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PubMed code 18800767

Compile data set for download or QSAR
Found 45 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))		BDBM50252816
PNG
(2-(4-{Butyl[3-(2-hydroxyethoxy)benzyl]amino}phenyl...)
Show SMILES CCCCN(Cc1cccc(CCO)c1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H25F6NO2/c1-2-3-12-29(15-17-6-4-5-16(14-17)11-13-30)19-9-7-18(8-10-19)20(31,21(23,24)25)22(26,27)28/h4-10,14,30-31H,2-3,11-13,15H2,1H3
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GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRbeta ligand binding domain

J Med Chem 51: 5758-65 (2008)


Article DOI: 10.1021/jm800612u
BindingDB Entry DOI: 10.7270/Q28052FN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50252850
PNG
(2-{4-[Butyl(pyridin-4-ylmethyl)amino]phenyl}-1,1,1...)
Show SMILES CCCCN(Cc1ccncc1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H20F6N2O/c1-2-3-12-27(13-14-8-10-26-11-9-14)16-6-4-15(5-7-16)17(28,18(20,21)22)19(23,24)25/h4-11,28H,2-3,12-13H2,1H3
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GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRbeta ligand binding domain

J Med Chem 51: 5758-65 (2008)


Article DOI: 10.1021/jm800612u
BindingDB Entry DOI: 10.7270/Q28052FN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50252939
PNG
(2-[4-(Butyl{[3-chloro-4,5-bis(methyloxy)phenyl]met...)
Show SMILES CCCCN(Cc1cc(Cl)c(OC)c(OC)c1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H24ClF6NO3/c1-4-5-10-30(13-14-11-17(23)19(33-3)18(12-14)32-2)16-8-6-15(7-9-16)20(31,21(24,25)26)22(27,28)29/h6-9,11-12,31H,4-5,10,13H2,1-3H3
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GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRbeta ligand binding domain

J Med Chem 51: 5758-65 (2008)


Article DOI: 10.1021/jm800612u
BindingDB Entry DOI: 10.7270/Q28052FN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50252817
PNG
(2-{4-[Butyl(pyridin-2-ylmethyl)amino]phenyl}-1,1,1...)
Show SMILES CCCCN(Cc1ccccn1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H20F6N2O/c1-2-3-12-27(13-15-6-4-5-11-26-15)16-9-7-14(8-10-16)17(28,18(20,21)22)19(23,24)25/h4-11,28H,2-3,12-13H2,1H3
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GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRbeta ligand binding domain

J Med Chem 51: 5758-65 (2008)


Article DOI: 10.1021/jm800612u
BindingDB Entry DOI: 10.7270/Q28052FN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50252967
PNG
(2-{4-[Butyl(3,5-dichloro-4-methoxybenzyl)amino]phe...)
Show SMILES CCCCN(Cc1cc(Cl)c(OC)c(Cl)c1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H21Cl2F6NO2/c1-3-4-9-30(12-13-10-16(22)18(32-2)17(23)11-13)15-7-5-14(6-8-15)19(31,20(24,25)26)21(27,28)29/h5-8,10-11,31H,3-4,9,12H2,1-2H3
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GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRbeta ligand binding domain

J Med Chem 51: 5758-65 (2008)


Article DOI: 10.1021/jm800612u
BindingDB Entry DOI: 10.7270/Q28052FN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50252852
PNG
(3-[(Butyl{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluor...)
Show SMILES CCCCN(Cc1cccc(O)c1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H21F6NO2/c1-2-3-11-27(13-14-5-4-6-17(28)12-14)16-9-7-15(8-10-16)18(29,19(21,22)23)20(24,25)26/h4-10,12,28-29H,2-3,11,13H2,1H3
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GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRbeta ligand binding domain

J Med Chem 51: 5758-65 (2008)


Article DOI: 10.1021/jm800612u
BindingDB Entry DOI: 10.7270/Q28052FN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM19992
PNG
(2-[3-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methy...)
Show SMILES OC(=O)Cc1cccc(OCCCN(CC(c2ccccc2)c2ccccc2)Cc2cccc(c2Cl)C(F)(F)F)c1
Show InChI InChI=1S/C33H31ClF3NO3/c34-32-27(15-8-17-30(32)33(35,36)37)22-38(18-9-19-41-28-16-7-10-24(20-28)21-31(39)40)23-29(25-11-3-1-4-12-25)26-13-5-2-6-14-26/h1-8,10-17,20,29H,9,18-19,21-23H2,(H,39,40)
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GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRbeta ligand binding domain

