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PubMed code 20382019

Compile data set for download or QSAR
Found 51 hits of Enzyme Inhibition Constant Data   
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))		BDBM50317735
PNG
(3-benzyl-4-(3'-(methylsulfonyl)biphenyl-3-yl)-8-(t...)
Show SMILES CS(=O)(=O)c1cccc(c1)-c1cccc(c1)-c1c(Cc2ccccc2)cnc2c(cccc12)C(F)(F)F
Show InChI InChI=1S/C30H22F3NO2S/c1-37(35,36)25-13-6-11-22(18-25)21-10-5-12-23(17-21)28-24(16-20-8-3-2-4-9-20)19-34-29-26(28)14-7-15-27(29)30(31,32)33/h2-15,17-19H,16H2,1H3
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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 LXRbeta ligand binding domain

Bioorg Med Chem Lett 20: 2903-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.031
BindingDB Entry DOI: 10.7270/Q2TD9XJZ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50317744
PNG
(4-(4'-fluoro-3'-(methylsulfonyl)biphenyl-3-yl)-3-m...)
Show SMILES Cc1cnc2c(cccc2c1-c1cccc(c1)-c1ccc(F)c(c1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C24H17F4NO2S/c1-14-13-29-23-18(7-4-8-19(23)24(26,27)28)22(14)17-6-3-5-15(11-17)16-9-10-20(25)21(12-16)32(2,30)31/h3-13H,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 LXRbeta ligand binding domain

Bioorg Med Chem Lett 20: 2903-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.031
BindingDB Entry DOI: 10.7270/Q2TD9XJZ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50317733
PNG
(3-methyl-4-(3'-(methylsulfonyl)biphenyl-3-yl)-8-(t...)
Show SMILES Cc1cnc2c(cccc2c1-c1cccc(c1)-c1cccc(c1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C24H18F3NO2S/c1-15-14-28-23-20(10-5-11-21(23)24(25,26)27)22(15)18-8-3-6-16(12-18)17-7-4-9-19(13-17)31(2,29)30/h3-14H,1-2H3
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Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from LXRbeta ligand binding domain

Bioorg Med Chem Lett 20: 2903-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.031
BindingDB Entry DOI: 10.7270/Q2TD9XJZ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50317737
PNG
(3-ethyl-4-(3'-(methylsulfonyl)biphenyl-3-yl)-8-(tr...)
Show SMILES CCc1cnc2c(cccc2c1-c1cccc(c1)-c1cccc(c1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C25H20F3NO2S/c1-3-16-15-29-24-21(11-6-12-22(24)25(26,27)28)23(16)19-9-4-7-17(13-19)18-8-5-10-20(14-18)32(2,30)31/h4-15H,3H2,1-2H3
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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 LXRbeta ligand binding domain

Bioorg Med Chem Lett 20: 2903-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.031
BindingDB Entry DOI: 10.7270/Q2TD9XJZ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50317746
PNG
(4-(4'-fluoro-3'-(methylsulfonyl)biphenyl-3-yl)-8-(...)
Show SMILES CS(=O)(=O)c1cc(ccc1F)-c1cccc(c1)-c1ccnc2c(cccc12)C(F)(F)F
Show InChI InChI=1S/C23H15F4NO2S/c1-31(29,30)21-13-15(8-9-20(21)24)14-4-2-5-16(12-14)17-10-11-28-22-18(17)6-3-7-19(22)23(25,26)27/h2-13H,1H3
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Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from LXRbeta ligand binding domain

Bioorg Med Chem Lett 20: 2903-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.031
BindingDB Entry DOI: 10.7270/Q2TD9XJZ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50317742
PNG
(3-methyl-4-(4'-methyl-3'-(methylsulfonyl)biphenyl-...)
Show SMILES Cc1ccc(cc1S(C)(=O)=O)-c1cccc(c1)-c1c(C)cnc2c(cccc12)C(F)(F)F
Show InChI InChI=1S/C25H20F3NO2S/c1-15-10-11-18(13-22(15)32(3,30)31)17-6-4-7-19(12-17)23-16(2)14-29-24-20(23)8-5-9-21(24)25(26,27)28/h4-14H,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 LXRbeta ligand binding domain

