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11 similar compounds to monomer 50305059

Compile data set for download or QSAR
Wt: 520.9
BDBM50305494
Wt: 472.4
BDBM50305497
Wt: 468.4
BDBM50305499
Wt: 487.4
BDBM50305061
Wt: 499.5
BDBM50305066
Wt: 485.5
BDBM50305068
Wt: 485.5
BDBM50305069
Wt: 471.4
BDBM50305070
Wt: 443.4
BDBM50305074
Wt: 457.4
BDBM50305077
Wt: 457.4
BDBM50305078

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 36 hits for monomerid = 50305494,50305497,50305499,50305061,50305066,50305068,50305069,50305070,50305074,50305077,50305078   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50305077
PNG
(3-methyl-4-(3-(3-(methylsulfonyl)phenoxy)phenyl)-8...)
Show SMILES Cc1cnc2c(cccc2c1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1)C(F)(F)F
Show InChI InChI=1S/C24H18F3NO3S/c1-15-14-28-23-20(10-5-11-21(23)24(25,26)27)22(15)16-6-3-7-17(12-16)31-18-8-4-9-19(13-18)32(2,29)30/h3-14H,1-2H3
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n/an/a 2.40n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 209-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.132
BindingDB Entry DOI: 10.7270/Q2KW5G4B
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50305077
PNG
(3-methyl-4-(3-(3-(methylsulfonyl)phenoxy)phenyl)-8...)
Show SMILES Cc1cnc2c(cccc2c1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1)C(F)(F)F
Show InChI InChI=1S/C24H18F3NO3S/c1-15-14-28-23-20(10-5-11-21(23)24(25,26)27)22(15)16-6-3-7-17(12-16)31-18-8-4-9-19(13-18)32(2,29)30/h3-14H,1-2H3
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n/an/an/an/a 31n/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 521-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.098
BindingDB Entry DOI: 10.7270/Q27D2W3S
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50305061
PNG
(4-(3-(4-methoxy-3-(methylsulfonyl)phenoxy)phenyl)-...)
Show SMILES COc1ccc(Oc2cccc(c2)-c2c(C)cnc3c(cccc23)C(F)(F)F)cc1S(C)(=O)=O
Show InChI InChI=1S/C25H20F3NO4S/c1-15-14-29-24-19(8-5-9-20(24)25(26,27)28)23(15)16-6-4-7-17(12-16)33-18-10-11-21(32-2)22(13-18)34(3,30)31/h4-14H,1-3H3
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n/an/a 56n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 209-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.132
BindingDB Entry DOI: 10.7270/Q2KW5G4B
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50305066
PNG
(4-(3-(3-(isobutylsulfonyl)phenoxy)phenyl)-3-methyl...)
Show SMILES CC(C)CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(C)cnc3c(cccc23)C(F)(F)F)c1
Show InChI InChI=1S/C27H24F3NO3S/c1-17(2)16-35(32,33)22-10-5-9-21(14-22)34-20-8-4-7-19(13-20)25-18(3)15-31-26-23(25)11-6-12-24(26)27(28,29)30/h4-15,17H,16H2,1-3H3
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n/an/a 61n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 209-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.132
BindingDB Entry DOI: 10.7270/Q2KW5G4B
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50305069
PNG
(3-methyl-4-(3-(3-(propylsulfonyl)phenoxy)phenyl)-8...)
Show SMILES CCCS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(C)cnc3c(cccc23)C(F)(F)F)c1
Show InChI InChI=1S/C26H22F3NO3S/c1-3-13-34(31,32)21-10-5-9-20(15-21)33-19-8-4-7-18(14-19)24-17(2)16-30-25-22(24)11-6-12-23(25)26(27,28)29/h4-12,14-16H,3,13H2,1-2H3
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n/an/a 23n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 209-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.132
BindingDB Entry DOI: 10.7270/Q2KW5G4B
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50305068
PNG
(4-(3-(3-(isopropylsulfonyl)phenoxy)phenyl)-3-methy...)
Show SMILES CC(C)S(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(C)cnc3c(cccc23)C(F)(F)F)c1
Show InChI InChI=1S/C26H22F3NO3S/c1-16(2)34(31,32)21-10-5-9-20(14-21)33-19-8-4-7-18(13-19)24-17(3)15-30-25-22(24)11-6-12-23(25)26(27,28)29/h4-16H,1-3H3
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n/an/a 7.90n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 209-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.132
BindingDB Entry DOI: 10.7270/Q2KW5G4B
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50305070
PNG
(4-(3-(3-(ethylsulfonyl)phenoxy)phenyl)-3-methyl-8-...)
Show SMILES CCS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(C)cnc3c(cccc23)C(F)(F)F)c1
Show InChI InChI=1S/C25H20F3NO3S/c1-3-33(30,31)20-10-5-9-19(14-20)32-18-8-4-7-17(13-18)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 6.10n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 209-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.132
BindingDB Entry DOI: 10.7270/Q2KW5G4B
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50305074
PNG
(4-(3-(3-(methylsulfonyl)phenoxy)phenyl)-8-(trifluo...)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2ccnc3c(cccc23)C(F)(F)F)c1
Show InChI InChI=1S/C23H16F3NO3S/c1-31(28,29)18-8-3-7-17(14-18)30-16-6-2-5-15(13-16)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 40n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 209-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.132
BindingDB Entry DOI: 10.7270/Q2KW5G4B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Liver X receptor (LXR alpha AND 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
Liver X receptor (LXR alpha AND 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
Liver X receptor (LXR alpha AND 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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50305077
PNG
(3-methyl-4-(3-(3-(methylsulfonyl)phenoxy)phenyl)-8...)
Show SMILES Cc1cnc2c(cccc2c1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1)C(F)(F)F
Show InChI InChI=1S/C24H18F3NO3S/c1-15-14-28-23-20(10-5-11-21(23)24(25,26)27)22(15)16-6-3-7-17(12-16)31-18-8-4-9-19(13-18)32(2,29)30/h3-14H,1-2H3
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n/an/a 1n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50305077
PNG
(3-methyl-4-(3-(3-(methylsulfonyl)phenoxy)phenyl)-8...)
Show SMILES Cc1cnc2c(cccc2c1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1)C(F)(F)F
Show InChI InChI=1S/C24H18F3NO3S/c1-15-14-28-23-20(10-5-11-21(23)24(25,26)27)22(15)16-6-3-7-17(12-16)31-18-8-4-9-19(13-18)32(2,29)30/h3-14H,1-2H3
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n/an/a 2.40n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
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/an/an/a 1.09E+4n/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human LXRalpha in HEK293 cells assessed as Gal4 transactivation


