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PubMed code 19231176

Compile data set for download or QSAR
Found 48 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))
BDBM28154
PNG
(5-[(S)-(benzenesulfonyl)[(2R)-7-chloro-1H,2H,3H,4H...)
Show SMILES [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(c1nc(no1)N(C)C)S(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C22H20ClFN4O3S/c1-28(2)21-26-20(31-27-21)22(24,32(29,30)15-6-4-3-5-7-15)13-10-16-17-12-14(23)8-9-18(17)25-19(16)11-13/h3-9,12-13,25H,10-11H2,1-2H3/t13-,22+/m1/s1
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n/an/a 13n/a 120n/an/an/an/a



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM28138
PNG
(methyl (2S)-2-[(2R)-6-chloro-2,3,4,9-tetrahydro-1H...)
Show SMILES [H][C@]1(CCc2c(C1)[nH]c1ccc(Cl)cc21)[C@@](F)(C(=O)OC)S(=O)(=O)c1cccc(F)c1 |r|
Show InChI InChI=1S/C21H18ClF2NO4S/c1-29-20(26)21(24,30(27,28)15-4-2-3-14(23)11-15)12-5-7-16-17-10-13(22)6-8-18(17)25-19(16)9-12/h2-4,6,8,10-12,25H,5,7,9H2,1H3/t12-,21+/m1/s1
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n/an/a 21n/a 430n/an/an/an/a



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM28141
PNG
(methyl (2S)-2-[(2R)-7-chloro-1H,2H,3H,4H-cyclopent...)
Show SMILES [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(C(=O)OC)S(=O)(=O)c1cccc(F)c1 |r|
Show InChI InChI=1S/C20H16ClF2NO4S/c1-28-19(25)20(23,29(26,27)14-4-2-3-13(22)10-14)11-7-15-16-9-12(21)5-6-17(16)24-18(15)8-11/h2-6,9-11,24H,7-8H2,1H3/t11-,20+/m1/s1
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n/an/a 26n/a 360n/an/an/an/a



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM28152
PNG
(5-[(S)-(benzenesulfonyl)[(2R)-7-chloro-1H,2H,3H,4H...)
Show SMILES [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(c1nc(C)no1)S(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C21H17ClFN3O3S/c1-12-24-20(29-26-12)21(23,30(27,28)15-5-3-2-4-6-15)13-9-16-17-11-14(22)7-8-18(17)25-19(16)10-13/h2-8,11,13,25H,9-10H2,1H3/t13-,21+/m1/s1
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n/an/a 27n/a 210n/an/an/an/a



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM28154
PNG
(5-[(S)-(benzenesulfonyl)[(2R)-7-chloro-1H,2H,3H,4H...)
Show SMILES [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(c1nc(no1)N(C)C)S(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C22H20ClFN4O3S/c1-28(2)21-26-20(31-27-21)22(24,32(29,30)15-6-4-3-5-7-15)13-10-16-17-12-14(23)8-9-18(17)25-19(16)11-13/h3-9,12-13,25H,10-11H2,1-2H3/t13-,22+/m1/s1
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n/an/a 29n/a 370n/an/a7.422



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM28142
PNG
(methyl (2S)-2-[(3-bromobenzene)sulfonyl]-2-[(2R)-7...)
Show SMILES [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(C(=O)OC)S(=O)(=O)c1cccc(Br)c1 |r|
Show InChI InChI=1S/C20H16BrClFNO4S/c1-28-19(25)20(23,29(26,27)14-4-2-3-12(21)9-14)11-7-15-16-10-13(22)5-6-17(16)24-18(15)8-11/h2-6,9-11,24H,7-8H2,1H3/t11-,20+/m1/s1
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n/an/a 30n/a 150n/an/an/an/a



