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Compile Data Set for Download or QSAR

Found 48 hits Enz. Inhib. hit(s) with all data for entry = 50031024   
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
Oxysterols receptor 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]TO901317 from human recombinant LXRbeta expressed in Escherichia coli by flashplate method


Bioorg Med Chem Lett 20: 689-93 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.062
BindingDB Entry DOI: 10.7270/Q2W66KV8
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50305501
PNG
(CHEMBL590098 | ethyl 4-(3-(3-(methylsulfonyl)pheno...)
Show SMILES CCOC(=O)c1cnc2c(cccc2c1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1)C(F)(F)F
Show InChI InChI=1S/C26H20F3NO5S/c1-3-34-25(31)21-15-30-24-20(11-6-12-22(24)26(27,28)29)23(21)16-7-4-8-17(13-16)35-18-9-5-10-19(14-18)36(2,32)33/h4-15H,3H2,1-2H3
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n/an/a 2n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]TO901317 from human recombinant LXRbeta expressed in Escherichia coli by flashplate method


Bioorg Med Chem Lett 20: 689-93 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.062
BindingDB Entry DOI: 10.7270/Q2W66KV8
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(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 2n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]TO901317 from human recombinant LXRalpha expressed in Escherichia coli by flashplate method


Bioorg Med Chem Lett 20: 689-93 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.062
BindingDB Entry DOI: 10.7270/Q2W66KV8
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50305499
PNG
(4-(3-(3-(methylsulfonyl)phenoxy)phenyl)-8-(trifluo...)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C#N)c1
Show InChI InChI=1S/C24H15F3N2O3S/c1-33(30,31)19-8-3-7-18(12-19)32-17-6-2-5-15(11-17)22-16(13-28)14-29-23-20(22)9-4-10-21(23)24(25,26)27/h2-12,14H,1H3
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n/an/a 2.20n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]TO901317 from human recombinant LXRbeta expressed in Escherichia coli by flashplate method


Bioorg Med Chem Lett 20: 689-93 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.062
BindingDB Entry DOI: 10.7270/Q2W66KV8
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50305491
PNG
(4-(3-(3-(isopropylsulfonyl)phenoxy)phenyl)-8-(trif...)
Show SMILES CC(C)S(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(N)=O)c1
Show InChI InChI=1S/C26H21F3N2O4S/c1-15(2)36(33,34)19-9-4-8-18(13-19)35-17-7-3-6-16(12-17)23-20-10-5-11-22(26(27,28)29)24(20)31-14-21(23)25(30)32/h3-15H,1-2H3,(H2,30,32)
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n/an/a 5n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]TO901317 from human recombinant LXRbeta expressed in Escherichia coli by flashplate method


Bioorg Med Chem Lett 20: 689-93 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.062
BindingDB Entry DOI: 10.7270/Q2W66KV8
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50305501
PNG
(CHEMBL590098 | ethyl 4-(3-(3-(methylsulfonyl)pheno...)
Show SMILES CCOC(=O)c1cnc2c(cccc2c1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1)C(F)(F)F
Show InChI InChI=1S/C26H20F3NO5S/c1-3-34-25(31)21-15-30-24-20(11-6-12-22(24)26(27,28)29)23(21)16-7-4-8-17(13-16)35-18-9-5-10-19(14-18)36(2,32)33/h4-15H,3H2,1-2H3
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n/an/a 6.60n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]TO901317 from human recombinant LXRalpha expressed in Escherichia coli by flashplate method


Bioorg Med Chem Lett 20: 689-93 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.062
BindingDB Entry DOI: 10.7270/Q2W66KV8
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


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



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]TO901317 from human recombinant LXRbeta expressed in Escherichia coli by flashplate method


Bioorg Med Chem Lett 20: 689-93 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.062
BindingDB Entry DOI: 10.7270/Q2W66KV8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50305493
PNG
(4-(3-(3-(ethylsulfonyl)phenoxy)phenyl)-8-(trifluor...)
Show SMILES CCS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(N)=O)c1
Show InChI InChI=1S/C25H19F3N2O4S/c1-2-35(32,33)18-9-4-8-17(13-18)34-16-7-3-6-15(12-16)22-19-10-5-11-21(25(26,27)28)23(19)30-14-20(22)24(29)31/h3-14H,2H2,1H3,(H2,29,31)
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n/an/a 11n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]TO901317 from human recombinant LXRbeta expressed in Escherichia coli by flashplate method