Bioorg Med Chem Lett 20: 2903-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.031
BindingDB Entry DOI: 10.7270/Q2TD9XJZ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50317745
PNG
(4-(2',4'-difluoro-5'-(methylsulfonyl)biphenyl-3-yl...)
Show SMILES Cc1cnc2c(cccc2c1-c1cccc(c1)-c1cc(c(F)cc1F)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C24H16F5NO2S/c1-13-12-30-23-16(7-4-8-18(23)24(27,28)29)22(13)15-6-3-5-14(9-15)17-10-21(33(2,31)32)20(26)11-19(17)25/h3-12H,1-2H3
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n/an/a 3.30n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from LXRbeta ligand binding domain

Bioorg Med Chem Lett 20: 2903-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.031
BindingDB Entry DOI: 10.7270/Q2TD9XJZ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50317738
PNG
(4-(3'-(methylsulfonyl)biphenyl-3-yl)-3-propyl-8-(t...)
Show SMILES CCCc1cnc2c(cccc2c1-c1cccc(c1)-c1cccc(c1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C26H22F3NO2S/c1-3-7-20-16-30-25-22(12-6-13-23(25)26(27,28)29)24(20)19-10-4-8-17(14-19)18-9-5-11-21(15-18)33(2,31)32/h4-6,8-16H,3,7H2,1-2H3
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Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from LXRbeta ligand binding domain

Bioorg Med Chem Lett 20: 2903-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.031
BindingDB Entry DOI: 10.7270/Q2TD9XJZ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50317739
PNG
(3-isopropyl-4-(3'-(methylsulfonyl)biphenyl-3-yl)-8...)
Show SMILES CC(C)c1cnc2c(cccc2c1-c1cccc(c1)-c1cccc(c1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C26H22F3NO2S/c1-16(2)22-15-30-25-21(11-6-12-23(25)26(27,28)29)24(22)19-9-4-7-17(13-19)18-8-5-10-20(14-18)33(3,31)32/h4-16H,1-3H3
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n/an/a 4.10n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from LXRbeta ligand binding domain

Bioorg Med Chem Lett 20: 2903-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.031
BindingDB Entry DOI: 10.7270/Q2TD9XJZ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50317731
PNG
(4-(3'-(methylsulfonyl)biphenyl-3-yl)-8-(trifluorom...)
Show SMILES CS(=O)(=O)c1cccc(c1)-c1cccc(c1)-c1ccnc2c(cccc12)C(F)(F)F
Show InChI InChI=1S/C23H16F3NO2S/c1-30(28,29)18-8-3-6-16(14-18)15-5-2-7-17(13-15)19-11-12-27-22-20(19)9-4-10-21(22)23(24,25)26/h2-14H,1H3
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n/an/a 4.40n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from LXRbeta ligand binding domain

Bioorg Med Chem Lett 20: 2903-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.031
BindingDB Entry DOI: 10.7270/Q2TD9XJZ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50317737
PNG
(3-ethyl-4-(3'-(methylsulfonyl)biphenyl-3-yl)-8-(tr...)
Show SMILES CCc1cnc2c(cccc2c1-c1cccc(c1)-c1cccc(c1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C25H20F3NO2S/c1-3-16-15-29-24-21(11-6-12-22(24)25(26,27)28)23(16)19-9-4-7-17(13-19)18-8-5-10-20(14-18)32(2,30)31/h4-15H,3H2,1-2H3
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Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from LXRalpha ligand binding domain

Bioorg Med Chem Lett 20: 2903-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.031
BindingDB Entry DOI: 10.7270/Q2TD9XJZ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50317747
PNG
(4-(2',4'-difluoro-5'-(methylsulfonyl)biphenyl-3-yl...)
Show SMILES CS(=O)(=O)c1cc(c(F)cc1F)-c1cccc(c1)-c1ccnc2c(cccc12)C(F)(F)F
Show InChI InChI=1S/C23H14F5NO2S/c1-32(30,31)21-11-17(19(24)12-20(21)25)14-5-2-4-13(10-14)15-8-9-29-22-16(15)6-3-7-18(22)23(26,27)28/h2-12H,1H3
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n/an/a 4.90n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from LXRbeta ligand binding domain

Bioorg Med Chem Lett 20: 2903-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.031
BindingDB Entry DOI: 10.7270/Q2TD9XJZ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50317741
PNG
(4-(3'-(ethylsulfonyl)biphenyl-3-yl)-3-methyl-8-(tr...)
Show SMILES CCS(=O)(=O)c1cccc(c1)-c1cccc(c1)-c1c(C)cnc2c(cccc12)C(F)(F)F
Show InChI InChI=1S/C25H20F3NO2S/c1-3-32(30,31)20-10-5-8-18(14-20)17-7-4-9-19(13-17)23-16(2)15-29-24-21(23)11-6-12-22(24)25(26,27)28/h4-15H,3H2,1-2H3
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n/an/a 5.20n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from LXRbeta ligand binding domain