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM28137
PNG
(methyl (2S)-2-[(2R)-6-chloro-2,3,4,9-tetrahydro-1H...)
Show SMILES [H][C@]1(CCc2c(C1)[nH]c1ccc(Cl)cc21)[C@@](F)(C(=O)OC)S(=O)(=O)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C21H18Cl2FNO4S/c1-29-20(26)21(24,30(27,28)15-4-2-3-13(22)10-15)12-5-7-16-17-11-14(23)6-8-18(17)25-19(16)9-12/h2-4,6,8,10-12,25H,5,7,9H2,1H3/t12-,21+/m1/s1
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n/an/a 31n/a 1.81E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM28141
PNG
(methyl (2S)-2-[(2R)-7-chloro-1H,2H,3H,4H-cyclopent...)
Show SMILES [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(C(=O)OC)S(=O)(=O)c1cccc(F)c1 |r|
Show InChI InChI=1S/C20H16ClF2NO4S/c1-28-19(25)20(23,29(26,27)14-4-2-3-13(22)10-14)11-7-15-16-9-12(21)5-6-17(16)24-18(15)8-11/h2-6,9-11,24H,7-8H2,1H3/t11-,20+/m1/s1
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n/an/a 49n/a 1.35E+3n/an/a7.422



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM28139
PNG
(methyl (2S)-2-[(2R)-7-chloro-1H,2H,3H,4H-cyclopent...)
Show SMILES [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(C(=O)OC)S(=O)(=O)c1cccc(OC)c1 |r|
Show InChI InChI=1S/C21H19ClFNO5S/c1-28-14-4-3-5-15(11-14)30(26,27)21(23,20(25)29-2)12-8-16-17-10-13(22)6-7-18(17)24-19(16)9-12/h3-7,10-12,24H,8-9H2,1-2H3/t12-,21+/m1/s1
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n/an/a 56n/a 160n/an/an/an/a



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM28139
PNG
(methyl (2S)-2-[(2R)-7-chloro-1H,2H,3H,4H-cyclopent...)
Show SMILES [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(C(=O)OC)S(=O)(=O)c1cccc(OC)c1 |r|
Show InChI InChI=1S/C21H19ClFNO5S/c1-28-14-4-3-5-15(11-14)30(26,27)21(23,20(25)29-2)12-8-16-17-10-13(22)6-7-18(17)24-19(16)9-12/h3-7,10-12,24H,8-9H2,1-2H3/t12-,21+/m1/s1
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n/an/a 62n/a 1.07E+3n/an/a7.422



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM28149
PNG
(2-[(S)-(benzenesulfonyl)[(2R)-7-chloro-1H,2H,3H,4H...)
Show SMILES [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(c1nnc(C)o1)S(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C21H17ClFN3O3S/c1-12-25-26-20(29-12)21(23,30(27,28)15-5-3-2-4-6-15)13-9-16-17-11-14(22)7-8-18(17)24-19(16)10-13/h2-8,11,13,24H,9-10H2,1H3/t13-,21+/m1/s1
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n/an/a 65n/a 240n/an/an/an/a



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM28138
PNG
(methyl (2S)-2-[(2R)-6-chloro-2,3,4,9-tetrahydro-1H...)
Show SMILES [H][C@]1(CCc2c(C1)[nH]c1ccc(Cl)cc21)[C@@](F)(C(=O)OC)S(=O)(=O)c1cccc(F)c1 |r|
Show InChI InChI=1S/C21H18ClF2NO4S/c1-29-20(26)21(24,30(27,28)15-4-2-3-14(23)11-15)12-5-7-16-17-10-13(22)6-8-18(17)25-19(16)9-12/h2-4,6,8,10-12,25H,5,7,9H2,1H3/t12-,21+/m1/s1
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n/an/a 73n/a 1.39E+3n/an/a7.422



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM28150
PNG
(2-[(S)-(benzenesulfonyl)[(2R)-7-chloro-1H,2H,3H,4H...)
Show SMILES [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(c1nnc(o1)C1CC1)S(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C23H19ClFN3O3S/c24-15-8-9-19-18(12-15)17-10-14(11-20(17)26-19)23(25,22-28-27-21(31-22)13-6-7-13)32(29,30)16-4-2-1-3-5-16/h1-5,8-9,12-14,26H,6-7,10-11H2/t14-,23+/m1/s1
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n/an/a 83n/a 92n/an/an/an/a



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM28155
PNG
(5-[(S)-(benzenesulfonyl)[(2R)-7-chloro-1H,2H,3H,4H...)
Show SMILES [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(c1nc(no1)C#N)S(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C21H14ClFN4O3S/c22-13-6-7-17-16(10-13)15-8-12(9-18(15)25-17)21(23,20-26-19(11-24)27-30-20)31(28,29)14-4-2-1-3-5-14/h1-7,10,12,25H,8-9H2/t12-,21+/m1/s1
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n/an/a 100n/a 160n/an/a7.422