Bioorg Med Chem Lett 20: 689-93 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.062
BindingDB Entry DOI: 10.7270/Q2W66KV8
More data for this
Ligand-Target Pair
Oxysterols receptor 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 13n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]TO901317 from human recombinant LXRalpha expressed in Escherichia coli by flashplate method


Bioorg Med Chem Lett 20: 689-93 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.062
BindingDB Entry DOI: 10.7270/Q2W66KV8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50305499
PNG
(4-(3-(3-(methylsulfonyl)phenoxy)phenyl)-8-(trifluo...)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C#N)c1
Show InChI InChI=1S/C24H15F3N2O3S/c1-33(30,31)19-8-3-7-18(12-19)32-17-6-2-5-15(11-17)22-16(13-28)14-29-23-20(22)9-4-10-21(23)24(25,26)27/h2-12,14H,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]TO901317 from human recombinant LXRalpha expressed in Escherichia coli by flashplate method


Bioorg Med Chem Lett 20: 689-93 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.062
BindingDB Entry DOI: 10.7270/Q2W66KV8
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50305487
PNG
(8-chloro-4-(3-(3-(methylsulfonyl)phenoxy)phenyl)qu...)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(cnc3c(Cl)cccc23)C(N)=O)c1
Show InChI InChI=1S/C23H17ClN2O4S/c1-31(28,29)17-8-3-7-16(12-17)30-15-6-2-5-14(11-15)21-18-9-4-10-20(24)22(18)26-13-19(21)23(25)27/h2-13H,1H3,(H2,25,27)
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n/an/a 16n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]TO901317 from human recombinant LXRbeta expressed in Escherichia coli by flashplate method


Bioorg Med Chem Lett 20: 689-93 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.062
BindingDB Entry DOI: 10.7270/Q2W66KV8
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50305495
PNG
(4-(3-(3-fluoro-5-(methylsulfonyl)phenoxy)phenyl)-8...)
Show SMILES CS(=O)(=O)c1cc(F)cc(Oc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(N)=O)c1
Show InChI InChI=1S/C24H16F4N2O4S/c1-35(32,33)17-10-14(25)9-16(11-17)34-15-5-2-4-13(8-15)21-18-6-3-7-20(24(26,27)28)22(18)30-12-19(21)23(29)31/h2-12H,1H3,(H2,29,31)
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n/an/a 18n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]TO901317 from human recombinant LXRbeta expressed in Escherichia coli by flashplate method


Bioorg Med Chem Lett 20: 689-93 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.062
BindingDB Entry DOI: 10.7270/Q2W66KV8
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50305504
PNG
(4-(3-(3-(methylsulfonyl)phenoxy)phenyl)-8-(trifluo...)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(N)=O)c1
Show InChI InChI=1S/C24H17F3N2O4S/c1-34(31,32)17-8-3-7-16(12-17)33-15-6-2-5-14(11-15)21-18-9-4-10-20(24(25,26)27)22(18)29-13-19(21)23(28)30/h2-13H,1H3,(H2,28,30)
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n/an/a 18n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]TO901317 from human recombinant LXRbeta expressed in Escherichia coli by flashplate method


Bioorg Med Chem Lett 20: 689-93 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.062
BindingDB Entry DOI: 10.7270/Q2W66KV8
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50305490
PNG
(8-methyl-4-(3-(3-(methylsulfonyl)phenoxy)phenyl)qu...)
Show SMILES Cc1cccc2c(-c3cccc(Oc4cccc(c4)S(C)(=O)=O)c3)c(cnc12)C(N)=O
Show InChI InChI=1S/C24H20N2O4S/c1-15-6-3-11-20-22(21(24(25)27)14-26-23(15)20)16-7-4-8-17(12-16)30-18-9-5-10-19(13-18)31(2,28)29/h3-14H,1-2H3,(H2,25,27)
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n/an/a 28n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]TO901317 from human recombinant LXRbeta expressed in Escherichia coli by flashplate method