Bioorg Med Chem Lett 20: 2903-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.031
BindingDB Entry DOI: 10.7270/Q2TD9XJZ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50317735
PNG
(3-benzyl-4-(3'-(methylsulfonyl)biphenyl-3-yl)-8-(t...)
Show SMILES CS(=O)(=O)c1cccc(c1)-c1cccc(c1)-c1c(Cc2ccccc2)cnc2c(cccc12)C(F)(F)F
Show InChI InChI=1S/C30H22F3NO2S/c1-37(35,36)25-13-6-11-22(18-25)21-10-5-12-23(17-21)28-24(16-20-8-3-2-4-9-20)19-34-29-26(28)14-7-15-27(29)30(31,32)33/h2-15,17-19H,16H2,1H3
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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 LXRalpha ligand binding domain

Bioorg Med Chem Lett 20: 2903-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.031
BindingDB Entry DOI: 10.7270/Q2TD9XJZ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50317738
PNG
(4-(3'-(methylsulfonyl)biphenyl-3-yl)-3-propyl-8-(t...)
Show SMILES CCCc1cnc2c(cccc2c1-c1cccc(c1)-c1cccc(c1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C26H22F3NO2S/c1-3-7-20-16-30-25-22(12-6-13-23(25)26(27,28)29)24(20)19-10-4-8-17(14-19)18-9-5-11-21(15-18)33(2,31)32/h4-6,8-16H,3,7H2,1-2H3
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n/an/a 7.60n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from LXRalpha ligand binding domain

Bioorg Med Chem Lett 20: 2903-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.031
BindingDB Entry DOI: 10.7270/Q2TD9XJZ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50317739
PNG
(3-isopropyl-4-(3'-(methylsulfonyl)biphenyl-3-yl)-8...)
Show SMILES CC(C)c1cnc2c(cccc2c1-c1cccc(c1)-c1cccc(c1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C26H22F3NO2S/c1-16(2)22-15-30-25-21(11-6-12-23(25)26(27,28)29)24(22)19-9-4-7-17(13-19)18-8-5-10-20(14-18)33(3,31)32/h4-16H,1-3H3
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Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from LXRalpha ligand binding domain

Bioorg Med Chem Lett 20: 2903-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.031
BindingDB Entry DOI: 10.7270/Q2TD9XJZ
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]T0901317 from LXRbeta ligand binding domain

Bioorg Med Chem Lett 20: 2903-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.031
BindingDB Entry DOI: 10.7270/Q2TD9XJZ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50317733
PNG
(3-methyl-4-(3'-(methylsulfonyl)biphenyl-3-yl)-8-(t...)
Show SMILES Cc1cnc2c(cccc2c1-c1cccc(c1)-c1cccc(c1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C24H18F3NO2S/c1-15-14-28-23-20(10-5-11-21(23)24(25,26)27)22(15)18-8-3-6-16(12-18)17-7-4-9-19(13-17)31(2,29)30/h3-14H,1-2H3
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Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from LXRalpha ligand binding domain

Bioorg Med Chem Lett 20: 2903-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.031
BindingDB Entry DOI: 10.7270/Q2TD9XJZ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50317744
PNG
(4-(4'-fluoro-3'-(methylsulfonyl)biphenyl-3-yl)-3-m...)
Show SMILES Cc1cnc2c(cccc2c1-c1cccc(c1)-c1ccc(F)c(c1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C24H17F4NO2S/c1-14-13-29-23-18(7-4-8-19(23)24(26,27)28)22(14)17-6-3-5-15(11-17)16-9-10-20(25)21(12-16)32(2,30)31/h3-13H,1-2H3
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Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from LXRalpha ligand binding domain

Bioorg Med Chem Lett 20: 2903-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.031
BindingDB Entry DOI: 10.7270/Q2TD9XJZ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50317745
PNG
(4-(2',4'-difluoro-5'-(methylsulfonyl)biphenyl-3-yl...)
Show SMILES Cc1cnc2c(cccc2c1-c1cccc(c1)-c1cc(c(F)cc1F)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C24H16F5NO2S/c1-13-12-30-23-16(7-4-8-18(23)24(27,28)29)22(13)15-6-3-5-14(9-15)17-10-21(33(2,31)32)20(26)11-19(17)25/h3-12H,1-2H3
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n/an/a 10n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from LXRalpha ligand binding domain