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM28142
PNG
(methyl (2S)-2-[(3-bromobenzene)sulfonyl]-2-[(2R)-7...)
Show SMILES [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(C(=O)OC)S(=O)(=O)c1cccc(Br)c1 |r|
Show InChI InChI=1S/C20H16BrClFNO4S/c1-28-19(25)20(23,29(26,27)14-4-2-3-12(21)9-14)11-7-15-16-10-13(22)5-6-17(16)24-18(15)8-11/h2-6,9-11,24H,7-8H2,1H3/t11-,20+/m1/s1
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n/an/a 100n/a 850n/an/a7.422



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM28137
PNG
(methyl (2S)-2-[(2R)-6-chloro-2,3,4,9-tetrahydro-1H...)
Show SMILES [H][C@]1(CCc2c(C1)[nH]c1ccc(Cl)cc21)[C@@](F)(C(=O)OC)S(=O)(=O)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C21H18Cl2FNO4S/c1-29-20(26)21(24,30(27,28)15-4-2-3-13(22)10-15)12-5-7-16-17-11-14(23)6-8-18(17)25-19(16)9-12/h2-4,6,8,10-12,25H,5,7,9H2,1H3/t12-,21+/m1/s1
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n/an/a 100n/a 2.17E+3n/an/a7.422



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM28151
PNG
(5-[(S)-(benzenesulfonyl)[(2R)-7-chloro-1H,2H,3H,4H...)
Show SMILES [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(c1nnc(o1)N(C)C)S(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C22H20ClFN4O3S/c1-28(2)21-27-26-20(31-21)22(24,32(29,30)15-6-4-3-5-7-15)13-10-16-17-12-14(23)8-9-18(17)25-19(16)11-13/h3-9,12-13,25H,10-11H2,1-2H3/t13-,22+/m1/s1
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n/an/a 150n/a 76n/an/an/an/a



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM28134
PNG
(methyl (2S)-2-[(2R)-6-chloro-2,3,4,9-tetrahydro-1H...)
Show SMILES [H][C@]1(CCc2c(C1)[nH]c1ccc(Cl)cc21)[C@@](C)(C(=O)OC)S(=O)(=O)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C22H21Cl2NO4S/c1-22(21(26)29-2,30(27,28)16-5-3-4-14(23)11-16)13-6-8-17-18-12-15(24)7-9-19(18)25-20(17)10-13/h3-5,7,9,11-13,25H,6,8,10H2,1-2H3/t13-,22+/m1/s1
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n/an/a 150n/a 1.70E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM28147
PNG
((2S)-2-(benzenesulfonyl)-2-[(2R)-7-chloro-1H,2H,3H...)
Show SMILES [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(C(=O)N(C)C)S(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C21H20ClFN2O3S/c1-25(2)20(26)21(23,29(27,28)15-6-4-3-5-7-15)13-10-16-17-12-14(22)8-9-18(17)24-19(16)11-13/h3-9,12-13,24H,10-11H2,1-2H3/t13-,21+/m1/s1
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n/an/a 170n/a 110n/an/an/an/a



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM28152
PNG
(5-[(S)-(benzenesulfonyl)[(2R)-7-chloro-1H,2H,3H,4H...)
Show SMILES [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(c1nc(C)no1)S(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C21H17ClFN3O3S/c1-12-24-20(29-26-12)21(23,30(27,28)15-5-3-2-4-6-15)13-9-16-17-11-14(22)7-8-18(17)25-19(16)10-13/h2-8,11,13,25H,9-10H2,1H3/t13-,21+/m1/s1
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n/an/a 210n/a 1.09E+3n/an/a7.422



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM28150
PNG
(2-[(S)-(benzenesulfonyl)[(2R)-7-chloro-1H,2H,3H,4H...)
Show SMILES [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(c1nnc(o1)C1CC1)S(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C23H19ClFN3O3S/c24-15-8-9-19-18(12-15)17-10-14(11-20(17)26-19)23(25,22-28-27-21(31-22)13-6-7-13)32(29,30)16-4-2-1-3-5-16/h1-5,8-9,12-14,26H,6-7,10-11H2/t14-,23+/m1/s1
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n/an/a 290n/a 430n/an/a7.422