Bioorg Med Chem Lett 20: 689-93 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.062
BindingDB Entry DOI: 10.7270/Q2W66KV8
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50305492
PNG
(4-(3-(3-(propylsulfonyl)phenoxy)phenyl)-8-(trifluo...)
Show SMILES CCCS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(N)=O)c1
Show InChI InChI=1S/C26H21F3N2O4S/c1-2-12-36(33,34)19-9-4-8-18(14-19)35-17-7-3-6-16(13-17)23-20-10-5-11-22(26(27,28)29)24(20)31-15-21(23)25(30)32/h3-11,13-15H,2,12H2,1H3,(H2,30,32)
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n/an/a 57n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]TO901317 from human recombinant LXRbeta expressed in Escherichia coli by flashplate method


Bioorg Med Chem Lett 20: 689-93 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.062
BindingDB Entry DOI: 10.7270/Q2W66KV8
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50305494
PNG
(4-(3-(3-chloro-5-(methylsulfonyl)phenoxy)phenyl)-8...)
Show SMILES CS(=O)(=O)c1cc(Cl)cc(Oc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(N)=O)c1
Show InChI InChI=1S/C24H16ClF3N2O4S/c1-35(32,33)17-10-14(25)9-16(11-17)34-15-5-2-4-13(8-15)21-18-6-3-7-20(24(26,27)28)22(18)30-12-19(21)23(29)31/h2-12H,1H3,(H2,29,31)
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n/an/a 62n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]TO901317 from human recombinant LXRbeta expressed in Escherichia coli by flashplate method


Bioorg Med Chem Lett 20: 689-93 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.062
BindingDB Entry DOI: 10.7270/Q2W66KV8
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50305497
PNG
((4-(3-(3-(methylsulfonyl)phenoxy)phenyl)-8-(triflu...)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(CN)cnc3c(cccc23)C(F)(F)F)c1
Show InChI InChI=1S/C24H19F3N2O3S/c1-33(30,31)19-8-3-7-18(12-19)32-17-6-2-5-15(11-17)22-16(13-28)14-29-23-20(22)9-4-10-21(23)24(25,26)27/h2-12,14H,13,28H2,1H3
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n/an/a 77n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]TO901317 from human recombinant LXRbeta expressed in Escherichia coli by flashplate method


Bioorg Med Chem Lett 20: 689-93 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.062
BindingDB Entry DOI: 10.7270/Q2W66KV8
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50305491
PNG
(4-(3-(3-(isopropylsulfonyl)phenoxy)phenyl)-8-(trif...)
Show SMILES CC(C)S(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(N)=O)c1
Show InChI InChI=1S/C26H21F3N2O4S/c1-15(2)36(33,34)19-9-4-8-18(13-19)35-17-7-3-6-16(12-17)23-20-10-5-11-22(26(27,28)29)24(20)31-14-21(23)25(30)32/h3-15H,1-2H3,(H2,30,32)
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n/an/a 286n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]TO901317 from human recombinant LXRalpha expressed in Escherichia coli by flashplate method


Bioorg Med Chem Lett 20: 689-93 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.062
BindingDB Entry DOI: 10.7270/Q2W66KV8
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50305503
PNG
(CHEMBL591815 | N-methyl-4-(3-(3-(methylsulfonyl)ph...)
Show SMILES CNC(=O)c1cnc2c(cccc2c1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1)C(F)(F)F
Show InChI InChI=1S/C25H19F3N2O4S/c1-29-24(31)20-14-30-23-19(10-5-11-21(23)25(26,27)28)22(20)15-6-3-7-16(12-15)34-17-8-4-9-18(13-17)35(2,32)33/h3-14H,1-2H3,(H,29,31)
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Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]TO901317 from human recombinant LXRbeta expressed in Escherichia coli by flashplate method


