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Compile Data Set for Download or QSAR

Found 192 hits Enz. Inhib. hit(s) with all data for entry = 50018163   
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))
BDBM50192109
PNG
(2-(4-(benzyl(2,2,2-trifluoroethyl)amino)-3-chlorop...)
Show SMILES OC(c1ccc(N(Cc2ccccc2)CC(F)(F)F)c(Cl)c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H13ClF9NO/c19-13-8-12(16(30,17(23,24)25)18(26,27)28)6-7-14(13)29(10-15(20,21)22)9-11-4-2-1-3-5-11/h1-8,30H,9-10H2
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n/an/a 1n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to LXRalpha by radioligand displacement assay


Bioorg Med Chem Lett 16: 5231-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50192137
PNG
(2-(3-chloro-4-(((2-(3-chlorophenyl)-5-methyloxazol...)
Show SMILES CCN(Cc1nc(oc1C)-c1cccc(Cl)c1)c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H18Cl2F6N2O2/c1-3-32(11-17-12(2)34-19(31-17)13-5-4-6-15(23)9-13)18-8-7-14(10-16(18)24)20(33,21(25,26)27)22(28,29)30/h4-10,33H,3,11H2,1-2H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to LXRalpha by radioligand displacement assay


Bioorg Med Chem Lett 16: 5231-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50192148
PNG
(2-(3-chloro-4-(ethyl(thiazol-4-ylmethyl)amino)phen...)
Show SMILES CCN(Cc1cscn1)c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H13ClF6N2OS/c1-2-24(6-10-7-26-8-23-10)12-4-3-9(5-11(12)16)13(25,14(17,18)19)15(20,21)22/h3-5,7-8,25H,2,6H2,1H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to LXRbeta by radioligand displacement assay


Bioorg Med Chem Lett 16: 5231-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50192134
PNG
(2-(4-(benzyl(ethyl)amino)-3-chlorophenyl)-1,1,1,3,...)
Show SMILES CCN(Cc1ccccc1)c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H16ClF6NO/c1-2-26(11-12-6-4-3-5-7-12)15-9-8-13(10-14(15)19)16(27,17(20,21)22)18(23,24)25/h3-10,27H,2,11H2,1H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to LXRalpha by radioligand displacement assay


Bioorg Med Chem Lett 16: 5231-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50192144
PNG
(2-(3-chloro-4-(ethyl(phenethyl)amino)phenyl)-1,1,1...)
Show SMILES CCN(CCc1ccccc1)c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H18ClF6NO/c1-2-27(11-10-13-6-4-3-5-7-13)16-9-8-14(12-15(16)20)17(28,18(21,22)23)19(24,25)26/h3-9,12,28H,2,10-11H2,1H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to LXRbeta by radioligand displacement assay


Bioorg Med Chem Lett 16: 5231-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50192109
PNG
(2-(4-(benzyl(2,2,2-trifluoroethyl)amino)-3-chlorop...)
Show SMILES OC(c1ccc(N(Cc2ccccc2)CC(F)(F)F)c(Cl)c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H13ClF9NO/c19-13-8-12(16(30,17(23,24)25)18(26,27)28)6-7-14(13)29(10-15(20,21)22)9-11-4-2-1-3-5-11/h1-8,30H,9-10H2
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to LXRbeta by radioligand displacement assay


Bioorg Med Chem Lett 16: 5231-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50192134
PNG
(2-(4-(benzyl(ethyl)amino)-3-chlorophenyl)-1,1,1,3,...)
Show SMILES CCN(Cc1ccccc1)c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H16ClF6NO/c1-2-26(11-12-6-4-3-5-7-12)15-9-8-13(10-14(15)19)16(27,17(20,21)22)18(23,24)25/h3-10,27H,2,11H2,1H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to LXRbeta by radioligand displacement assay