Bioorg Med Chem Lett 20: 2903-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.031
BindingDB Entry DOI: 10.7270/Q2TD9XJZ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50317742
PNG
(3-methyl-4-(4'-methyl-3'-(methylsulfonyl)biphenyl-...)
Show SMILES Cc1ccc(cc1S(C)(=O)=O)-c1cccc(c1)-c1c(C)cnc2c(cccc12)C(F)(F)F
Show InChI InChI=1S/C25H20F3NO2S/c1-15-10-11-18(13-22(15)32(3,30)31)17-6-4-7-19(12-17)23-16(2)14-29-24-20(23)8-5-9-21(24)25(26,27)28/h4-14H,1-3H3
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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 LXRalpha ligand binding domain

Bioorg Med Chem Lett 20: 2903-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.031
BindingDB Entry DOI: 10.7270/Q2TD9XJZ
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]T0901317 from LXRalpha ligand binding domain

Bioorg Med Chem Lett 20: 2903-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.031
BindingDB Entry DOI: 10.7270/Q2TD9XJZ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50317747
PNG
(4-(2',4'-difluoro-5'-(methylsulfonyl)biphenyl-3-yl...)
Show SMILES CS(=O)(=O)c1cc(c(F)cc1F)-c1cccc(c1)-c1ccnc2c(cccc12)C(F)(F)F
Show InChI InChI=1S/C23H14F5NO2S/c1-32(30,31)21-11-17(19(24)12-20(21)25)14-5-2-4-13(10-14)15-8-9-29-22-16(15)6-3-7-18(22)23(26,27)28/h2-12H,1H3
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n/an/a 25n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from LXRalpha ligand binding domain

Bioorg Med Chem Lett 20: 2903-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.031
BindingDB Entry DOI: 10.7270/Q2TD9XJZ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50317746
PNG
(4-(4'-fluoro-3'-(methylsulfonyl)biphenyl-3-yl)-8-(...)
Show SMILES CS(=O)(=O)c1cc(ccc1F)-c1cccc(c1)-c1ccnc2c(cccc12)C(F)(F)F
Show InChI InChI=1S/C23H15F4NO2S/c1-31(29,30)21-13-15(8-9-20(21)24)14-4-2-5-16(12-14)17-10-11-28-22-18(17)6-3-7-19(22)23(25,26)27/h2-13H,1H3
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n/an/a 32n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from LXRalpha ligand binding domain

Bioorg Med Chem Lett 20: 2903-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.031
BindingDB Entry DOI: 10.7270/Q2TD9XJZ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50317740
PNG
(4-(3'-(ethylsulfonyl)biphenyl-3-yl)-8-(trifluorome...)
Show SMILES CCS(=O)(=O)c1cccc(c1)-c1cccc(c1)-c1ccnc2c(cccc12)C(F)(F)F
Show InChI InChI=1S/C24H18F3NO2S/c1-2-31(29,30)19-9-4-7-17(15-19)16-6-3-8-18(14-16)20-12-13-28-23-21(20)10-5-11-22(23)24(25,26)27/h3-15H,2H2,1H3
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n/an/a 33n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from LXRbeta ligand binding domain

Bioorg Med Chem Lett 20: 2903-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.031
BindingDB Entry DOI: 10.7270/Q2TD9XJZ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50317731
PNG
(4-(3'-(methylsulfonyl)biphenyl-3-yl)-8-(trifluorom...)
Show SMILES CS(=O)(=O)c1cccc(c1)-c1cccc(c1)-c1ccnc2c(cccc12)C(F)(F)F
Show InChI InChI=1S/C23H16F3NO2S/c1-30(28,29)18-8-3-6-16(14-18)15-5-2-7-17(13-15)19-11-12-27-22-20(19)9-4-10-21(22)23(24,25)26/h2-14H,1H3
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n/an/a 68n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from LXRalpha ligand binding domain

Bioorg Med Chem Lett 20: 2903-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.031
BindingDB Entry DOI: 10.7270/Q2TD9XJZ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50317741
PNG
(4-(3'-(ethylsulfonyl)biphenyl-3-yl)-3-methyl-8-(tr...)
Show SMILES CCS(=O)(=O)c1cccc(c1)-c1cccc(c1)-c1c(C)cnc2c(cccc12)C(F)(F)F
Show InChI InChI=1S/C25H20F3NO2S/c1-3-32(30,31)20-10-5-8-18(14-20)17-7-4-9-19(13-17)23-16(2)15-29-24-21(23)11-6-12-22(24)25(26,27)28/h4-15H,3H2,1-2H3
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n/an/a 73n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from LXRalpha ligand binding domain