Bioorg Med Chem Lett 20: 689-93 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.062
BindingDB Entry DOI: 10.7270/Q2W66KV8
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50305497
PNG
((4-(3-(3-(methylsulfonyl)phenoxy)phenyl)-8-(triflu...)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(CN)cnc3c(cccc23)C(F)(F)F)c1
Show InChI InChI=1S/C24H19F3N2O3S/c1-33(30,31)19-8-3-7-18(12-19)32-17-6-2-5-15(11-17)22-16(13-28)14-29-23-20(22)9-4-10-21(23)24(25,26)27/h2-12,14H,13,28H2,1H3
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n/an/a 445n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]TO901317 from human recombinant LXRalpha expressed in Escherichia coli by flashplate method


Bioorg Med Chem Lett 20: 689-93 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.062
BindingDB Entry DOI: 10.7270/Q2W66KV8
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50305493
PNG
(4-(3-(3-(ethylsulfonyl)phenoxy)phenyl)-8-(trifluor...)
Show SMILES CCS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(N)=O)c1
Show InChI InChI=1S/C25H19F3N2O4S/c1-2-35(32,33)18-9-4-8-17(13-18)34-16-7-3-6-15(12-16)22-19-10-5-11-21(25(26,27)28)23(19)30-14-20(22)24(29)31/h3-14H,2H2,1H3,(H2,29,31)
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n/an/a 453n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]TO901317 from human recombinant LXRalpha expressed in Escherichia coli by flashplate method


Bioorg Med Chem Lett 20: 689-93 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.062
BindingDB Entry DOI: 10.7270/Q2W66KV8
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50305487
PNG
(8-chloro-4-(3-(3-(methylsulfonyl)phenoxy)phenyl)qu...)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(cnc3c(Cl)cccc23)C(N)=O)c1
Show InChI InChI=1S/C23H17ClN2O4S/c1-31(28,29)17-8-3-7-16(12-17)30-15-6-2-5-14(11-15)21-18-9-4-10-20(24)22(18)26-13-19(21)23(25)27/h2-13H,1H3,(H2,25,27)
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n/an/a 543n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]TO901317 from human recombinant LXRalpha expressed in Escherichia coli by flashplate method


Bioorg Med Chem Lett 20: 689-93 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.062
BindingDB Entry DOI: 10.7270/Q2W66KV8
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50305495
PNG
(4-(3-(3-fluoro-5-(methylsulfonyl)phenoxy)phenyl)-8...)
Show SMILES CS(=O)(=O)c1cc(F)cc(Oc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(N)=O)c1
Show InChI InChI=1S/C24H16F4N2O4S/c1-35(32,33)17-10-14(25)9-16(11-17)34-15-5-2-4-13(8-15)21-18-6-3-7-20(24(26,27)28)22(18)30-12-19(21)23(29)31/h2-12H,1H3,(H2,29,31)
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n/an/a 552n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]TO901317 from human recombinant LXRalpha expressed in Escherichia coli by flashplate method


Bioorg Med Chem Lett 20: 689-93 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.062
BindingDB Entry DOI: 10.7270/Q2W66KV8
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50305489
PNG
(8-fluoro-4-(3-(3-(methylsulfonyl)phenoxy)phenyl)qu...)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(cnc3c(F)cccc23)C(N)=O)c1
Show InChI InChI=1S/C23H17FN2O4S/c1-31(28,29)17-8-3-7-16(12-17)30-15-6-2-5-14(11-15)21-18-9-4-10-20(24)22(18)26-13-19(21)23(25)27/h2-13H,1H3,(H2,25,27)
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n/an/a 590n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]TO901317 from human recombinant LXRbeta expressed in Escherichia coli by flashplate method


Bioorg Med Chem Lett 20: 689-93 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.062
BindingDB Entry DOI: 10.7270/Q2W66KV8
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50305504
PNG
(4-(3-(3-(methylsulfonyl)phenoxy)phenyl)-8-(trifluo...)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(N)=O)c1
Show InChI InChI=1S/C24H17F3N2O4S/c1-34(31,32)17-8-3-7-16(12-17)33-15-6-2-5-14(11-15)21-18-9-4-10-20(24(25,26)27)22(18)29-13-19(21)23(28)30/h2-13H,1H3,(H2,28,30)
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n/an/a 600n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]TO901317 from human recombinant LXRalpha expressed in Escherichia coli by flashplate method