Bioorg Med Chem Lett 16: 5231-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50192136
PNG
(2-(4-(ethyl((5-methyl-2-(3-(trifluoromethyl)phenyl...)
Show SMILES CCN(Cc1nc(oc1C)-c1cccc(c1)C(F)(F)F)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H19F9N2O2/c1-3-34(17-9-7-15(8-10-17)20(35,22(27,28)29)23(30,31)32)12-18-13(2)36-19(33-18)14-5-4-6-16(11-14)21(24,25)26/h4-11,35H,3,12H2,1-2H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to LXRbeta by radioligand displacement assay


Bioorg Med Chem Lett 16: 5231-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50192137
PNG
(2-(3-chloro-4-(((2-(3-chlorophenyl)-5-methyloxazol...)
Show SMILES CCN(Cc1nc(oc1C)-c1cccc(Cl)c1)c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H18Cl2F6N2O2/c1-3-32(11-17-12(2)34-19(31-17)13-5-4-6-15(23)9-13)18-8-7-14(10-16(18)24)20(33,21(25,26)27)22(28,29)30/h4-10,33H,3,11H2,1-2H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to LXRbeta by radioligand displacement assay


Bioorg Med Chem Lett 16: 5231-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50192117
PNG
(2-(4-(((2-(3-chlorophenyl)-5-methyloxazol-4-yl)met...)
Show SMILES CCN(Cc1nc(oc1C)-c1cccc(Cl)c1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H19ClF6N2O2/c1-3-31(12-18-13(2)33-19(30-18)14-5-4-6-16(23)11-14)17-9-7-15(8-10-17)20(32,21(24,25)26)22(27,28)29/h4-11,32H,3,12H2,1-2H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to LXRalpha by radioligand displacement assay


Bioorg Med Chem Lett 16: 5231-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50192117
PNG
(2-(4-(((2-(3-chlorophenyl)-5-methyloxazol-4-yl)met...)
Show SMILES CCN(Cc1nc(oc1C)-c1cccc(Cl)c1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H19ClF6N2O2/c1-3-31(12-18-13(2)33-19(30-18)14-5-4-6-16(23)11-14)17-9-7-15(8-10-17)20(32,21(24,25)26)22(27,28)29/h4-11,32H,3,12H2,1-2H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to LXRbeta by radioligand displacement assay


Bioorg Med Chem Lett 16: 5231-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50192144
PNG
(2-(3-chloro-4-(ethyl(phenethyl)amino)phenyl)-1,1,1...)
Show SMILES CCN(CCc1ccccc1)c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H18ClF6NO/c1-2-27(11-10-13-6-4-3-5-7-13)16-9-8-14(12-15(16)20)17(28,18(21,22)23)19(24,25)26/h3-9,12,28H,2,10-11H2,1H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to LXRalpha by radioligand displacement assay


Bioorg Med Chem Lett 16: 5231-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50192136
PNG
(2-(4-(ethyl((5-methyl-2-(3-(trifluoromethyl)phenyl...)
Show SMILES CCN(Cc1nc(oc1C)-c1cccc(c1)C(F)(F)F)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H19F9N2O2/c1-3-34(17-9-7-15(8-10-17)20(35,22(27,28)29)23(30,31)32)12-18-13(2)36-19(33-18)14-5-4-6-16(11-14)21(24,25)26/h4-11,35H,3,12H2,1-2H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to LXRalpha by radioligand displacement assay


Bioorg Med Chem Lett 16: 5231-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50192113
PNG
(2-(3-chloro-4-(ethyl((5-methyl-2-(3-(trifluorometh...)
Show SMILES CCN(Cc1nc(oc1C)-c1cccc(c1)C(F)(F)F)c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H18ClF9N2O2/c1-3-35(18-8-7-14(10-16(18)24)20(36,22(28,29)30)23(31,32)33)11-17-12(2)37-19(34-17)13-5-4-6-15(9-13)21(25,26)27/h4-10,36H,3,11H2,1-2H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to LXRalpha by radioligand displacement assay


