-(3-(methylsulfonyl)phenoxy)phenyl)-4-...)
Show SMILES CCc1nc2c(cccc2n1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1)C(F)(F)F
Show InChI InChI=1S/C23H19F3N2O3S/c1-3-21-27-22-19(23(24,25)26)11-6-12-20(22)28(21)15-7-4-8-16(13-15)31-17-9-5-10-18(14-17)32(2,29)30/h4-14H,3H2,1-2H3
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n/an/a 22n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306062
PNG
(2-methyl-1-(3-(3-(propylsulfonyl)phenoxy)phenyl)-4...)
Show SMILES CCCS(=O)(=O)c1cccc(Oc2cccc(c2)-n2c(C)nc3c(cccc23)C(F)(F)F)c1
Show InChI InChI=1S/C24H21F3N2O3S/c1-3-13-33(30,31)20-10-5-9-19(15-20)32-18-8-4-7-17(14-18)29-16(2)28-23-21(24(25,26)27)11-6-12-22(23)29/h4-12,14-15H,3,13H2,1-2H3
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Wyeth Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306075
PNG
(4-chloro-2-isopropyl-1-(3-(3-(methylsulfonyl)pheno...)
Show SMILES CC(C)c1nc2c(Cl)cccc2n1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1
Show InChI InChI=1S/C23H21ClN2O3S/c1-15(2)23-25-22-20(24)11-6-12-21(22)26(23)16-7-4-8-17(13-16)29-18-9-5-10-19(14-18)30(3,27)28/h4-15H,1-3H3
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Wyeth Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306076
PNG
(1-(2-chloro-5-(3-(methylsulfonyl)phenoxy)phenyl)-4...)
Show SMILES CS(=O)(=O)c1cccc(Oc2ccc(Cl)c(c2)-n2cnc3c(cccc23)C(F)(F)F)c1
Show InChI InChI=1S/C21H14ClF3N2O3S/c1-31(28,29)15-5-2-4-13(10-15)30-14-8-9-17(22)19(11-14)27-12-26-20-16(21(23,24)25)6-3-7-18(20)27/h2-12H,1H3
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Wyeth Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306077
PNG
(1-(2-chloro-5-(3-(ethylsulfonyl)phenoxy)phenyl)-4-...)
Show SMILES CCS(=O)(=O)c1cccc(Oc2ccc(Cl)c(c2)-n2cnc3c(cccc23)C(F)(F)F)c1
Show InChI InChI=1S/C22H16ClF3N2O3S/c1-2-32(29,30)16-6-3-5-14(11-16)31-15-9-10-18(23)20(12-15)28-13-27-21-17(22(24,25)26)7-4-8-19(21)28/h3-13H,2H2,1H3
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Wyeth Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306081
PNG
(4-chloro-1-(2-chloro-5-(3-(isopropylsulfonyl)pheno...)
Show SMILES CC(C)S(=O)(=O)c1cccc(Oc2ccc(Cl)c(c2)-n2c(C)nc3c(Cl)cccc23)c1
Show InChI InChI=1S/C23H20Cl2N2O3S/c1-14(2)31(28,29)18-7-4-6-16(12-18)30-17-10-11-19(24)22(13-17)27-15(3)26-23-20(25)8-5-9-21(23)27/h4-14H,1-3H3
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Wyeth Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306066
PNG
(1-(3-(3-(ethylsulfonyl)-5-fluorophenoxy)phenyl)-2-...)
Show SMILES CCS(=O)(=O)c1cc(F)cc(Oc2cccc(c2)-n2c(C)nc3c(cccc23)C(F)(F)F)c1
Show InChI InChI=1S/C23H18F4N2O3S/c1-3-33(30,31)19-11-15(24)10-18(13-19)32-17-7-4-6-16(12-17)29-14(2)28-22-20(23(25,26)27)8-5-9-21(22)29/h4-13H,3H2,1-2H3
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Wyeth Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306082
PNG
(4-chloro-1-(2-chloro-5-(3-fluoro-5-(methylsulfonyl...)
Show SMILES Cc1nc2c(Cl)cccc2n1-c1cc(Oc2cc(F)cc(c2)S(C)(=O)=O)ccc1Cl
Show InChI InChI=1S/C21H15Cl2FN2O3S/c1-12-25-21-18(23)4-3-5-19(21)26(12)20-11-14(6-7-17(20)22)29-15-8-13(24)9-16(10-15)30(2,27)28/h3-11H,1-2H3
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Wyeth Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306067
PNG
(1-(3-(3-(methylsulfonyl)phenoxy)phenyl)-4-(trifluo...)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-n2cnc3c(cccc23)C(F)(F)F)c1
Show InChI InChI=1S/C21H15F3N2O3S/c1-30(27,28)17-8-3-7-16(12-17)29-15-6-2-5-14(11-15)26-13-25-20-18(21(22,23)24)9-4-10-19(20)26/h2-13H,1H3
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Wyeth Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306078
PNG
(1-(2-chloro-5-(3-(isopropylsulfonyl)phenoxy)phenyl...)
Show SMILES CC(C)S(=O)(=O)c1cccc(Oc2ccc(Cl)c(c2)-n2cnc3c(cccc23)C(F)(F)F)c1
Show InChI InChI=1S/C23H18ClF3N2O3S/c1-14(2)33(30,31)17-6-3-5-15(11-17)32-16-9-10-19(24)21(12-16)29-13-28-22-18(23(25,26)27)7-4-8-20(22)29/h3-14H,1-2H3
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Wyeth Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306083
PNG
(4-chloro-1-(2-chloro-5-(3-(trifluoromethylsulfonyl...)
Show SMILES Cc1nc2c(Cl)cccc2n1-c1cc(Oc2cccc(c2)S(=O)(=O)C(F)(F)F)ccc1Cl
Show InChI InChI=1S/C21H13Cl2F3N2O3S/c1-12-27-20-17(23)6-3-7-18(20)28(12)19-11-14(8-9-16(19)22)31-13-4-2-5-15(10-13)32(29,30)21(24,25)26/h2-11H,1H3
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Wyeth Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306071
PNG
(2-cyclopropyl-1-(3-(3-(methylsulfonyl)phenoxy)phen...)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-n2c(nc3c(cccc23)C(F)(F)F)C2CC2)c1
Show InChI InChI=1S/C24H19F3N2O3S/c1-33(30,31)19-8-3-7-18(14-19)32-17-6-2-5-16(13-17)29-21-10-4-9-20(24(25,26)27)22(21)28-23(29)15-11-12-15/h2-10,13-15H,11-12H2,1H3
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Wyeth Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306059
PNG
(4-chloro-1-(3-(3-(ethylsulfonyl)phenoxy)phenyl)-2-...)
Show SMILES CCS(=O)(=O)c1cccc(Oc2cccc(c2)-n2c(C)nc3c(Cl)cccc23)c1
Show InChI InChI=1S/C22H19ClN2O3S/c1-3-29(26,27)19-10-5-9-18(14-19)28-17-8-4-7-16(13-17)25-15(2)24-22-20(23)11-6-12-21(22)25/h4-14H,3H2,1-2H3
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Wyeth Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306056
PNG
(4-chloro-2-methyl-1-(3-(3-(methylsulfonyl)phenoxy)...)
Show SMILES Cc1nc2c(Cl)cccc2n1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1
Show InChI InChI=1S/C21H17ClN2O3S/c1-14-23-21-19(22)10-5-11-20(21)24(14)15-6-3-7-16(12-15)27-17-8-4-9-18(13-17)28(2,25)26/h3-13H,1-2H3
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Wyeth Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
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