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Compile Data Set for Download or QSAR

Found 102 hits Enz. Inhib. hit(s) with all data for entry = 50039037   
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-alpha


(Homo sapiens (Human))
BDBM50378590
PNG
(CHEMBL611735)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(Cc3ccccc3)nc3c(cccn23)C(F)(F)F)c1
Show InChI InChI=1S/C28H21F3N2O3S/c1-37(34,35)23-13-6-12-22(18-23)36-21-11-5-10-20(17-21)26-25(16-19-8-3-2-4-9-19)32-27-24(28(29,30)31)14-7-15-33(26)27/h2-15,17-18H,16H2,1H3
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n/an/a 0.810n/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-alpha


(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
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50378593
PNG
(CHEMBL612007)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(CN3CCSC3)nc3c(cccn23)C(F)(F)F)c1
Show InChI InChI=1S/C25H22F3N3O3S2/c1-36(32,33)20-8-3-7-19(14-20)34-18-6-2-5-17(13-18)23-22(15-30-11-12-35-16-30)29-24-21(25(26,27)28)9-4-10-31(23)24/h2-10,13-14H,11-12,15-16H2,1H3
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n/an/a 2n/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))
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
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50378587
PNG
(CHEMBL611466)
Show SMILES CC(C)c1nc2c(cccn2c1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1)C(F)(F)F
Show InChI InChI=1S/C24H21F3N2O3S/c1-15(2)21-22(29-12-6-11-20(23(29)28-21)24(25,26)27)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 3.5n/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))
BDBM50378590
PNG
(CHEMBL611735)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(Cc3ccccc3)nc3c(cccn23)C(F)(F)F)c1
Show InChI InChI=1S/C28H21F3N2O3S/c1-37(34,35)23-13-6-12-22(18-23)36-21-11-5-10-20(17-21)26-25(16-19-8-3-2-4-9-19)32-27-24(28(29,30)31)14-7-15-33(26)27/h2-15,17-18H,16H2,1H3
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n/an/a 5.90n/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: 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))
BDBM50378588
PNG
(CHEMBL611467)
Show SMILES CC(C)(C)c1nc2c(cccn2c1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1)C(F)(F)F
Show InChI InChI=1S/C25H23F3N2O3S/c1-24(2,3)22-21(30-13-7-12-20(23(30)29-22)25(26,27)28)16-8-5-9-17(14-16)33-18-10-6-11-19(15-18)34(4,31)32/h5-15H,1-4H3
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n/an/a 6.5n/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-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-alpha


(Homo sapiens (Human))
BDBM50378589
PNG
(CHEMBL611734)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(nc3c(cccn23)C(F)(F)F)-c2ccccc2)c1
Show InChI InChI=1S/C27H19F3N2O3S/c1-36(33,34)22-13-6-12-21(17-22)35-20-11-5-10-19(16-20)25-24(18-8-3-2-4-9-18)31-26-23(27(28,29)30)14-7-15-32(25)26/h2-17H,1H3
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n/an/a 7.20n/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: 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))
BDBM50306020
PNG
(3-(3-(8-chloro-2-isopropylimidazo[1,2-a]pyridin-3-...)
Show SMILES CNS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(nc3c(Cl)cccn23)C(C)C)c1
Show InChI InChI=1S/C23H22ClN3O3S/c1-15(2)21-22(27-12-6-11-20(24)23(27)26-21)16-7-4-8-17(13-16)30-18-9-5-10-19(14-18)31(28,29)25-3/h4-15,25H,1-3H3
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n/an/a 7.5n/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-alpha


(Homo sapiens (Human))
BDBM19993
PNG
(CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2
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n/an/a 9n/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
3D
3D Structure (crystal)
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50378593
PNG
(CHEMBL612007)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(CN3CCSC3)nc3c(cccn23)C(F)(F)F)c1
Show InChI InChI=1S/C25H22F3N3O3S2/c1-36(32,33)20-8-3-7-19(14-20)34-18-6-2-5-17(13-18)23-22(15-30-11-12-35-16-30)29-24-21(25(26,27)28)9-4-10-31(23)24/h2-10,13-14H,11-12,15-16H2,1H3
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n/an/a 9n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from 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-alpha