Bioorg Med Chem Lett 20: 2903-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.031
BindingDB Entry DOI: 10.7270/Q2TD9XJZ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50317736
PNG
(3-benzyl-4-(4'-(methylsulfonyl)biphenyl-3-yl)-8-(t...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cccc(c1)-c1c(Cc2ccccc2)cnc2c(cccc12)C(F)(F)F
Show InChI InChI=1S/C30H22F3NO2S/c1-37(35,36)25-15-13-21(14-16-25)22-9-5-10-23(18-22)28-24(17-20-7-3-2-4-8-20)19-34-29-26(28)11-6-12-27(29)30(31,32)33/h2-16,18-19H,17H2,1H3
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Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from LXRbeta ligand binding domain

Bioorg Med Chem Lett 20: 2903-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.031
BindingDB Entry DOI: 10.7270/Q2TD9XJZ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50317734
PNG
(3-methyl-4-(4'-(methylsulfonyl)biphenyl-3-yl)-8-(t...)
Show SMILES Cc1cnc2c(cccc2c1-c1cccc(c1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C24H18F3NO2S/c1-15-14-28-23-20(7-4-8-21(23)24(25,26)27)22(15)18-6-3-5-17(13-18)16-9-11-19(12-10-16)31(2,29)30/h3-14H,1-2H3
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Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from LXRbeta ligand binding domain

Bioorg Med Chem Lett 20: 2903-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.031
BindingDB Entry DOI: 10.7270/Q2TD9XJZ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50317740
PNG
(4-(3'-(ethylsulfonyl)biphenyl-3-yl)-8-(trifluorome...)
Show SMILES CCS(=O)(=O)c1cccc(c1)-c1cccc(c1)-c1ccnc2c(cccc12)C(F)(F)F
Show InChI InChI=1S/C24H18F3NO2S/c1-2-31(29,30)19-9-4-7-17(15-19)16-6-3-8-18(14-16)20-12-13-28-23-21(20)10-5-11-22(23)24(25,26)27/h3-15H,2H2,1H3
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n/an/a 362n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from LXRalpha ligand binding domain

Bioorg Med Chem Lett 20: 2903-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.031
BindingDB Entry DOI: 10.7270/Q2TD9XJZ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50317736
PNG
(3-benzyl-4-(4'-(methylsulfonyl)biphenyl-3-yl)-8-(t...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cccc(c1)-c1c(Cc2ccccc2)cnc2c(cccc12)C(F)(F)F
Show InChI InChI=1S/C30H22F3NO2S/c1-37(35,36)25-15-13-21(14-16-25)22-9-5-10-23(18-22)28-24(17-20-7-3-2-4-8-20)19-34-29-26(28)11-6-12-27(29)30(31,32)33/h2-16,18-19H,17H2,1H3
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Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from LXRalpha ligand binding domain

Bioorg Med Chem Lett 20: 2903-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.031
BindingDB Entry DOI: 10.7270/Q2TD9XJZ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50317743
PNG
(4-(4'-methoxy-3'-(methylsulfonyl)biphenyl-3-yl)-3-...)
Show SMILES COc1ccc(cc1S(C)(=O)=O)-c1cccc(c1)-c1c(C)cnc2c(cccc12)C(F)(F)F
Show InChI InChI=1S/C25H20F3NO3S/c1-15-14-29-24-19(8-5-9-20(24)25(26,27)28)23(15)18-7-4-6-16(12-18)17-10-11-21(32-2)22(13-17)33(3,30)31/h4-14H,1-3H3
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n/an/a 629n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from LXRbeta ligand binding domain

Bioorg Med Chem Lett 20: 2903-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.031
BindingDB Entry DOI: 10.7270/Q2TD9XJZ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50317732
PNG
(4-(4'-(methylsulfonyl)biphenyl-3-yl)-8-(trifluorom...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cccc(c1)-c1ccnc2c(cccc12)C(F)(F)F
Show InChI InChI=1S/C23H16F3NO2S/c1-30(28,29)18-10-8-15(9-11-18)16-4-2-5-17(14-16)19-12-13-27-22-20(19)6-3-7-21(22)23(24,25)26/h2-14H,1H3
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Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from LXRbeta ligand binding domain