Bioorg Med Chem Lett 16: 5231-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50192115
PNG
(3-(4-(2-((2-chloro-4-(1,1,1,3,3,3-hexafluoro-2-hyd...)
Show SMILES CCN(C(COc1ccc(CCC(O)=O)cc1)c1ccccc1)c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C28H26ClF6NO4/c1-2-36(23-14-11-20(16-22(23)29)26(39,27(30,31)32)28(33,34)35)24(19-6-4-3-5-7-19)17-40-21-12-8-18(9-13-21)10-15-25(37)38/h3-9,11-14,16,24,39H,2,10,15,17H2,1H3,(H,37,38)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to LXRbeta by radioligand displacement assay


Bioorg Med Chem Lett 16: 5231-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50192113
PNG
(2-(3-chloro-4-(ethyl((5-methyl-2-(3-(trifluorometh...)
Show SMILES CCN(Cc1nc(oc1C)-c1cccc(c1)C(F)(F)F)c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H18ClF9N2O2/c1-3-35(18-8-7-14(10-16(18)24)20(36,22(28,29)30)23(31,32)33)11-17-12(2)37-19(34-17)13-5-4-6-15(9-13)21(25,26)27/h4-10,36H,3,11H2,1-2H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to LXRbeta by radioligand displacement assay


Bioorg Med Chem Lett 16: 5231-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50192138
PNG
(CHEMBL215904 | methyl 2-(ethyl(4-(1,1,1,3,3,3-hexa...)
Show SMILES CCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)C(C)(C(=O)OC)c1ccccc1
Show InChI InChI=1S/C21H21F6NO3/c1-4-28(18(2,17(29)31-3)14-8-6-5-7-9-14)16-12-10-15(11-13-16)19(30,20(22,23)24)21(25,26)27/h5-13,30H,4H2,1-3H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to LXRbeta by radioligand displacement assay


Bioorg Med Chem Lett 16: 5231-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50192126
PNG
(1,1,1,3,3,3-hexafluoro-2-(4-(((5-methyl-2-(3-(trif...)
Show SMILES Cc1oc(nc1CN(CC(F)(F)F)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H16F12N2O2/c1-12-17(36-18(39-12)13-3-2-4-15(9-13)21(27,28)29)10-37(11-19(24,25)26)16-7-5-14(6-8-16)20(38,22(30,31)32)23(33,34)35/h2-9,38H,10-11H2,1H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to LXRalpha by radioligand displacement assay


Bioorg Med Chem Lett 16: 5231-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50192152
PNG
(2-(4-(2-((2-chloro-4-(1,1,1,3,3,3-hexafluoro-2-hyd...)
Show SMILES CCN(C(COc1ccc(CC(O)=O)cc1)c1ccccc1)c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H24ClF6NO4/c1-2-35(22-13-10-19(15-21(22)28)25(38,26(29,30)31)27(32,33)34)23(18-6-4-3-5-7-18)16-39-20-11-8-17(9-12-20)14-24(36)37/h3-13,15,23,38H,2,14,16H2,1H3,(H,36,37)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to LXRbeta by radioligand displacement assay


Bioorg Med Chem Lett 16: 5231-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50192126
PNG
(1,1,1,3,3,3-hexafluoro-2-(4-(((5-methyl-2-(3-(trif...)
Show SMILES Cc1oc(nc1CN(CC(F)(F)F)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H16F12N2O2/c1-12-17(36-18(39-12)13-3-2-4-15(9-13)21(27,28)29)10-37(11-19(24,25)26)16-7-5-14(6-8-16)20(38,22(30,31)32)23(33,34)35/h2-9,38H,10-11H2,1H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to LXRbeta by radioligand displacement assay


Bioorg Med Chem Lett 16: 5231-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50192148
PNG
(2-(3-chloro-4-(ethyl(thiazol-4-ylmethyl)amino)phen...)
Show SMILES CCN(Cc1cscn1)c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H13ClF6N2OS/c1-2-24(6-10-7-26-8-23-10)12-4-3-9(5-11(12)16)13(25,14(17,18)19)15(20,21)22/h3-5,7-8,25H,2,6H2,1H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to LXRalpha by radioligand displacement assay