J Med Chem 53: 3296-304 (2010)


Article DOI: 10.1021/jm100034x
BindingDB Entry DOI: 10.7270/Q29W0FN8
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND 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 61n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


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


J Med Chem 53: 3296-304 (2010)


Article DOI: 10.1021/jm100034x
BindingDB Entry DOI: 10.7270/Q29W0FN8
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND 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/an/an/a 460n/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human LXRbeta in HEK293 cells assessed as Gal4 transactivation


J Med Chem 53: 3296-304 (2010)


Article DOI: 10.1021/jm100034x
BindingDB Entry DOI: 10.7270/Q29W0FN8
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND 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/an/an/a 1.70E+3n/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant LXRbeta ligand binding domain in human HuH7 cells cotransfected with fused Gal4-DBD by transactivation assay


J Med Chem 53: 3296-304 (2010)


Article DOI: 10.1021/jm100034x
BindingDB Entry DOI: 10.7270/Q29W0FN8
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND 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/an/an/a 5.10E+3n/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant LXRalpha ligand binding domain in human HuH7 cells cotransfected with fused Gal4-DBD by transactivation assay


J Med Chem 53: 3296-304 (2010)


Article DOI: 10.1021/jm100034x
BindingDB Entry DOI: 10.7270/Q29W0FN8
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50305077
PNG
(3-methyl-4-(3-(3-(methylsulfonyl)phenoxy)phenyl)-8...)
Show SMILES Cc1cnc2c(cccc2c1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1)C(F)(F)F
Show InChI InChI=1S/C24H18F3NO3S/c1-15-14-28-23-20(10-5-11-21(23)24(25,26)27)22(15)16-6-3-7-17(12-16)31-18-8-4-9-19(13-18)32(2,29)30/h3-14H,1-2H3
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n/an/a 1n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 521-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.098
BindingDB Entry DOI: 10.7270/Q27D2W3S
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50305077
PNG
(3-methyl-4-(3-(3-(methylsulfonyl)phenoxy)phenyl)-8...)
Show SMILES Cc1cnc2c(cccc2c1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1)C(F)(F)F
Show InChI InChI=1S/C24H18F3NO3S/c1-15-14-28-23-20(10-5-11-21(23)24(25,26)27)22(15)16-6-3-7-17(12-16)31-18-8-4-9-19(13-18)32(2,29)30/h3-14H,1-2H3
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n/an/a 2.40n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 521-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.098
BindingDB Entry DOI: 10.7270/Q27D2W3S
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50305077
PNG
(3-methyl-4-(3-(3-(methylsulfonyl)phenoxy)phenyl)-8...)
Show SMILES Cc1cnc2c(cccc2c1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1)C(F)(F)F
Show InChI InChI=1S/C24H18F3NO3S/c1-15-14-28-23-20(10-5-11-21(23)24(25,26)27)22(15)16-6-3-7-17(12-16)31-18-8-4-9-19(13-18)32(2,29)30/h3-14H,1-2H3
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n/an/an/an/a 183n/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human Gal4-LBD fused LXRbeta LBD expressed in Huh7 cells by transient transactivation assay