(Homo sapiens (Human))
BDBM50306041
PNG
(8-chloro-2-isopropyl-3-(3-(3-(methylsulfonyl)pheno...)
Show SMILES CC(C)c1nc2c(Cl)cccn2c1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1
Show InChI InChI=1S/C23H21ClN2O3S/c1-15(2)21-22(26-12-6-11-20(24)23(26)25-21)16-7-4-8-17(13-16)29-18-9-5-10-19(14-18)30(3,27)28/h4-15H,1-3H3
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n/an/a 10n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from 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))
BDBM19993
PNG
(CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2
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n/an/a 13n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from 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
3D
3D Structure (crystal)
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50378586
PNG
(CHEMBL611465)
Show SMILES CCc1nc2c(cccn2c1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1)C(F)(F)F
Show InChI InChI=1S/C23H19F3N2O3S/c1-3-20-21(28-12-6-11-19(22(28)27-20)23(24,25)26)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 14n/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-alpha


(Homo sapiens (Human))
BDBM50306046
PNG
(3-(3-(8-chloro-2-isopropylimidazo[1,2-a]pyridin-3-...)
Show SMILES COc1ccc(CN(C)S(=O)(=O)c2cccc(Oc3cccc(c3)-c3c(nc4c(Cl)cccn34)C(C)C)c2)cc1
Show InChI InChI=1S/C31H30ClN3O4S/c1-21(2)29-30(35-17-7-12-28(32)31(35)33-29)23-8-5-9-25(18-23)39-26-10-6-11-27(19-26)40(36,37)34(3)20-22-13-15-24(38-4)16-14-22/h5-19,21H,20H2,1-4H3
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n/an/a 24n/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-alpha


(Homo sapiens (Human))
BDBM50378594
PNG
(CHEMBL608531)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(nc3c(cccn23)C(F)(F)F)-n2ccnc2)c1
Show InChI InChI=1S/C24H17F3N4O3S/c1-35(32,33)19-8-3-7-18(14-19)34-17-6-2-5-16(13-17)21-23(30-12-10-28-15-30)29-22-20(24(25,26)27)9-4-11-31(21)22/h2-15H,1H3
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n/an/a 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: 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))
BDBM50306030
PNG
(3-(3-(3-(ethylsulfonyl)phenoxy)phenyl)-2-methyl-8-...)
Show SMILES CCS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(C)nc3c(cccn23)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)21-15(2)27-22-20(23(24,25)26)11-6-12-28(21)22/h4-14H,3H2,1-2H3
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n/an/a 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: 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))
BDBM50306031
PNG
(3-(3-(3-(isopropylsulfonyl)phenoxy)phenyl)-2-methy...)
Show SMILES CC(C)S(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(C)nc3c(cccn23)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)22-16(3)28-23-21(24(25,26)27)11-6-12-29(22)23/h4-15H,1-3H3
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n/an/a 33n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from 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-alpha


(Homo sapiens (Human))
BDBM50306042
PNG
(2-isopropyl-3-(3-(3-(methylsulfonyl)phenoxy)phenyl...)
Show SMILES CC(C)c1nc2c(cccn2c1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1)C#N
Show InChI InChI=1S/C24H21N3O3S/c1-16(2)22-23(27-12-6-8-18(15-25)24(27)26-22)17-7-4-9-19(13-17)30-20-10-5-11-21(14-20)31(3,28)29/h4-14,16H,1-3H3
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n/an/a 43n/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-alpha


(Homo sapiens (Human))
BDBM50306029
PNG
(2-methyl-3-(3-(3-(methylsulfonyl)phenoxy)phenyl)-8...)
Show SMILES Cc1nc2c(cccn2c1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1)C(F)(F)F
Show InChI InChI=1S/C22H17F3N2O3S/c1-14-20(27-11-5-10-19(21(27)26-14)22(23,24)25)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 49n/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-alpha


(Homo sapiens (Human))
BDBM50378592
PNG
(CHEMBL612006)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(CN3CCCCC3)nc3c(cccn23)C(F)(F)F)c1
Show InChI InChI=1S/C27H26F3N3O3S/c1-37(34,35)22-11-6-10-21(17-22)36-20-9-5-8-19(16-20)25-24(18-32-13-3-2-4-14-32)31-26-23(27(28,29)30)12-7-15-33(25)26/h5-12,15-17H,2-4,13-14,18H2,1H3
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n/an/a 69n/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))
BDBM50306046
PNG
(3-(3-(8-chloro-2-isopropylimidazo[1,2-a]pyridin-3-...)
Show SMILES COc1ccc(CN(C)S(=O)(=O)c2cccc(Oc3cccc(c3)-c3c(nc4c(Cl)cccn34)C(C)C)c2)cc1
Show InChI InChI=1S/C31H30ClN3O4S/c1-21(2)29-30(35-17-7-12-28(32)31(35)33-29)23-8-5-9-25(18-23)39-26-10-6-11-27(19-26)40(36,37)34(3)20-22-13-15-24(38-4)16-14-22/h5-19,21H,20H2,1-4H3
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n/an/a 71n/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-alpha