Bioorg Med Chem Lett 16: 5231-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50192149
PNG
(CHEMBL215130 | methyl 4-(2-((2-chloro-4-(1,1,1,3,3...)
Show SMILES CCN(C(COc1ccc(cc1)C(=O)OC)c1ccccc1)c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H24ClF6NO4/c1-3-35(22-14-11-19(15-21(22)28)25(37,26(29,30)31)27(32,33)34)23(17-7-5-4-6-8-17)16-39-20-12-9-18(10-13-20)24(36)38-2/h4-15,23,37H,3,16H2,1-2H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to LXRbeta by radioligand displacement assay


Bioorg Med Chem Lett 16: 5231-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50192150
PNG
(4-(2-((2-chloro-4-(1,1,1,3,3,3-hexafluoro-2-hydrox...)
Show SMILES CCN(C(COc1ccc(cc1)C(O)=O)c1ccccc1)c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H22ClF6NO4/c1-2-34(21-13-10-18(14-20(21)27)24(37,25(28,29)30)26(31,32)33)22(16-6-4-3-5-7-16)15-38-19-11-8-17(9-12-19)23(35)36/h3-14,22,37H,2,15H2,1H3,(H,35,36)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to LXRbeta by radioligand displacement assay


Bioorg Med Chem Lett 16: 5231-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80
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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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to LXRalpha by radioligand displacement assay


Bioorg Med Chem Lett 16: 5231-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50192128
PNG
(2-(4-(((2-(3-chlorophenyl)-5-methyloxazol-4-yl)met...)
Show SMILES Cc1oc(nc1CN(CC(F)(F)F)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)-c1cccc(Cl)c1
Show InChI InChI=1S/C22H16ClF9N2O2/c1-12-17(33-18(36-12)13-3-2-4-15(23)9-13)10-34(11-19(24,25)26)16-7-5-14(6-8-16)20(35,21(27,28)29)22(30,31)32/h2-9,35H,10-11H2,1H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to LXRalpha by radioligand displacement assay


Bioorg Med Chem Lett 16: 5231-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50192145
PNG
(CHEMBL383945 | methyl 1-(4-(1,1,1,3,3,3-hexafluoro...)
Show SMILES COC(=O)C1(CCCCN1c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C22H21F6NO3/c1-32-18(30)19(15-7-3-2-4-8-15)13-5-6-14-29(19)17-11-9-16(10-12-17)20(31,21(23,24)25)22(26,27)28/h2-4,7-12,31H,5-6,13-14H2,1H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to LXRbeta by radioligand displacement assay


Bioorg Med Chem Lett 16: 5231-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50192153
PNG
(CHEMBL215167 | methyl 2-((2-chloro-4-(1,1,1,3,3,3-...)
Show SMILES CCN(c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(CC)(C(=O)OC)c1ccccc1
Show InChI InChI=1S/C22H22ClF6NO3/c1-4-19(18(31)33-3,14-9-7-6-8-10-14)30(5-2)17-12-11-15(13-16(17)23)20(32,21(24,25)26)22(27,28)29/h6-13,32H,4-5H2,1-3H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to LXRbeta by radioligand displacement assay


Bioorg Med Chem Lett 16: 5231-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50192118
PNG
(2-(4-(benzyl(ethyl)amino)phenyl)-1,1,1,3,3,3-hexaf...)
Show SMILES CCN(Cc1ccccc1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H17F6NO/c1-2-25(12-13-6-4-3-5-7-13)15-10-8-14(9-11-15)16(26,17(19,20)21)18(22,23)24/h3-11,26H,2,12H2,1H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to LXRbeta by radioligand displacement assay


Bioorg Med Chem Lett 16: 5231-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50192141
PNG
(CHEMBL384298 | methyl 1-(4-(1,1,1,3,3,3-hexafluoro...)
Show SMILES COC(=O)C1(CCCN1c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C21H19F6NO3/c1-31-17(29)18(14-6-3-2-4-7-14)12-5-13-28(18)16-10-8-15(9-11-16)19(30,20(22,23)24)21(25,26)27/h2-4,6-11,30H,5,12-13H2,1H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to LXRbeta by radioligand displacement assay