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM28151
PNG
(5-[(S)-(benzenesulfonyl)[(2R)-7-chloro-1H,2H,3H,4H...)
Show SMILES [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(c1nnc(o1)N(C)C)S(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C22H20ClFN4O3S/c1-28(2)21-27-26-20(31-21)22(24,32(29,30)15-6-4-3-5-7-15)13-10-16-17-12-14(23)8-9-18(17)25-19(16)11-13/h3-9,12-13,25H,10-11H2,1-2H3/t13-,22+/m1/s1
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n/an/a 300n/a 890n/an/a7.422



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM28131
PNG
(methyl (2S)-2-(benzenesulfonyl)-2-[(2R)-7-chloro-1...)
Show SMILES [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](C)(C(=O)OC)S(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C21H20ClNO4S/c1-21(20(24)27-2,28(25,26)15-6-4-3-5-7-15)13-10-16-17-12-14(22)8-9-18(17)23-19(16)11-13/h3-9,12-13,23H,10-11H2,1-2H3/t13-,21+/m1/s1
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n/an/a 350n/a 250n/an/an/an/a



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM28145
PNG
(methyl (2S)-2-(benzenesulfonyl)-2-[(4R)-11-chloro-...)
Show SMILES [H][C@@]1(Cc2[nH]c3ccc(Cl)nc3c2C1)[C@@](F)(C(=O)OC)S(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C19H16ClFN2O4S/c1-27-18(24)19(21,28(25,26)12-5-3-2-4-6-12)11-9-13-15(10-11)22-14-7-8-16(20)23-17(13)14/h2-8,11,22H,9-10H2,1H3/t11-,19+/m1/s1
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n/an/a 400n/a 370n/an/an/an/a



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM28148
PNG
(2-[(S)-(benzenesulfonyl)[(2R)-7-chloro-1H,2H,3H,4H...)
Show SMILES [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(c1nnco1)S(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C20H15ClFN3O3S/c21-13-6-7-17-16(10-13)15-8-12(9-18(15)24-17)20(22,19-25-23-11-28-19)29(26,27)14-4-2-1-3-5-14/h1-7,10-12,24H,8-9H2/t12-,20+/m1/s1
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n/an/a 490n/a 170n/an/an/an/a



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM28143
PNG
(methyl (2S)-2-[(2R)-7-chloro-1H,2H,3H,4H-cyclopent...)
Show SMILES [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(C(=O)OC)S(=O)(=O)c1cccnc1 |r|
Show InChI InChI=1S/C19H16ClFN2O4S/c1-27-18(24)19(21,28(25,26)13-3-2-6-22-10-13)11-7-14-15-9-12(20)4-5-16(15)23-17(14)8-11/h2-6,9-11,23H,7-8H2,1H3/t11-,19+/m1/s1
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n/an/a 500n/a 340n/an/an/an/a



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM28135
PNG
(methyl (2S)-2-[(2R)-6-chloro-2,3,4,9-tetrahydro-1H...)
Show SMILES [H][C@]1(CCc2c(C1)[nH]c1ccc(Cl)cc21)[C@@](C)(C(=O)OC)S(=O)(=O)c1ccccc1Cl |r|
Show InChI InChI=1S/C22H21Cl2NO4S/c1-22(21(26)29-2,30(27,28)20-6-4-3-5-17(20)24)13-7-9-15-16-12-14(23)8-10-18(16)25-19(15)11-13/h3-6,8,10,12-13,25H,7,9,11H2,1-2H3/t13-,22+/m1/s1
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n/an/a 540n/a 2.08E+3n/an/a7.422



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM28140
PNG
(methyl (2S)-2-[(2R)-7-chloro-1H,2H,3H,4H-cyclopent...)
Show SMILES [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(C(=O)OC)S(=O)(=O)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C20H16Cl2FNO4S/c1-28-19(25)20(23,29(26,27)14-4-2-3-12(21)9-14)11-7-15-16-10-13(22)5-6-17(16)24-18(15)8-11/h2-6,9-11,24H,7-8H2,1H3/t11-,20+/m1/s1
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n/an/a 700n/a 190n/an/an/an/a