Bioorg Med Chem Lett 20: 521-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.098
BindingDB Entry DOI: 10.7270/Q27D2W3S
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50305077
PNG
(3-methyl-4-(3-(3-(methylsulfonyl)phenoxy)phenyl)-8...)
Show SMILES Cc1cnc2c(cccc2c1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1)C(F)(F)F
Show InChI InChI=1S/C24H18F3NO3S/c1-15-14-28-23-20(10-5-11-21(23)24(25,26)27)22(15)16-6-3-7-17(12-16)31-18-8-4-9-19(13-18)32(2,29)30/h3-14H,1-2H3
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n/an/a 1n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50305061
PNG
(4-(3-(4-methoxy-3-(methylsulfonyl)phenoxy)phenyl)-...)
Show SMILES COc1ccc(Oc2cccc(c2)-c2c(C)cnc3c(cccc23)C(F)(F)F)cc1S(C)(=O)=O
Show InChI InChI=1S/C25H20F3NO4S/c1-15-14-29-24-19(8-5-9-20(24)25(26,27)28)23(15)16-6-4-7-17(12-16)33-18-10-11-21(32-2)22(13-18)34(3,30)31/h4-14H,1-3H3
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n/an/a 8.20n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 209-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.132
BindingDB Entry DOI: 10.7270/Q2KW5G4B
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50305066
PNG
(4-(3-(3-(isobutylsulfonyl)phenoxy)phenyl)-3-methyl...)
Show SMILES CC(C)CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(C)cnc3c(cccc23)C(F)(F)F)c1
Show InChI InChI=1S/C27H24F3NO3S/c1-17(2)16-35(32,33)22-10-5-9-21(14-22)34-20-8-4-7-19(13-20)25-18(3)15-31-26-23(25)11-6-12-24(26)27(28,29)30/h4-15,17H,16H2,1-3H3
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n/an/a 8.10n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 209-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.132
BindingDB Entry DOI: 10.7270/Q2KW5G4B
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50305068
PNG
(4-(3-(3-(isopropylsulfonyl)phenoxy)phenyl)-3-methy...)
Show SMILES CC(C)S(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(C)cnc3c(cccc23)C(F)(F)F)c1
Show InChI InChI=1S/C26H22F3NO3S/c1-16(2)34(31,32)21-10-5-9-20(14-21)33-19-8-4-7-18(13-19)24-17(3)15-30-25-22(24)11-6-12-23(25)26(27,28)29/h4-16H,1-3H3
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n/an/a 1.80n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 209-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.132
BindingDB Entry DOI: 10.7270/Q2KW5G4B
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50305069
PNG
(3-methyl-4-(3-(3-(propylsulfonyl)phenoxy)phenyl)-8...)
Show SMILES CCCS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(C)cnc3c(cccc23)C(F)(F)F)c1
Show InChI InChI=1S/C26H22F3NO3S/c1-3-13-34(31,32)21-10-5-9-20(15-21)33-19-8-4-7-18(14-19)24-17(2)16-30-25-22(24)11-6-12-23(25)26(27,28)29/h4-12,14-16H,3,13H2,1-2H3
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n/an/a 2.60n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 209-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.132
BindingDB Entry DOI: 10.7270/Q2KW5G4B
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50305070
PNG
(4-(3-(3-(ethylsulfonyl)phenoxy)phenyl)-3-methyl-8-...)
Show SMILES CCS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(C)cnc3c(cccc23)C(F)(F)F)c1
Show InChI InChI=1S/C25H20F3NO3S/c1-3-33(30,31)20-10-5-9-19(14-20)32-18-8-4-7-17(13-18)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 1.60n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 209-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.132
BindingDB Entry DOI: 10.7270/Q2KW5G4B