Bioorg Med Chem Lett 20: 2903-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.031
BindingDB Entry DOI: 10.7270/Q2TD9XJZ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50317734
PNG
(3-methyl-4-(4'-(methylsulfonyl)biphenyl-3-yl)-8-(t...)
Show SMILES Cc1cnc2c(cccc2c1-c1cccc(c1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C24H18F3NO2S/c1-15-14-28-23-20(7-4-8-21(23)24(25,26)27)22(15)18-6-3-5-17(13-18)16-9-11-19(12-10-16)31(2,29)30/h3-14H,1-2H3
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Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from LXRalpha ligand binding domain

Bioorg Med Chem Lett 20: 2903-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.031
BindingDB Entry DOI: 10.7270/Q2TD9XJZ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50317743
PNG
(4-(4'-methoxy-3'-(methylsulfonyl)biphenyl-3-yl)-3-...)
Show SMILES COc1ccc(cc1S(C)(=O)=O)-c1cccc(c1)-c1c(C)cnc2c(cccc12)C(F)(F)F
Show InChI InChI=1S/C25H20F3NO3S/c1-15-14-29-24-19(8-5-9-20(24)25(26,27)28)23(15)18-7-4-6-16(12-18)17-10-11-21(32-2)22(13-17)33(3,30)31/h4-14H,1-3H3
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Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from LXRalpha ligand binding domain

Bioorg Med Chem Lett 20: 2903-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.031
BindingDB Entry DOI: 10.7270/Q2TD9XJZ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50317732
PNG
(4-(4'-(methylsulfonyl)biphenyl-3-yl)-8-(trifluorom...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cccc(c1)-c1ccnc2c(cccc12)C(F)(F)F
Show InChI InChI=1S/C23H16F3NO2S/c1-30(28,29)18-10-8-15(9-11-18)16-4-2-5-17(14-16)19-12-13-27-22-20(19)6-3-7-21(22)23(24,25)26/h2-14H,1H3
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Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from LXRalpha ligand binding domain

Bioorg Med Chem Lett 20: 2903-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.031
BindingDB Entry DOI: 10.7270/Q2TD9XJZ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50317736
PNG
(3-benzyl-4-(4'-(methylsulfonyl)biphenyl-3-yl)-8-(t...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cccc(c1)-c1c(Cc2ccccc2)cnc2c(cccc12)C(F)(F)F
Show InChI InChI=1S/C30H22F3NO2S/c1-37(35,36)25-15-13-21(14-16-25)22-9-5-10-23(18-22)28-24(17-20-7-3-2-4-8-20)19-34-29-26(28)11-6-12-27(29)30(31,32)33/h2-16,18-19H,17H2,1H3
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n/an/an/an/a 3.30E+3n/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant LXRbeta ligand binding domain in HuH7 cells by Gal4 transactivation assay

Bioorg Med Chem Lett 20: 2903-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.031
BindingDB Entry DOI: 10.7270/Q2TD9XJZ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50317744
PNG
(4-(4'-fluoro-3'-(methylsulfonyl)biphenyl-3-yl)-3-m...)
Show SMILES Cc1cnc2c(cccc2c1-c1cccc(c1)-c1ccc(F)c(c1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C24H17F4NO2S/c1-14-13-29-23-18(7-4-8-19(23)24(26,27)28)22(14)17-6-3-5-15(11-17)16-9-10-20(25)21(12-16)32(2,30)31/h3-13H,1-2H3
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Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant LXRbeta ligand binding domain in HuH7 cells by Gal4 transactivation assay

Bioorg Med Chem Lett 20: 2903-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.031
BindingDB Entry DOI: 10.7270/Q2TD9XJZ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50317739
PNG
(3-isopropyl-4-(3'-(methylsulfonyl)biphenyl-3-yl)-8...)
Show SMILES CC(C)c1cnc2c(cccc2c1-c1cccc(c1)-c1cccc(c1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C26H22F3NO2S/c1-16(2)22-15-30-25-21(11-6-12-23(25)26(27,28)29)24(22)19-9-4-7-17(13-19)18-8-5-10-20(14-18)33(3,31)32/h4-16H,1-3H3
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Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant LXRbeta ligand binding domain in HuH7 cells by Gal4 transactivation assay