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM28135
PNG
(methyl (2S)-2-[(2R)-6-chloro-2,3,4,9-tetrahydro-1H...)
Show SMILES [H][C@]1(CCc2c(C1)[nH]c1ccc(Cl)cc21)[C@@](C)(C(=O)OC)S(=O)(=O)c1ccccc1Cl |r|
Show InChI InChI=1S/C22H21Cl2NO4S/c1-22(21(26)29-2,30(27,28)20-6-4-3-5-17(20)24)13-7-9-15-16-12-14(23)8-10-18(16)25-19(15)11-13/h3-6,8,10,12-13,25H,7,9,11H2,1-2H3/t13-,22+/m1/s1
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n/an/a 800n/a 1.53E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM28134
PNG
(methyl (2S)-2-[(2R)-6-chloro-2,3,4,9-tetrahydro-1H...)
Show SMILES [H][C@]1(CCc2c(C1)[nH]c1ccc(Cl)cc21)[C@@](C)(C(=O)OC)S(=O)(=O)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C22H21Cl2NO4S/c1-22(21(26)29-2,30(27,28)16-5-3-4-14(23)11-16)13-6-8-17-18-12-15(24)7-9-19(18)25-20(17)10-13/h3-5,7,9,11-13,25H,6,8,10H2,1-2H3/t13-,22+/m1/s1
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n/an/a 820n/a 2.18E+3n/an/a7.422



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM28149
PNG
(2-[(S)-(benzenesulfonyl)[(2R)-7-chloro-1H,2H,3H,4H...)
Show SMILES [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(c1nnc(C)o1)S(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C21H17ClFN3O3S/c1-12-25-26-20(29-12)21(23,30(27,28)15-5-3-2-4-6-15)13-9-16-17-11-14(22)7-8-18(17)24-19(16)10-13/h2-8,11,13,24H,9-10H2,1H3/t13-,21+/m1/s1
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n/an/a 920n/a 1.50E+3n/an/a7.422



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM28131
PNG
(methyl (2S)-2-(benzenesulfonyl)-2-[(2R)-7-chloro-1...)
Show SMILES [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](C)(C(=O)OC)S(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C21H20ClNO4S/c1-21(20(24)27-2,28(25,26)15-6-4-3-5-7-15)13-10-16-17-12-14(22)8-9-18(17)23-19(16)11-13/h3-9,12-13,23H,10-11H2,1-2H3/t13-,21+/m1/s1
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n/an/a 1.10E+3n/a 1.60E+3n/an/a7.422



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM28140
PNG
(methyl (2S)-2-[(2R)-7-chloro-1H,2H,3H,4H-cyclopent...)
Show SMILES [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(C(=O)OC)S(=O)(=O)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C20H16Cl2FNO4S/c1-28-19(25)20(23,29(26,27)14-4-2-3-12(21)9-14)11-7-15-16-10-13(22)5-6-17(16)24-18(15)8-11/h2-6,9-11,24H,7-8H2,1H3/t11-,20+/m1/s1
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n/an/a 1.21E+3n/a 840n/an/a7.422



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM28153
PNG
(methyl 5-[(S)-(benzenesulfonyl)[(2R)-7-chloro-1H,2...)
Show SMILES [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(c1nc(no1)C(=O)OC)S(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C22H17ClFN3O5S/c1-31-20(28)19-26-21(32-27-19)22(24,33(29,30)14-5-3-2-4-6-14)12-9-15-16-11-13(23)7-8-17(16)25-18(15)10-12/h2-8,11-12,25H,9-10H2,1H3/t12-,22+/m1/s1
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n/an/a 1.63E+3n/a 1.26E+3n/an/a7.422



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM28147
PNG
((2S)-2-(benzenesulfonyl)-2-[(2R)-7-chloro-1H,2H,3H...)
Show SMILES [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(C(=O)N(C)C)S(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C21H20ClFN2O3S/c1-25(2)20(26)21(23,29(27,28)15-6-4-3-5-7-15)13-10-16-17-12-14(22)8-9-18(17)24-19(16)11-13/h3-9,12-13,24H,10-11H2,1-2H3/t13-,21+/m1/s1
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n/an/a 1.79E+3n/a 1.09E+3n/an/a7.422