Bioorg Med Chem Lett 16: 5231-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50192154
PNG
(CHEMBL215959 | methyl 2-(4-(2-((2-chloro-4-(1,1,1,...)
Show SMILES CCN(C(COc1ccc(CC(=O)OC)cc1)c1ccccc1)c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C28H26ClF6NO4/c1-3-36(23-14-11-20(16-22(23)29)26(38,27(30,31)32)28(33,34)35)24(19-7-5-4-6-8-19)17-40-21-12-9-18(10-13-21)15-25(37)39-2/h4-14,16,24,38H,3,15,17H2,1-2H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to LXRbeta by radioligand displacement assay


Bioorg Med Chem Lett 16: 5231-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50192131
PNG
(CHEMBL263089 | methyl 2-(ethyl(4-(1,1,1,3,3,3-hexa...)
Show SMILES CCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)C(CC)(C(=O)OC)c1ccccc1
Show InChI InChI=1S/C22H23F6NO3/c1-4-19(18(30)32-3,15-9-7-6-8-10-15)29(5-2)17-13-11-16(12-14-17)20(31,21(23,24)25)22(26,27)28/h6-14,31H,4-5H2,1-3H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to LXRbeta by radioligand displacement assay


Bioorg Med Chem Lett 16: 5231-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50192118
PNG
(2-(4-(benzyl(ethyl)amino)phenyl)-1,1,1,3,3,3-hexaf...)
Show SMILES CCN(Cc1ccccc1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H17F6NO/c1-2-25(12-13-6-4-3-5-7-13)15-10-8-14(9-11-15)16(26,17(19,20)21)18(22,23)24/h3-11,26H,2,12H2,1H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to LXRalpha by radioligand displacement assay


Bioorg Med Chem Lett 16: 5231-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50192128
PNG
(2-(4-(((2-(3-chlorophenyl)-5-methyloxazol-4-yl)met...)
Show SMILES Cc1oc(nc1CN(CC(F)(F)F)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)-c1cccc(Cl)c1
Show InChI InChI=1S/C22H16ClF9N2O2/c1-12-17(33-18(36-12)13-3-2-4-15(23)9-13)10-34(11-19(24,25)26)16-7-5-14(6-8-16)20(35,21(27,28)29)22(30,31)32/h2-9,35H,10-11H2,1H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to LXRbeta by radioligand displacement assay


Bioorg Med Chem Lett 16: 5231-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50192139
PNG
(CHEMBL214687 | methyl 3-(4-(2-((2-chloro-4-(1,1,1,...)
Show SMILES CCN(C(COc1ccc(CCC(=O)OC)cc1)c1ccccc1)c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C29H28ClF6NO4/c1-3-37(24-15-12-21(17-23(24)30)27(39,28(31,32)33)29(34,35)36)25(20-7-5-4-6-8-20)18-41-22-13-9-19(10-14-22)11-16-26(38)40-2/h4-10,12-15,17,25,39H,3,11,16,18H2,1-2H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to LXRbeta by radioligand displacement assay


Bioorg Med Chem Lett 16: 5231-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50192142
PNG
(1,1,1,3,3,3-hexafluoro-2-(4-(methyl(thiazol-4-ylme...)
Show SMILES CCN(Cc1cscn1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H14F6N2OS/c1-2-23(7-11-8-25-9-22-11)12-5-3-10(4-6-12)13(24,14(16,17)18)15(19,20)21/h3-6,8-9,24H,2,7H2,1H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to LXRbeta by radioligand displacement assay


Bioorg Med Chem Lett 16: 5231-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50192131
PNG
(CHEMBL263089 | methyl 2-(ethyl(4-(1,1,1,3,3,3-hexa...)
Show SMILES CCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)C(CC)(C(=O)OC)c1ccccc1
Show InChI InChI=1S/C22H23F6NO3/c1-4-19(18(30)32-3,15-9-7-6-8-10-15)29(5-2)17-13-11-16(12-14-17)20(31,21(23,24)25)22(26,27)28/h6-14,31H,4-5H2,1-3H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to LXRalpha by radioligand displacement assay