Bioorg Med Chem Lett 20: 2903-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.031
BindingDB Entry DOI: 10.7270/Q2TD9XJZ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50317741
PNG
(4-(3'-(ethylsulfonyl)biphenyl-3-yl)-3-methyl-8-(tr...)
Show SMILES CCS(=O)(=O)c1cccc(c1)-c1cccc(c1)-c1c(C)cnc2c(cccc12)C(F)(F)F
Show InChI InChI=1S/C25H20F3NO2S/c1-3-32(30,31)20-10-5-8-18(14-20)17-7-4-9-19(13-17)23-16(2)15-29-24-21(23)11-6-12-22(24)25(26,27)28/h4-15H,3H2,1-2H3
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n/an/an/an/a 580n/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant LXRbeta ligand binding domain in HuH7 cells by Gal4 transactivation assay

Bioorg Med Chem Lett 20: 2903-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.031
BindingDB Entry DOI: 10.7270/Q2TD9XJZ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50317738
PNG
(4-(3'-(methylsulfonyl)biphenyl-3-yl)-3-propyl-8-(t...)
Show SMILES CCCc1cnc2c(cccc2c1-c1cccc(c1)-c1cccc(c1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C26H22F3NO2S/c1-3-7-20-16-30-25-22(12-6-13-23(25)26(27,28)29)24(20)19-10-4-8-17(14-19)18-9-5-11-21(15-18)33(2,31)32/h4-6,8-16H,3,7H2,1-2H3
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n/an/an/an/a 106n/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant LXRbeta ligand binding domain in HuH7 cells by Gal4 transactivation assay

Bioorg Med Chem Lett 20: 2903-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.031
BindingDB Entry DOI: 10.7270/Q2TD9XJZ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50317731
PNG
(4-(3'-(methylsulfonyl)biphenyl-3-yl)-8-(trifluorom...)
Show SMILES CS(=O)(=O)c1cccc(c1)-c1cccc(c1)-c1ccnc2c(cccc12)C(F)(F)F
Show InChI InChI=1S/C23H16F3NO2S/c1-30(28,29)18-8-3-6-16(14-18)15-5-2-7-17(13-15)19-11-12-27-22-20(19)9-4-10-21(22)23(24,25)26/h2-14H,1H3
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n/an/an/an/a 525n/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant LXRbeta ligand binding domain in HuH7 cells by Gal4 transactivation assay

Bioorg Med Chem Lett 20: 2903-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.031
BindingDB Entry DOI: 10.7270/Q2TD9XJZ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50317746
PNG
(4-(4'-fluoro-3'-(methylsulfonyl)biphenyl-3-yl)-8-(...)
Show SMILES CS(=O)(=O)c1cc(ccc1F)-c1cccc(c1)-c1ccnc2c(cccc12)C(F)(F)F
Show InChI InChI=1S/C23H15F4NO2S/c1-31(29,30)21-13-15(8-9-20(21)24)14-4-2-5-16(12-14)17-10-11-28-22-18(17)6-3-7-19(22)23(25,26)27/h2-13H,1H3
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n/an/an/an/a 512n/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant LXRbeta ligand binding domain in HuH7 cells by Gal4 transactivation assay

Bioorg Med Chem Lett 20: 2903-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.031
BindingDB Entry DOI: 10.7270/Q2TD9XJZ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50317735
PNG
(3-benzyl-4-(3'-(methylsulfonyl)biphenyl-3-yl)-8-(t...)
Show SMILES CS(=O)(=O)c1cccc(c1)-c1cccc(c1)-c1c(Cc2ccccc2)cnc2c(cccc12)C(F)(F)F
Show InChI InChI=1S/C30H22F3NO2S/c1-37(35,36)25-13-6-11-22(18-25)21-10-5-12-23(17-21)28-24(16-20-8-3-2-4-9-20)19-34-29-26(28)14-7-15-27(29)30(31,32)33/h2-15,17-19H,16H2,1H3
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n/an/an/an/a 100n/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant LXRbeta ligand binding domain in HuH7 cells by Gal4 transactivation assay

Bioorg Med Chem Lett 20: 2903-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.031
BindingDB Entry DOI: 10.7270/Q2TD9XJZ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50317740
PNG
(4-(3'-(ethylsulfonyl)biphenyl-3-yl)-8-(trifluorome...)
Show SMILES CCS(=O)(=O)c1cccc(c1)-c1cccc(c1)-c1ccnc2c(cccc12)C(F)(F)F
Show InChI InChI=1S/C24H18F3NO2S/c1-2-31(29,30)19-9-4-7-17(15-19)16-6-3-8-18(14-16)20-12-13-28-23-21(20)10-5-11-22(23)24(25,26)27/h3-15H,2H2,1H3
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n/an/an/an/a 1.08E+3n/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant LXRbeta ligand binding domain in HuH7 cells by Gal4 transactivation assay