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM28136
PNG
(methyl (2S)-2-[(2R)-6-chloro-2,3,4,9-tetrahydro-1H...)
Show SMILES [H][C@]1(CCc2c(C1)[nH]c1ccc(Cl)cc21)[C@@](C)(C(=O)OC)S(=O)(=O)c1ccccc1OC |r|
Show InChI InChI=1S/C23H24ClNO5S/c1-23(22(26)30-3,31(27,28)21-7-5-4-6-20(21)29-2)14-8-10-16-17-13-15(24)9-11-18(17)25-19(16)12-14/h4-7,9,11,13-14,25H,8,10,12H2,1-3H3/t14-,23+/m1/s1
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n/an/a 2.25E+3n/a 2.30E+3n/an/a7.422



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM28148
PNG
(2-[(S)-(benzenesulfonyl)[(2R)-7-chloro-1H,2H,3H,4H...)
Show SMILES [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(c1nnco1)S(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C20H15ClFN3O3S/c21-13-6-7-17-16(10-13)15-8-12(9-18(15)24-17)20(22,19-25-23-11-28-19)29(26,27)14-4-2-1-3-5-14/h1-7,10-12,24H,8-9H2/t12-,20+/m1/s1
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n/an/a 2.30E+3n/a 770n/an/a7.422



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM28145
PNG
(methyl (2S)-2-(benzenesulfonyl)-2-[(4R)-11-chloro-...)
Show SMILES [H][C@@]1(Cc2[nH]c3ccc(Cl)nc3c2C1)[C@@](F)(C(=O)OC)S(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C19H16ClFN2O4S/c1-27-18(24)19(21,28(25,26)12-5-3-2-4-6-12)11-9-13-15(10-11)22-14-7-8-16(20)23-17(13)14/h2-8,11,22H,9-10H2,1H3/t11-,19+/m1/s1
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n/an/a 2.58E+3n/a 4.23E+3n/an/a7.422



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM28146
PNG
((2S)-2-(benzenesulfonyl)-2-[(2R)-7-chloro-1H,2H,3H...)
Show SMILES [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(C(=O)NC)S(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C20H18ClFN2O3S/c1-23-19(25)20(22,28(26,27)14-5-3-2-4-6-14)12-9-15-16-11-13(21)7-8-17(16)24-18(15)10-12/h2-8,11-12,24H,9-10H2,1H3,(H,23,25)/t12-,20+/m1/s1
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n/an/a 2.70E+3n/a 1.55E+3n/an/a7.422



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM28132
PNG
(methyl (2S)-2-[(2R)-6-chloro-2,3,4,9-tetrahydro-1H...)
Show SMILES [H][C@]1(CCc2c(C1)[nH]c1ccc(Cl)cc21)[C@@](C)(C(=O)OC)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C22H21ClFNO4S/c1-22(21(26)29-2,30(27,28)16-7-5-15(24)6-8-16)13-3-9-17-18-12-14(23)4-10-19(18)25-20(17)11-13/h4-8,10,12-13,25H,3,9,11H2,1-2H3/t13-,22+/m1/s1
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n/an/a 3.30E+3n/a 370n/an/an/an/a



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM28132
PNG
(methyl (2S)-2-[(2R)-6-chloro-2,3,4,9-tetrahydro-1H...)
Show SMILES [H][C@]1(CCc2c(C1)[nH]c1ccc(Cl)cc21)[C@@](C)(C(=O)OC)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C22H21ClFNO4S/c1-22(21(26)29-2,30(27,28)16-7-5-15(24)6-8-16)13-3-9-17-18-12-14(23)4-10-19(18)25-20(17)11-13/h4-8,10,12-13,25H,3,9,11H2,1-2H3/t13-,22+/m1/s1
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n/an/a 3.30E+3n/a 5.81E+3n/an/a7.422