J Med Chem 51: 5758-65 (2008)


Article DOI: 10.1021/jm800612u
BindingDB Entry DOI: 10.7270/Q28052FN
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50252940
PNG
(4-[(Butyl{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluor...)
Show SMILES CCCCN(Cc1cc(Cl)c(O)c(Cl)c1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H19Cl2F6NO2/c1-2-3-8-29(11-12-9-15(21)17(30)16(22)10-12)14-6-4-13(5-7-14)18(31,19(23,24)25)20(26,27)28/h4-7,9-10,30-31H,2-3,8,11H2,1H3
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GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRbeta ligand binding domain

J Med Chem 51: 5758-65 (2008)


Article DOI: 10.1021/jm800612u
BindingDB Entry DOI: 10.7270/Q28052FN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50252941
PNG
(2-{4-[Butyl(3,5-dichlorobenzyl)amino]phenyl}-1,1,1...)
Show SMILES CCCCN(Cc1cc(Cl)cc(Cl)c1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H19Cl2F6NO/c1-2-3-8-29(12-13-9-15(21)11-16(22)10-13)17-6-4-14(5-7-17)18(30,19(23,24)25)20(26,27)28/h4-7,9-11,30H,2-3,8,12H2,1H3
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GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRbeta ligand binding domain

J Med Chem 51: 5758-65 (2008)


Article DOI: 10.1021/jm800612u
BindingDB Entry DOI: 10.7270/Q28052FN
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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GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRbeta ligand binding domain

J Med Chem 51: 5758-65 (2008)


Article DOI: 10.1021/jm800612u
BindingDB Entry DOI: 10.7270/Q28052FN
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50252815
PNG
(2-{4-[Benzyl(butyl)amino]phenyl}-1,1,1,3,3,3-hexaf...)
Show SMILES CCCCN(Cc1ccccc1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H21F6NO/c1-2-3-13-27(14-15-7-5-4-6-8-15)17-11-9-16(10-12-17)18(28,19(21,22)23)20(24,25)26/h4-12,28H,2-3,13-14H2,1H3
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GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRbeta ligand binding domain

J Med Chem 51: 5758-65 (2008)


Article DOI: 10.1021/jm800612u
BindingDB Entry DOI: 10.7270/Q28052FN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50252851
PNG
(2-[(Butyl{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluor...)
Show SMILES CCCCN(Cc1ccccc1O)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H21F6NO2/c1-2-3-12-27(13-14-6-4-5-7-17(14)28)16-10-8-15(9-11-16)18(29,19(21,22)23)20(24,25)26/h4-11,28-29H,2-3,12-13H2,1H3
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GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRbeta ligand binding domain

J Med Chem 51: 5758-65 (2008)


Article DOI: 10.1021/jm800612u
BindingDB Entry DOI: 10.7270/Q28052FN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50252938
PNG
(4-[(Butyl{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluor...)
Show SMILES CCCCN(Cc1cc(Cl)c(O)c(OC)c1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H22ClF6NO3/c1-3-4-9-29(12-13-10-16(22)18(30)17(11-13)32-2)15-7-5-14(6-8-15)19(31,20(23,24)25)21(26,27)28/h5-8,10-11,30-31H,3-4,9,12H2,1-2H3
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GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRbeta ligand binding domain

J Med Chem 51: 5758-65 (2008)


Article DOI: 10.1021/jm800612u
BindingDB Entry DOI: 10.7270/Q28052FN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50252908
PNG
(4-[(Butyl{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluor...)
Show SMILES CCCCN(Cc1ccc(O)c(Cl)c1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H20ClF6NO2/c1-2-3-10-28(12-13-4-9-17(29)16(21)11-13)15-7-5-14(6-8-15)18(30,19(22,23)24)20(25,26)27/h4-9,11,29-30H,2-3,10,12H2,1H3
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GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRbeta ligand binding domain

J Med Chem 51: 5758-65 (2008)


Article DOI: 10.1021/jm800612u
BindingDB Entry DOI: 10.7270/Q28052FN
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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GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRalpha ligand binding domain

J Med Chem 51: 5758-65 (2008)