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50305074
PNG
(4-(3-(3-(methylsulfonyl)phenoxy)phenyl)-8-(trifluo...)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2ccnc3c(cccc23)C(F)(F)F)c1
Show InChI InChI=1S/C23H16F3NO3S/c1-31(28,29)18-8-3-7-17(14-18)30-16-6-2-5-15(13-16)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 2.80n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 209-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.132
BindingDB Entry DOI: 10.7270/Q2KW5G4B
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50305077
PNG
(3-methyl-4-(3-(3-(methylsulfonyl)phenoxy)phenyl)-8...)
Show SMILES Cc1cnc2c(cccc2c1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1)C(F)(F)F
Show InChI InChI=1S/C24H18F3NO3S/c1-15-14-28-23-20(10-5-11-21(23)24(25,26)27)22(15)16-6-3-7-17(12-16)31-18-8-4-9-19(13-18)32(2,29)30/h3-14H,1-2H3
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n/an/a 1n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 209-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.132
BindingDB Entry DOI: 10.7270/Q2KW5G4B
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50305078
PNG
(3-methyl-4-(3-(4-(methylsulfonyl)phenoxy)phenyl)-8...)
Show SMILES Cc1cnc2c(cccc2c1-c1cccc(Oc2ccc(cc2)S(C)(=O)=O)c1)C(F)(F)F
Show InChI InChI=1S/C24H18F3NO3S/c1-15-14-28-23-20(7-4-8-21(23)24(25,26)27)22(15)16-5-3-6-18(13-16)31-17-9-11-19(12-10-17)32(2,29)30/h3-14H,1-2H3
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n/an/a 42n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 209-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.132
BindingDB Entry DOI: 10.7270/Q2KW5G4B
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND 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 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
Liver X receptor (LXR alpha AND 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 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
Liver X receptor (LXR alpha AND 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 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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50305077
PNG
(3-methyl-4-(3-(3-(methylsulfonyl)phenoxy)phenyl)-8...)
Show SMILES Cc1cnc2c(cccc2c1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1)C(F)(F)F
Show InChI InChI=1S/C24H18F3NO3S/c1-15-14-28-23-20(10-5-11-21(23)24(25,26)27)22(15)16-6-3-7-17(12-16)31-18-8-4-9-19(13-18)32(2,29)30/h3-14H,1-2H3
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n/an/a 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
Liver X receptor (LXR alpha AND 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 1.77E+3n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


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


J Med Chem 53: 3296-304 (2010)


Article DOI: 10.1021/jm100034x
BindingDB Entry DOI: 10.7270/Q29W0FN8
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50305078
PNG
(3-methyl-4-(3-(4-(methylsulfonyl)phenoxy)phenyl)-8...)
Show SMILES Cc1cnc2c(cccc2c1-c1cccc(Oc2ccc(cc2)S(C)(=O)=O)c1)C(F)(F)F
Show InChI InChI=1S/C24H18F3NO3S/c1-15-14-28-23-20(7-4-8-21(23)24(25,26)27)22(15)16-5-3-6-18(13-16)31-17-9-11-19(12-10-17)32(2,29)30/h3-14H,1-2H3
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n/an/a 153n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 209-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.132
BindingDB Entry DOI: 10.7270/Q2KW5G4B
More data for this
Ligand-Target Pair