(Homo sapiens (Human))
BDBM50306022
PNG
(2-ethyl-3-(3-(3-(methylsulfonyl)benzyl)phenyl)-8-(...)
Show SMILES CCc1nc2c(cccn2c1-c1cccc(Cc2cccc(c2)S(C)(=O)=O)c1)C(F)(F)F
Show InChI InChI=1S/C24H21F3N2O2S/c1-3-21-22(29-12-6-11-20(23(29)28-21)24(25,26)27)18-9-4-7-16(14-18)13-17-8-5-10-19(15-17)32(2,30)31/h4-12,14-15H,3,13H2,1-2H3
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n/an/a 79n/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-alpha


(Homo sapiens (Human))
BDBM50306024
PNG
(2-isopropyl-3-(3-(3-(methylsulfonyl)benzyloxy)phen...)
Show SMILES CC(C)c1nc2c(cccn2c1-c1cccc(OCc2cccc(c2)S(C)(=O)=O)c1)C(F)(F)F
Show InChI InChI=1S/C25H23F3N2O3S/c1-16(2)22-23(30-12-6-11-21(24(30)29-22)25(26,27)28)18-8-5-9-19(14-18)33-15-17-7-4-10-20(13-17)34(3,31)32/h4-14,16H,15H2,1-3H3
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n/an/a 89n/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))
BDBM50378589
PNG
(CHEMBL611734)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(nc3c(cccn23)C(F)(F)F)-c2ccccc2)c1
Show InChI InChI=1S/C27H19F3N2O3S/c1-36(33,34)22-13-6-12-21(17-22)35-20-11-5-10-19(16-20)25-24(18-8-3-2-4-9-18)31-26-23(27(28,29)30)14-7-15-32(25)26/h2-17H,1H3
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n/an/a 91n/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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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-alpha


(Homo sapiens (Human))
BDBM50306047
PNG
(3-(3-(8-chloro-2-isopropylimidazo[1,2-a]pyridin-3-...)
Show SMILES CC(C)c1nc2c(Cl)cccn2c1-c1cccc(Oc2cccc(c2)S(N)(=O)=O)c1
Show InChI InChI=1S/C22H20ClN3O3S/c1-14(2)20-21(26-11-5-10-19(23)22(26)25-20)15-6-3-7-16(12-15)29-17-8-4-9-18(13-17)30(24,27)28/h3-14H,1-2H3,(H2,24,27,28)
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n/an/a 136n/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))
BDBM50378587
PNG
(CHEMBL611466)
Show SMILES CC(C)c1nc2c(cccn2c1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1)C(F)(F)F
Show InChI InChI=1S/C24H21F3N2O3S/c1-15(2)21-22(29-12-6-11-20(23(29)28-21)24(25,26)27)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 137n/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-alpha


(Homo sapiens (Human))
BDBM50306026
PNG
(2-isopropyl-3-(3'-(methylsulfonyl)biphenyl-4-yl)-8...)
Show SMILES CC(C)c1nc2c(cccn2c1-c1ccc(cc1)-c1cccc(c1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C24H21F3N2O2S/c1-15(2)21-22(29-13-5-8-20(23(29)28-21)24(25,26)27)17-11-9-16(10-12-17)18-6-4-7-19(14-18)32(3,30)31/h4-15H,1-3H3
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n/an/a 166n/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-alpha


(Homo sapiens (Human))
BDBM50306021
PNG
(2-isopropyl-3-(3-(3-(methylsulfonylmethyl)phenoxy)...)
Show SMILES CC(C)c1nc2c(cccn2c1-c1cccc(Oc2cccc(CS(C)(=O)=O)c2)c1)C(F)(F)F
Show InChI InChI=1S/C25H23F3N2O3S/c1-16(2)22-23(30-12-6-11-21(24(30)29-22)25(26,27)28)18-8-5-10-20(14-18)33-19-9-4-7-17(13-19)15-34(3,31)32/h4-14,16H,15H2,1-3H3
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n/an/a 187n/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-alpha


(Homo sapiens (Human))
BDBM50306032
PNG
(3-(3-(3-(2-methyl-8-(trifluoromethyl)imidazo[1,2-a...)
Show SMILES Cc1nc2c(cccn2c1-c1cccc(Oc2cccc(c2)S(=O)(=O)CCCO)c1)C(F)(F)F
Show InChI InChI=1S/C24H21F3N2O4S/c1-16-22(29-11-4-10-21(23(29)28-16)24(25,26)27)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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n/an/a 188n/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-alpha