Bioorg Med Chem Lett 20: 689-93 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.062
BindingDB Entry DOI: 10.7270/Q2W66KV8
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50305502
PNG
(CHEMBL600851 | N-ethyl-4-(3-(3-(methylsulfonyl)phe...)
Show SMILES CCNC(=O)c1cnc2c(cccc2c1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1)C(F)(F)F
Show InChI InChI=1S/C26H21F3N2O4S/c1-3-30-25(32)21-15-31-24-20(11-6-12-22(24)26(27,28)29)23(21)16-7-4-8-17(13-16)35-18-9-5-10-19(14-18)36(2,33)34/h4-15H,3H2,1-2H3,(H,30,32)
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n/an/a 730n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]TO901317 from human recombinant LXRbeta expressed in Escherichia coli by flashplate method


Bioorg Med Chem Lett 20: 689-93 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.062
BindingDB Entry DOI: 10.7270/Q2W66KV8
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50305490
PNG
(8-methyl-4-(3-(3-(methylsulfonyl)phenoxy)phenyl)qu...)
Show SMILES Cc1cccc2c(-c3cccc(Oc4cccc(c4)S(C)(=O)=O)c3)c(cnc12)C(N)=O
Show InChI InChI=1S/C24H20N2O4S/c1-15-6-3-11-20-22(21(24(25)27)14-26-23(15)20)16-7-4-8-17(12-16)30-18-9-5-10-19(13-18)31(2,28)29/h3-14H,1-2H3,(H2,25,27)
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n/an/a 756n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]TO901317 from human recombinant LXRalpha expressed in Escherichia coli by flashplate method


Bioorg Med Chem Lett 20: 689-93 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.062
BindingDB Entry DOI: 10.7270/Q2W66KV8
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50305500
PNG
(4-(3-(3-(methylsulfonyl)phenoxy)phenyl)-8-(trifluo...)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(O)=O)c1
Show InChI InChI=1S/C24H16F3NO5S/c1-34(31,32)17-8-3-7-16(12-17)33-15-6-2-5-14(11-15)21-18-9-4-10-20(24(25,26)27)22(18)28-13-19(21)23(29)30/h2-13H,1H3,(H,29,30)
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n/an/a 1.08E+3n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]TO901317 from human recombinant LXRbeta expressed in Escherichia coli by flashplate method


Bioorg Med Chem Lett 20: 689-93 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.062
BindingDB Entry DOI: 10.7270/Q2W66KV8
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50305492
PNG
(4-(3-(3-(propylsulfonyl)phenoxy)phenyl)-8-(trifluo...)
Show SMILES CCCS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(N)=O)c1
Show InChI InChI=1S/C26H21F3N2O4S/c1-2-12-36(33,34)19-9-4-8-18(14-19)35-17-7-3-6-16(13-17)23-20-10-5-11-22(26(27,28)29)24(20)31-15-21(23)25(30)32/h3-11,13-15H,2,12H2,1H3,(H2,30,32)
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n/an/a 1.37E+3n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]TO901317 from human recombinant LXRalpha expressed in Escherichia coli by flashplate method


Bioorg Med Chem Lett 20: 689-93 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.062
BindingDB Entry DOI: 10.7270/Q2W66KV8
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50305494
PNG
(4-(3-(3-chloro-5-(methylsulfonyl)phenoxy)phenyl)-8...)
Show SMILES CS(=O)(=O)c1cc(Cl)cc(Oc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(N)=O)c1
Show InChI InChI=1S/C24H16ClF3N2O4S/c1-35(32,33)17-10-14(25)9-16(11-17)34-15-5-2-4-13(8-15)21-18-6-3-7-20(24(26,27)28)22(18)30-12-19(21)23(29)31/h2-12H,1H3,(H2,29,31)
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n/an/a 1.77E+3n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]TO901317 from human recombinant LXRalpha expressed in Escherichia coli by flashplate method