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM28136
PNG
(methyl (2S)-2-[(2R)-6-chloro-2,3,4,9-tetrahydro-1H...)
Show SMILES [H][C@]1(CCc2c(C1)[nH]c1ccc(Cl)cc21)[C@@](C)(C(=O)OC)S(=O)(=O)c1ccccc1OC |r|
Show InChI InChI=1S/C23H24ClNO5S/c1-23(22(26)30-3,31(27,28)21-7-5-4-6-20(21)29-2)14-8-10-16-17-13-15(24)9-11-18(17)25-19(16)12-14/h4-7,9,11,13-14,25H,8,10,12H2,1-3H3/t14-,23+/m1/s1
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n/an/a 3.42E+3n/a 3.16E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM28146
PNG
((2S)-2-(benzenesulfonyl)-2-[(2R)-7-chloro-1H,2H,3H...)
Show SMILES [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(C(=O)NC)S(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C20H18ClFN2O3S/c1-23-19(25)20(22,28(26,27)14-5-3-2-4-6-14)12-9-15-16-11-13(21)7-8-17(16)24-18(15)10-12/h2-8,11-12,24H,9-10H2,1H3,(H,23,25)/t12-,20+/m1/s1
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n/an/a 3.87E+3n/a 400n/an/an/an/a



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM28144
PNG
(methyl (2S)-2-[(2R)-7-chloro-1H,2H,3H,4H-cyclopent...)
Show SMILES [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(C(=O)OC)S(=O)(=O)c1ccccn1 |r|
Show InChI InChI=1S/C19H16ClFN2O4S/c1-27-18(24)19(21,28(25,26)17-4-2-3-7-22-17)11-8-13-14-10-12(20)5-6-15(14)23-16(13)9-11/h2-7,10-11,23H,8-9H2,1H3/t11-,19+/m1/s1
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n/an/a 3.95E+3n/a 270n/an/an/an/a



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM28144
PNG
(methyl (2S)-2-[(2R)-7-chloro-1H,2H,3H,4H-cyclopent...)
Show SMILES [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(C(=O)OC)S(=O)(=O)c1ccccn1 |r|
Show InChI InChI=1S/C19H16ClFN2O4S/c1-27-18(24)19(21,28(25,26)17-4-2-3-7-22-17)11-8-13-14-10-12(20)5-6-15(14)23-16(13)9-11/h2-7,10-11,23H,8-9H2,1H3/t11-,19+/m1/s1
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n/an/a 1.22E+4n/a 2.75E+3n/an/a7.422



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM28143
PNG
(methyl (2S)-2-[(2R)-7-chloro-1H,2H,3H,4H-cyclopent...)
Show SMILES [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(C(=O)OC)S(=O)(=O)c1cccnc1 |r|
Show InChI InChI=1S/C19H16ClFN2O4S/c1-27-18(24)19(21,28(25,26)13-3-2-6-22-10-13)11-7-14-15-9-12(20)4-5-16(15)23-17(14)8-11/h2-6,9-11,23H,7-8H2,1H3/t11-,19+/m1/s1
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n/an/a 2.00E+4n/a 1.07E+3n/an/a7.422



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM28133
PNG
(methyl (2S)-2-[(2R)-6-chloro-2,3,4,9-tetrahydro-1H...)
Show SMILES [H][C@]1(CCc2c(C1)[nH]c1ccc(Cl)cc21)[C@@](C)(C(=O)OC)S(=O)(=O)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C22H20Cl3NO4S/c1-22(21(27)30-2,31(28,29)14-5-7-17(24)18(25)11-14)12-3-6-15-16-10-13(23)4-8-19(16)26-20(15)9-12/h4-5,7-8,10-12,26H,3,6,9H2,1-2H3/t12-,22+/m1/s1
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n/an/a 3.12E+4n/a>4.00E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM28133
PNG
(methyl (2S)-2-[(2R)-6-chloro-2,3,4,9-tetrahydro-1H...)
Show SMILES [H][C@]1(CCc2c(C1)[nH]c1ccc(Cl)cc21)[C@@](C)(C(=O)OC)S(=O)(=O)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C22H20Cl3NO4S/c1-22(21(27)30-2,31(28,29)14-5-7-17(24)18(25)11-14)12-3-6-15-16-10-13(23)4-8-19(16)26-20(15)9-12/h4-5,7-8,10-12,26H,3,6,9H2,1-2H3/t12-,22+/m1/s1
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n/an/a 8.79E+4n/a 5.80E+3n/an/a7.422



F. Hoffmann-La Roche Ltd



Assay Description
LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...


Bioorg Med Chem Lett 19: 1654-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.109
BindingDB Entry DOI: 10.7270/Q2BK19PN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%