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9 similar compounds to monomer 50306066

Compile data set for download or QSAR
Wt: 474.4
BDBM50306070
Wt: 446.4
BDBM50306028
Wt: 460.4
BDBM50306058
Wt: 474.4
BDBM50306060
Wt: 474.4
BDBM50306062
Wt: 490.4
BDBM50306063
Wt: 464.4
BDBM50306065
Wt: 500.4
BDBM50306068
Wt: 460.4
BDBM50306069

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 50306070,50306028,50306058,50306060,50306062,50306063,50306065,50306068,50306069   
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
Oxysterols receptor LXR-beta


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


(Homo sapiens (Human))
BDBM50306028
PNG
(2-methyl-1-(3-(3-(methylsulfonyl)phenoxy)phenyl)-4...)
Show SMILES Cc1nc2c(cccc2n1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1)C(F)(F)F
Show InChI InChI=1S/C22H17F3N2O3S/c1-14-26-21-19(22(23,24)25)10-5-11-20(21)27(14)15-6-3-7-16(12-15)30-17-8-4-9-18(13-17)31(2,28)29/h3-13H,1-2H3
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n/an/an/an/a 162n/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
Oxysterols receptor LXR-beta


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


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


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


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


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


(Homo sapiens (Human))
BDBM50306062
PNG
(2-methyl-1-(3-(3-(propylsulfonyl)phenoxy)phenyl)-4...)
Show SMILES CCCS(=O)(=O)c1cccc(Oc2cccc(c2)-n2c(C)nc3c(cccc23)C(F)(F)F)c1
Show InChI InChI=1S/C24H21F3N2O3S/c1-3-13-33(30,31)20-10-5-9-19(15-20)32-18-8-4-7-17(14-18)29-16(2)28-23-21(24(25,26)27)11-6-12-22(23)29/h4-12,14-15H,3,13H2,1-2H3
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n/an/a 462n/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
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50306058
PNG
(1-(3-(3-(ethylsulfonyl)phenoxy)phenyl)-2-methyl-4-...)
Show SMILES CCS(=O)(=O)c1cccc(Oc2cccc(c2)-n2c(C)nc3c(cccc23)C(F)(F)F)c1
Show InChI InChI=1S/C23H19F3N2O3S/c1-3-32(29,30)19-10-5-9-18(14-19)31-17-8-4-7-16(13-17)28-15(2)27-22-20(23(24,25)26)11-6-12-21(22)28/h4-14H,3H2,1-2H3
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n/an/a 128n/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
Oxysterols receptor LXR-alpha


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



Wyeth Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 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
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50306028
PNG
(2-methyl-1-(3-(3-(methylsulfonyl)phenoxy)phenyl)-4...)
Show SMILES Cc1nc2c(cccc2n1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1)C(F)(F)F
Show InChI InChI=1S/C22H17F3N2O3S/c1-14-26-21-19(22(23,24)25)10-5-11-20(21)27(14)15-6-3-7-16(12-15)30-17-8-4-9-18(13-17)31(2,28)29/h3-13H,1-2H3
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n/an/a 128n/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
Oxysterols receptor LXR-beta


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


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



Wyeth Pharmaceuticals

Curated by ChEMBL


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


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


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


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



Wyeth Pharmaceuticals

Curated by ChEMBL


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


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


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


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



Wyeth Pharmaceuticals

Curated by ChEMBL


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


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


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


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

Curated by ChEMBL


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


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


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


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


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


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



Wyeth Pharmaceuticals

Curated by ChEMBL


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


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


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


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



Wyeth Pharmaceuticals

Curated by ChEMBL


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


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


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


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



Wyeth Pharmaceuticals

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50306028
PNG
(2-methyl-1-(3-(3-(methylsulfonyl)phenoxy)phenyl)-4...)
Show SMILES Cc1nc2c(cccc2n1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1)C(F)(F)F
Show InChI InChI=1S/C22H17F3N2O3S/c1-14-26-21-19(22(23,24)25)10-5-11-20(21)27(14)15-6-3-7-16(12-15)30-17-8-4-9-18(13-17)31(2,28)29/h3-13H,1-2H3
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n/an/a 111n/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