Bioorg Med Chem Lett 20: 689-93 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.062
BindingDB Entry DOI: 10.7270/Q2W66KV8
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50305488
PNG
(4-(3-(3-(methylsulfonyl)phenoxy)phenyl)quinoline-3...)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(cnc3ccccc23)C(N)=O)c1
Show InChI InChI=1S/C23H18N2O4S/c1-30(27,28)18-9-5-8-17(13-18)29-16-7-4-6-15(12-16)22-19-10-2-3-11-21(19)25-14-20(22)23(24)26/h2-14H,1H3,(H2,24,26)
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n/an/a 2.85E+3n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]TO901317 from human recombinant LXRbeta expressed in Escherichia coli by flashplate method


Bioorg Med Chem Lett 20: 689-93 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.062
BindingDB Entry DOI: 10.7270/Q2W66KV8
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50305496
PNG
(4-(3-(3-(methylsulfonyl)phenoxy)phenyl)-8-(trifluo...)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(N)=N)c1
Show InChI InChI=1S/C24H18F3N3O3S/c1-34(31,32)17-8-3-7-16(12-17)33-15-6-2-5-14(11-15)21-18-9-4-10-20(24(25,26)27)22(18)30-13-19(21)23(28)29/h2-13H,1H3,(H3,28,29)
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n/an/a 5.13E+3n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]TO901317 from human recombinant LXRbeta expressed in Escherichia coli by flashplate method


Bioorg Med Chem Lett 20: 689-93 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.062
BindingDB Entry DOI: 10.7270/Q2W66KV8
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50305498
PNG
(4-(3-(3-(methylsulfonyl)phenoxy)phenyl)-3-(1H-tetr...)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)-n2cnnn2)c1
Show InChI InChI=1S/C24H16F3N5O3S/c1-36(33,34)18-8-3-7-17(12-18)35-16-6-2-5-15(11-16)22-19-9-4-10-20(24(25,26)27)23(19)28-13-21(22)32-14-29-30-31-32/h2-14H,1H3
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n/an/a 5.29E+3n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]TO901317 from human recombinant LXRbeta expressed in Escherichia coli by flashplate method


Bioorg Med Chem Lett 20: 689-93 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.062
BindingDB Entry DOI: 10.7270/Q2W66KV8
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50305500
PNG
(4-(3-(3-(methylsulfonyl)phenoxy)phenyl)-8-(trifluo...)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(O)=O)c1
Show InChI InChI=1S/C24H16F3NO5S/c1-34(31,32)17-8-3-7-16(12-17)33-15-6-2-5-14(11-15)21-18-9-4-10-20(24(25,26)27)22(18)28-13-19(21)23(29)30/h2-13H,1H3,(H,29,30)
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n/an/a 6.35E+3n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]TO901317 from human recombinant LXRalpha expressed in Escherichia coli by flashplate method


Bioorg Med Chem Lett 20: 689-93 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.062
BindingDB Entry DOI: 10.7270/Q2W66KV8
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50305502
PNG
(CHEMBL600851 | N-ethyl-4-(3-(3-(methylsulfonyl)phe...)
Show SMILES CCNC(=O)c1cnc2c(cccc2c1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1)C(F)(F)F
Show InChI InChI=1S/C26H21F3N2O4S/c1-3-30-25(32)21-15-31-24-20(11-6-12-22(24)26(27,28)29)23(21)16-7-4-8-17(13-16)35-18-9-5-10-19(14-18)36(2,33)34/h4-15H,3H2,1-2H3,(H,30,32)
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n/an/a 6.86E+3n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]TO901317 from human recombinant LXRalpha expressed in Escherichia coli by flashplate method


Bioorg Med Chem Lett 20: 689-93 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.062
BindingDB Entry DOI: 10.7270/Q2W66KV8
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50305503
PNG
(CHEMBL591815 | N-methyl-4-(3-(3-(methylsulfonyl)ph...)
Show SMILES CNC(=O)c1cnc2c(cccc2c1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1)C(F)(F)F
Show InChI InChI=1S/C25H19F3N2O4S/c1-29-24(31)20-14-30-23-19(10-5-11-21(23)25(26,27)28)22(20)15-6-3-7-16(12-15)34-17-8-4-9-18(13-17)35(2,32)33/h3-14H,1-2H3,(H,29,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]TO901317 from human recombinant LXRalpha expressed in Escherichia coli by flashplate method