(Homo sapiens (Human))
BDBM50306045
PNG
(2-isopropyl-8-(trifluoromethyl)-3-(3-(3-(trifluoro...)
Show SMILES CC(C)c1nc2c(cccn2c1-c1cccc(Oc2cccc(c2)S(=O)(=O)C(F)(F)F)c1)C(F)(F)F
Show InChI InChI=1S/C24H18F6N2O3S/c1-14(2)20-21(32-11-5-10-19(22(32)31-20)23(25,26)27)15-6-3-7-16(12-15)35-17-8-4-9-18(13-17)36(33,34)24(28,29)30/h3-14H,1-2H3
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n/an/a 194n/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))
BDBM50378586
PNG
(CHEMBL611465)
Show SMILES CCc1nc2c(cccn2c1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1)C(F)(F)F
Show InChI InChI=1S/C23H19F3N2O3S/c1-3-20-21(28-12-6-11-19(22(28)27-20)23(24,25)26)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: 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))
BDBM50378588
PNG
(CHEMBL611467)
Show SMILES CC(C)(C)c1nc2c(cccn2c1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1)C(F)(F)F
Show InChI InChI=1S/C25H23F3N2O3S/c1-24(2,3)22-21(30-13-7-12-20(23(30)29-22)25(26,27)28)16-8-5-9-17(14-16)33-18-10-6-11-19(15-18)34(4,31)32/h5-15H,1-4H3
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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: 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))
BDBM50306020
PNG
(3-(3-(8-chloro-2-isopropylimidazo[1,2-a]pyridin-3-...)
Show SMILES CNS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(nc3c(Cl)cccn23)C(C)C)c1
Show InChI InChI=1S/C23H22ClN3O3S/c1-15(2)21-22(27-12-6-11-20(24)23(27)26-21)16-7-4-8-17(13-16)30-18-9-5-10-19(14-18)31(28,29)25-3/h4-15,25H,1-3H3
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n/an/a 239n/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-alpha