Bioorg Med Chem Lett 20: 2903-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.031
BindingDB Entry DOI: 10.7270/Q2TD9XJZ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50317737
PNG
(3-ethyl-4-(3'-(methylsulfonyl)biphenyl-3-yl)-8-(tr...)
Show SMILES CCc1cnc2c(cccc2c1-c1cccc(c1)-c1cccc(c1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C25H20F3NO2S/c1-3-16-15-29-24-21(11-6-12-22(24)25(26,27)28)23(16)19-9-4-7-17(13-19)18-8-5-10-20(14-18)32(2,30)31/h4-15H,3H2,1-2H3
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n/an/an/an/a 76n/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant LXRbeta ligand binding domain in HuH7 cells by Gal4 transactivation assay

Bioorg Med Chem Lett 20: 2903-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.031
BindingDB Entry DOI: 10.7270/Q2TD9XJZ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50317747
PNG
(4-(2',4'-difluoro-5'-(methylsulfonyl)biphenyl-3-yl...)
Show SMILES CS(=O)(=O)c1cc(c(F)cc1F)-c1cccc(c1)-c1ccnc2c(cccc12)C(F)(F)F
Show InChI InChI=1S/C23H14F5NO2S/c1-32(30,31)21-11-17(19(24)12-20(21)25)14-5-2-4-13(10-14)15-8-9-29-22-16(15)6-3-7-18(22)23(26,27)28/h2-12H,1H3
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n/an/an/an/a 565n/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant LXRbeta ligand binding domain in HuH7 cells by Gal4 transactivation assay

Bioorg Med Chem Lett 20: 2903-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.031
BindingDB Entry DOI: 10.7270/Q2TD9XJZ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50317742
PNG
(3-methyl-4-(4'-methyl-3'-(methylsulfonyl)biphenyl-...)
Show SMILES Cc1ccc(cc1S(C)(=O)=O)-c1cccc(c1)-c1c(C)cnc2c(cccc12)C(F)(F)F
Show InChI InChI=1S/C25H20F3NO2S/c1-15-10-11-18(13-22(15)32(3,30)31)17-6-4-7-19(12-17)23-16(2)14-29-24-20(23)8-5-9-21(24)25(26,27)28/h4-14H,1-3H3
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n/an/an/an/a 175n/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant LXRbeta ligand binding domain in HuH7 cells by Gal4 transactivation assay

Bioorg Med Chem Lett 20: 2903-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.031
BindingDB Entry DOI: 10.7270/Q2TD9XJZ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50317733
PNG
(3-methyl-4-(3'-(methylsulfonyl)biphenyl-3-yl)-8-(t...)
Show SMILES Cc1cnc2c(cccc2c1-c1cccc(c1)-c1cccc(c1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C24H18F3NO2S/c1-15-14-28-23-20(10-5-11-21(23)24(25,26)27)22(15)18-8-3-6-16(12-18)17-7-4-9-19(13-17)31(2,29)30/h3-14H,1-2H3
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n/an/an/an/a 284n/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant LXRbeta ligand binding domain in HuH7 cells by Gal4 transactivation assay

Bioorg Med Chem Lett 20: 2903-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.031
BindingDB Entry DOI: 10.7270/Q2TD9XJZ
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 recombinant LXRbeta ligand binding domain in HuH7 cells by Gal4 transactivation assay

Bioorg Med Chem Lett 20: 2903-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.031
BindingDB Entry DOI: 10.7270/Q2TD9XJZ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50317745
PNG
(4-(2',4'-difluoro-5'-(methylsulfonyl)biphenyl-3-yl...)
Show SMILES Cc1cnc2c(cccc2c1-c1cccc(c1)-c1cc(c(F)cc1F)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C24H16F5NO2S/c1-13-12-30-23-16(7-4-8-18(23)24(27,28)29)22(13)15-6-3-5-14(9-15)17-10-21(33(2,31)32)20(26)11-19(17)25/h3-12H,1-2H3
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n/an/an/an/a 195n/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant LXRbeta ligand binding domain in HuH7 cells by Gal4 transactivation assay

Bioorg Med Chem Lett 20: 2903-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.031
BindingDB Entry DOI: 10.7270/Q2TD9XJZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%