Bioorg Med Chem Lett 20: 689-93 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.062
BindingDB Entry DOI: 10.7270/Q2W66KV8
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50305488
PNG
(4-(3-(3-(methylsulfonyl)phenoxy)phenyl)quinoline-3...)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(cnc3ccccc23)C(N)=O)c1
Show InChI InChI=1S/C23H18N2O4S/c1-30(27,28)18-9-5-8-17(13-18)29-16-7-4-6-15(12-16)22-19-10-2-3-11-21(19)25-14-20(22)23(24)26/h2-14H,1H3,(H2,24,26)
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Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]TO901317 from human recombinant LXRalpha expressed in Escherichia coli by flashplate method


Bioorg Med Chem Lett 20: 689-93 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.062
BindingDB Entry DOI: 10.7270/Q2W66KV8
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50305489
PNG
(8-fluoro-4-(3-(3-(methylsulfonyl)phenoxy)phenyl)qu...)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(cnc3c(F)cccc23)C(N)=O)c1
Show InChI InChI=1S/C23H17FN2O4S/c1-31(28,29)17-8-3-7-16(12-17)30-15-6-2-5-14(11-15)21-18-9-4-10-20(24)22(18)26-13-19(21)23(25)27/h2-13H,1H3,(H2,25,27)
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n/an/a 1.27E+4n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]TO901317 from human recombinant LXRalpha expressed in Escherichia coli by flashplate method


Bioorg Med Chem Lett 20: 689-93 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.062
BindingDB Entry DOI: 10.7270/Q2W66KV8
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50305498
PNG
(4-(3-(3-(methylsulfonyl)phenoxy)phenyl)-3-(1H-tetr...)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)-n2cnnn2)c1
Show InChI InChI=1S/C24H16F3N5O3S/c1-36(33,34)18-8-3-7-17(12-18)35-16-6-2-5-15(11-16)22-19-9-4-10-20(24(25,26)27)23(19)28-13-21(22)32-14-29-30-31-32/h2-14H,1H3
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n/an/a 2.66E+4n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]TO901317 from human recombinant LXRalpha expressed in Escherichia coli by flashplate method


Bioorg Med Chem Lett 20: 689-93 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.062
BindingDB Entry DOI: 10.7270/Q2W66KV8
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50305496
PNG
(4-(3-(3-(methylsulfonyl)phenoxy)phenyl)-8-(trifluo...)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(N)=N)c1
Show InChI InChI=1S/C24H18F3N3O3S/c1-34(31,32)17-8-3-7-16(12-17)33-15-6-2-5-14(11-15)21-18-9-4-10-20(24(25,26)27)22(18)30-13-19(21)23(28)29/h2-13H,1H3,(H3,28,29)
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n/an/a 2.99E+4n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]TO901317 from human recombinant LXRalpha expressed in Escherichia coli by flashplate method


Bioorg Med Chem Lett 20: 689-93 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.062
BindingDB Entry DOI: 10.7270/Q2W66KV8
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM26066
PNG
(2-[(2-chloro-4-fluorophenyl)methyl]-3-(4-fluorophe...)
Show SMILES Fc1ccc(cc1)-c1n(Cc2ccc(F)cc2Cl)nc2c(cccc12)C(F)(F)F
Show InChI InChI=1S/C21H12ClF5N2/c22-18-10-15(24)9-6-13(18)11-29-20(12-4-7-14(23)8-5-12)16-2-1-3-17(19(16)28-29)21(25,26)27/h1-10H,11H2
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n/an/an/an/a 6.66E+3n/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]TO901317 from human recombinant LXRalpha expressed in Escherichia coli by flashplate method


Bioorg Med Chem Lett 20: 689-93 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.062
BindingDB Entry DOI: 10.7270/Q2W66KV8
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM19993
PNG
(CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2
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n/an/an/an/a 170n/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human LXRbeta ligand binding domain expressed in human HuH7 cells co-transfected with Gal4-DBD by transactivation assay


Bioorg Med Chem Lett 20: 689-93 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.062
BindingDB Entry DOI: 10.7270/Q2W66KV8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Oxysterols receptor 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/an/an/a 140n/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]TO901317 from human recombinant LXRalpha expressed in Escherichia coli by flashplate method