(Homo sapiens (Human))
BDBM50378591
PNG
(CHEMBL612005)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(CN3CCCC3)nc3c(cccn23)C(F)(F)F)c1
Show InChI InChI=1S/C26H24F3N3O3S/c1-36(33,34)21-10-5-9-20(16-21)35-19-8-4-7-18(15-19)24-23(17-31-12-2-3-13-31)30-25-22(26(27,28)29)11-6-14-32(24)25/h4-11,14-16H,2-3,12-13,17H2,1H3
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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: 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))
BDBM50306023
PNG
(2-ethyl-3-(3-((3-(methylsulfonyl)phenoxy)methyl)ph...)
Show SMILES CCc1nc2c(cccn2c1-c1cccc(COc2cccc(c2)S(C)(=O)=O)c1)C(F)(F)F
Show InChI InChI=1S/C24H21F3N2O3S/c1-3-21-22(29-12-6-11-20(23(29)28-21)24(25,26)27)17-8-4-7-16(13-17)15-32-18-9-5-10-19(14-18)33(2,30)31/h4-14H,3,15H2,1-2H3
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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: 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))
BDBM50306041
PNG
(8-chloro-2-isopropyl-3-(3-(3-(methylsulfonyl)pheno...)
Show SMILES CC(C)c1nc2c(Cl)cccn2c1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1
Show InChI InChI=1S/C23H21ClN2O3S/c1-15(2)21-22(26-12-6-11-20(24)23(26)25-21)16-7-4-8-17(13-16)29-18-9-5-10-19(14-18)30(3,27)28/h4-15H,1-3H3
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n/an/a 304n/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))
BDBM50378594
PNG
(CHEMBL608531)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(nc3c(cccn23)C(F)(F)F)-n2ccnc2)c1
Show InChI InChI=1S/C24H17F3N4O3S/c1-35(32,33)19-8-3-7-18(14-19)34-17-6-2-5-16(13-17)21-23(30-12-10-28-15-30)29-22-20(24(25,26)27)9-4-11-31(21)22/h2-15H,1H3
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n/an/a 365n/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))
BDBM50306030
PNG
(3-(3-(3-(ethylsulfonyl)phenoxy)phenyl)-2-methyl-8-...)
Show SMILES CCS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(C)nc3c(cccn23)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)21-15(2)27-22-20(23(24,25)26)11-6-12-28(21)22/h4-14H,3H2,1-2H3
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n/an/a 561n/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))
BDBM50306029
PNG
(2-methyl-3-(3-(3-(methylsulfonyl)phenoxy)phenyl)-8...)
Show SMILES Cc1nc2c(cccn2c1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1)C(F)(F)F
Show InChI InChI=1S/C22H17F3N2O3S/c1-14-20(27-11-5-10-19(21(27)26-14)22(23,24)25)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 799n/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))
BDBM50306031
PNG
(3-(3-(3-(isopropylsulfonyl)phenoxy)phenyl)-2-methy...)
Show SMILES CC(C)S(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(C)nc3c(cccn23)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)22-16(3)28-23-21(24(25,26)27)11-6-12-29(22)23/h4-15H,1-3H3
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n/an/a 960n/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))
BDBM50378592
PNG
(CHEMBL612006)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(CN3CCCCC3)nc3c(cccn23)C(F)(F)F)c1
Show InChI InChI=1S/C27H26F3N3O3S/c1-37(34,35)22-11-6-10-21(17-22)36-20-9-5-8-19(16-20)25-24(18-32-13-3-2-4-14-32)31-26-23(27(28,29)30)12-7-15-33(25)26/h5-12,15-17H,2-4,13-14,18H2,1H3
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n/an/a>1.00E+3n/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))
BDBM50306023
PNG
(2-ethyl-3-(3-((3-(methylsulfonyl)phenoxy)methyl)ph...)
Show SMILES CCc1nc2c(cccn2c1-c1cccc(COc2cccc(c2)S(C)(=O)=O)c1)C(F)(F)F
Show InChI InChI=1S/C24H21F3N2O3S/c1-3-21-22(29-12-6-11-20(23(29)28-21)24(25,26)27)17-8-4-7-16(13-17)15-32-18-9-5-10-19(14-18)33(2,30)31/h4-14H,3,15H2,1-2H3
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n/an/a>1.00E+3n/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))
BDBM50378591
PNG
(CHEMBL612005)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(CN3CCCC3)nc3c(cccn23)C(F)(F)F)c1
Show InChI InChI=1S/C26H24F3N3O3S/c1-36(33,34)21-10-5-9-20(16-21)35-19-8-4-7-18(15-19)24-23(17-31-12-2-3-13-31)30-25-22(26(27,28)29)11-6-14-32(24)25/h4-11,14-16H,2-3,12-13,17H2,1H3
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n/an/a>1.00E+3n/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))
BDBM50306042
PNG
(2-isopropyl-3-(3-(3-(methylsulfonyl)phenoxy)phenyl...)
Show SMILES CC(C)c1nc2c(cccn2c1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1)C#N
Show InChI InChI=1S/C24H21N3O3S/c1-16(2)22-23(27-12-6-8-18(15-25)24(27)26-22)17-7-4-9-19(13-17)30-20-10-5-11-21(14-20)31(3,28)29/h4-14,16H,1-3H3
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n/an/a>1.00E+3n/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))
BDBM50306045
PNG
(2-isopropyl-8-(trifluoromethyl)-3-(3-(3-(trifluoro...)
Show SMILES CC(C)c1nc2c(cccn2c1-c1cccc(Oc2cccc(c2)S(=O)(=O)C(F)(F)F)c1)C(F)(F)F
Show InChI InChI=1S/C24H18F6N2O3S/c1-14(2)20-21(32-11-5-10-19(22(32)31-20)23(25,26)27)15-6-3-7-16(12-15)35-17-8-4-9-18(13-17)36(33,34)24(28,29)30/h3-14H,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: 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))
BDBM50306047
PNG
(3-(3-(8-chloro-2-isopropylimidazo[1,2-a]pyridin-3-...)
Show SMILES CC(C)c1nc2c(Cl)cccn2c1-c1cccc(Oc2cccc(c2)S(N)(=O)=O)c1
Show InChI InChI=1S/C22H20ClN3O3S/c1-14(2)20-21(26-11-5-10-19(23)22(26)25-20)15-6-3-7-16(12-15)29-17-8-4-9-18(13-17)30(24,27)28/h3-14H,1-2H3,(H2,24,27,28)
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n/an/a>1.00E+3n/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))
BDBM50306022
PNG
(2-ethyl-3-(3-(3-(methylsulfonyl)benzyl)phenyl)-8-(...)
Show SMILES CCc1nc2c(cccn2c1-c1cccc(Cc2cccc(c2)S(C)(=O)=O)c1)C(F)(F)F
Show InChI InChI=1S/C24H21F3N2O2S/c1-3-21-22(29-12-6-11-20(23(29)28-21)24(25,26)27)18-9-4-7-16(14-18)13-17-8-5-10-19(15-17)32(2,30)31/h4-12,14-15H,3,13H2,1-2H3
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n/an/a>1.00E+3n/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
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