Bioorg Med Chem Lett 16: 5231-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50192138
PNG
(CHEMBL215904 | methyl 2-(ethyl(4-(1,1,1,3,3,3-hexa...)
Show SMILES CCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)C(C)(C(=O)OC)c1ccccc1
Show InChI InChI=1S/C21H21F6NO3/c1-4-28(18(2,17(29)31-3)14-8-6-5-7-9-14)16-12-10-15(11-13-16)19(30,20(22,23)24)21(25,26)27/h5-13,30H,4H2,1-3H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to LXRalpha by radioligand displacement assay


Bioorg Med Chem Lett 16: 5231-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50192141
PNG
(CHEMBL384298 | methyl 1-(4-(1,1,1,3,3,3-hexafluoro...)
Show SMILES COC(=O)C1(CCCN1c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C21H19F6NO3/c1-31-17(29)18(14-6-3-2-4-7-14)12-5-13-28(18)16-10-8-15(9-11-16)19(30,20(22,23)24)21(25,26)27/h2-4,6-11,30H,5,12-13H2,1H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to LXRalpha by radioligand displacement assay


Bioorg Med Chem Lett 16: 5231-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50192115
PNG
(3-(4-(2-((2-chloro-4-(1,1,1,3,3,3-hexafluoro-2-hyd...)
Show SMILES CCN(C(COc1ccc(CCC(O)=O)cc1)c1ccccc1)c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C28H26ClF6NO4/c1-2-36(23-14-11-20(16-22(23)29)26(39,27(30,31)32)28(33,34)35)24(19-6-4-3-5-7-19)17-40-21-12-8-18(9-13-21)10-15-25(37)38/h3-9,11-14,16,24,39H,2,10,15,17H2,1H3,(H,37,38)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to LXRalpha by radioligand displacement assay


Bioorg Med Chem Lett 16: 5231-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50192153
PNG
(CHEMBL215167 | methyl 2-((2-chloro-4-(1,1,1,3,3,3-...)
Show SMILES CCN(c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(CC)(C(=O)OC)c1ccccc1
Show InChI InChI=1S/C22H22ClF6NO3/c1-4-19(18(31)33-3,14-9-7-6-8-10-14)30(5-2)17-12-11-15(13-16(17)23)20(32,21(24,25)26)22(27,28)29/h6-13,32H,4-5H2,1-3H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to LXRalpha by radioligand displacement assay


Bioorg Med Chem Lett 16: 5231-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50192145
PNG
(CHEMBL383945 | methyl 1-(4-(1,1,1,3,3,3-hexafluoro...)
Show SMILES COC(=O)C1(CCCCN1c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C22H21F6NO3/c1-32-18(30)19(15-7-3-2-4-8-15)13-5-6-14-29(19)17-11-9-16(10-12-17)20(31,21(23,24)25)22(26,27)28/h2-4,7-12,31H,5-6,13-14H2,1H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to LXRalpha by radioligand displacement assay


Bioorg Med Chem Lett 16: 5231-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50192127
PNG
(2-(ethyl(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan...)
Show SMILES CCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)C(C)(C(=O)N(C)C)c1ccccc1
Show InChI InChI=1S/C22H24F6N2O2/c1-5-30(19(2,18(31)29(3)4)15-9-7-6-8-10-15)17-13-11-16(12-14-17)20(32,21(23,24)25)22(26,27)28/h6-14,32H,5H2,1-4H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to LXRbeta by radioligand displacement assay


Bioorg Med Chem Lett 16: 5231-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50192149
PNG
(CHEMBL215130 | methyl 4-(2-((2-chloro-4-(1,1,1,3,3...)
Show SMILES CCN(C(COc1ccc(cc1)C(=O)OC)c1ccccc1)c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H24ClF6NO4/c1-3-35(22-14-11-19(15-21(22)28)25(37,26(29,30)31)27(32,33)34)23(17-7-5-4-6-8-17)16-39-20-12-9-18(10-13-20)24(36)38-2/h4-15,23,37H,3,16H2,1-2H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to LXRalpha by radioligand displacement assay