Bioorg Med Chem Lett 20: 689-93 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.062
BindingDB Entry DOI: 10.7270/Q2W66KV8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50305487
PNG
(8-chloro-4-(3-(3-(methylsulfonyl)phenoxy)phenyl)qu...)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(cnc3c(Cl)cccc23)C(N)=O)c1
Show InChI InChI=1S/C23H17ClN2O4S/c1-31(28,29)17-8-3-7-16(12-17)30-15-6-2-5-14(11-15)21-18-9-4-10-20(24)22(18)26-13-19(21)23(25)27/h2-13H,1H3,(H2,25,27)
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n/an/an/an/a 3.00E+3n/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human LXRalpha ligand binding domain expressed in human HuH7 cells co-transfected with Gal4-DBD by transactivation assay


Bioorg Med Chem Lett 20: 689-93 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.062
BindingDB Entry DOI: 10.7270/Q2W66KV8
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50305487
PNG
(8-chloro-4-(3-(3-(methylsulfonyl)phenoxy)phenyl)qu...)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(cnc3c(Cl)cccc23)C(N)=O)c1
Show InChI InChI=1S/C23H17ClN2O4S/c1-31(28,29)17-8-3-7-16(12-17)30-15-6-2-5-14(11-15)21-18-9-4-10-20(24)22(18)26-13-19(21)23(25)27/h2-13H,1H3,(H2,25,27)
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n/an/an/an/a 630n/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human LXRbeta ligand binding domain expressed in human HuH7 cells co-transfected with Gal4-DBD by transactivation assay


Bioorg Med Chem Lett 20: 689-93 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.062
BindingDB Entry DOI: 10.7270/Q2W66KV8
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50305504
PNG
(4-(3-(3-(methylsulfonyl)phenoxy)phenyl)-8-(trifluo...)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(N)=O)c1
Show InChI InChI=1S/C24H17F3N2O4S/c1-34(31,32)17-8-3-7-16(12-17)33-15-6-2-5-14(11-15)21-18-9-4-10-20(24(25,26)27)22(18)29-13-19(21)23(28)30/h2-13H,1H3,(H2,28,30)
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n/an/an/an/a 1.60E+3n/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human LXRbeta ligand binding domain expressed in human HuH7 cells co-transfected with Gal4-DBD by transactivation assay


Bioorg Med Chem Lett 20: 689-93 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.062
BindingDB Entry DOI: 10.7270/Q2W66KV8
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50305504
PNG
(4-(3-(3-(methylsulfonyl)phenoxy)phenyl)-8-(trifluo...)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(N)=O)c1
Show InChI InChI=1S/C24H17F3N2O4S/c1-34(31,32)17-8-3-7-16(12-17)33-15-6-2-5-14(11-15)21-18-9-4-10-20(24(25,26)27)22(18)29-13-19(21)23(28)30/h2-13H,1H3,(H2,28,30)
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n/an/an/an/a 4.50E+3n/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human LXRalpha ligand binding domain expressed in human HuH7 cells co-transfected with Gal4-DBD by transactivation assay


Bioorg Med Chem Lett 20: 689-93 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.062
BindingDB Entry DOI: 10.7270/Q2W66KV8
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM26066
PNG
(2-[(2-chloro-4-fluorophenyl)methyl]-3-(4-fluorophe...)
Show SMILES Fc1ccc(cc1)-c1n(Cc2ccc(F)cc2Cl)nc2c(cccc12)C(F)(F)F
Show InChI InChI=1S/C21H12ClF5N2/c22-18-10-15(24)9-6-13(18)11-29-20(12-4-7-14(23)8-5-12)16-2-1-3-17(19(16)28-29)21(25,26)27/h1-10H,11H2
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n/an/an/an/a 3.67E+3n/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human LXRbeta ligand binding domain expressed in human HuH7 cells co-transfected with Gal4-DBD by transactivation assay


Bioorg Med Chem Lett 20: 689-93 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.062
BindingDB Entry DOI: 10.7270/Q2W66KV8
More data for this
Ligand-Target Pair