Bioorg Med Chem Lett 16: 5231-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50192133
PNG
(2-(4-(benzyl(2,2,2-trifluoroethyl)amino)phenyl)-1,...)
Show SMILES OC(c1ccc(cc1)N(Cc1ccccc1)CC(F)(F)F)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H14F9NO/c19-15(20,21)11-28(10-12-4-2-1-3-5-12)14-8-6-13(7-9-14)16(29,17(22,23)24)18(25,26)27/h1-9,29H,10-11H2
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to LXRbeta by radioligand displacement assay


Bioorg Med Chem Lett 16: 5231-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80
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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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to LXRbeta by radioligand displacement assay


Bioorg Med Chem Lett 16: 5231-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50192133
PNG
(2-(4-(benzyl(2,2,2-trifluoroethyl)amino)phenyl)-1,...)
Show SMILES OC(c1ccc(cc1)N(Cc1ccccc1)CC(F)(F)F)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H14F9NO/c19-15(20,21)11-28(10-12-4-2-1-3-5-12)14-8-6-13(7-9-14)16(29,17(22,23)24)18(25,26)27/h1-9,29H,10-11H2
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to LXRalpha by radioligand displacement assay


Bioorg Med Chem Lett 16: 5231-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50192124
PNG
(2-(3-chloro-4-(ethyl(2-hydroxy-1-phenylethyl)amino...)
Show SMILES CCN(C(CO)c1ccccc1)c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H18ClF6NO2/c1-2-27(16(11-28)12-6-4-3-5-7-12)15-9-8-13(10-14(15)20)17(29,18(21,22)23)19(24,25)26/h3-10,16,28-29H,2,11H2,1H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to LXRbeta by radioligand displacement assay


Bioorg Med Chem Lett 16: 5231-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50192139
PNG
(CHEMBL214687 | methyl 3-(4-(2-((2-chloro-4-(1,1,1,...)
Show SMILES CCN(C(COc1ccc(CCC(=O)OC)cc1)c1ccccc1)c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C29H28ClF6NO4/c1-3-37(24-15-12-21(17-23(24)30)27(39,28(31,32)33)29(34,35)36)25(20-7-5-4-6-8-20)18-41-22-13-9-19(10-14-22)11-16-26(38)40-2/h4-10,12-15,17,25,39H,3,11,16,18H2,1-2H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to LXRalpha by radioligand displacement assay


Bioorg Med Chem Lett 16: 5231-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50192150
PNG
(4-(2-((2-chloro-4-(1,1,1,3,3,3-hexafluoro-2-hydrox...)
Show SMILES CCN(C(COc1ccc(cc1)C(O)=O)c1ccccc1)c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H22ClF6NO4/c1-2-34(21-13-10-18(14-20(21)27)24(37,25(28,29)30)26(31,32)33)22(16-6-4-3-5-7-16)15-38-19-11-8-17(9-12-19)23(35)36/h3-14,22,37H,2,15H2,1H3,(H,35,36)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to LXRalpha by radioligand displacement assay


Bioorg Med Chem Lett 16: 5231-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50192152
PNG
(2-(4-(2-((2-chloro-4-(1,1,1,3,3,3-hexafluoro-2-hyd...)
Show SMILES CCN(C(COc1ccc(CC(O)=O)cc1)c1ccccc1)c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H24ClF6NO4/c1-2-35(22-13-10-19(15-21(22)28)25(38,26(29,30)31)27(32,33)34)23(18-6-4-3-5-7-18)16-39-20-11-8-17(9-12-20)14-24(36)37/h3-13,15,23,38H,2,14,16H2,1H3,(H,36,37)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to LXRalpha by radioligand displacement assay


Bioorg Med Chem Lett 16: 5231-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80
More data for this
Ligand-Target Pair
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