Article DOI: 10.1021/jm800612u
BindingDB Entry DOI: 10.7270/Q28052FN
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50252850
PNG
(2-{4-[Butyl(pyridin-4-ylmethyl)amino]phenyl}-1,1,1...)
Show SMILES CCCCN(Cc1ccncc1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H20F6N2O/c1-2-3-12-27(13-14-8-10-26-11-9-14)16-6-4-15(5-7-16)17(28,18(20,21)22)19(23,24)25/h4-11,28H,2-3,12-13H2,1H3
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GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRalpha ligand binding domain

J Med Chem 51: 5758-65 (2008)


Article DOI: 10.1021/jm800612u
BindingDB Entry DOI: 10.7270/Q28052FN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50252816
PNG
(2-(4-{Butyl[3-(2-hydroxyethoxy)benzyl]amino}phenyl...)
Show SMILES CCCCN(Cc1cccc(CCO)c1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H25F6NO2/c1-2-3-12-29(15-17-6-4-5-16(14-17)11-13-30)19-9-7-18(8-10-19)20(31,21(23,24)25)22(26,27)28/h4-10,14,30-31H,2-3,11-13,15H2,1H3
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GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRalpha ligand binding domain

J Med Chem 51: 5758-65 (2008)


Article DOI: 10.1021/jm800612u
BindingDB Entry DOI: 10.7270/Q28052FN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50252907
PNG
(2-[(Butyl{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluor...)
Show SMILES CCCCN(Cc1cc(Cl)ccc1O)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H20ClF6NO2/c1-2-3-10-28(12-13-11-15(21)6-9-17(13)29)16-7-4-14(5-8-16)18(30,19(22,23)24)20(25,26)27/h4-9,11,29-30H,2-3,10,12H2,1H3
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GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRbeta ligand binding domain

J Med Chem 51: 5758-65 (2008)


Article DOI: 10.1021/jm800612u
BindingDB Entry DOI: 10.7270/Q28052FN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50252854
PNG
(2-[(Butyl{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluor...)
Show SMILES CCCCN(Cc1cccc(F)c1O)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H20F7NO2/c1-2-3-11-28(12-13-5-4-6-16(21)17(13)29)15-9-7-14(8-10-15)18(30,19(22,23)24)20(25,26)27/h4-10,29-30H,2-3,11-12H2,1H3
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GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRbeta ligand binding domain

J Med Chem 51: 5758-65 (2008)


Article DOI: 10.1021/jm800612u
BindingDB Entry DOI: 10.7270/Q28052FN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50252817
PNG
(2-{4-[Butyl(pyridin-2-ylmethyl)amino]phenyl}-1,1,1...)
Show SMILES CCCCN(Cc1ccccn1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H20F6N2O/c1-2-3-12-27(13-15-6-4-5-11-26-15)16-9-7-14(8-10-16)17(28,18(20,21)22)19(23,24)25/h4-11,28H,2-3,12-13H2,1H3
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n/an/a 120n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRalpha ligand binding domain

J Med Chem 51: 5758-65 (2008)


Article DOI: 10.1021/jm800612u
BindingDB Entry DOI: 10.7270/Q28052FN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50252852
PNG
(3-[(Butyl{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluor...)
Show SMILES CCCCN(Cc1cccc(O)c1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H21F6NO2/c1-2-3-11-27(13-14-5-4-6-17(28)12-14)16-9-7-15(8-10-16)18(29,19(21,22)23)20(24,25)26/h4-10,12,28-29H,2-3,11,13H2,1H3
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n/an/a 160n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRalpha ligand binding domain

J Med Chem 51: 5758-65 (2008)


Article DOI: 10.1021/jm800612u
BindingDB Entry DOI: 10.7270/Q28052FN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50252905
PNG
(2-[(Butyl{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluor...)
Show SMILES CCCCN(Cc1cc(OC(F)(F)F)ccc1O)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H20F9NO3/c1-2-3-10-31(12-13-11-16(8-9-17(13)32)34-21(28,29)30)15-6-4-14(5-7-15)18(33,19(22,23)24)20(25,26)27/h4-9,11,32-33H,2-3,10,12H2,1H3
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n/an/a 165n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRbeta ligand binding domain

J Med Chem 51: 5758-65 (2008)


Article DOI: 10.1021/jm800612u
BindingDB Entry DOI: 10.7270/Q28052FN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50252939
PNG
(2-[4-(Butyl{[3-chloro-4,5-bis(methyloxy)phenyl]met...)
Show SMILES CCCCN(Cc1cc(Cl)c(OC)c(OC)c1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H24ClF6NO3/c1-4-5-10-30(13-14-11-17(23)19(33-3)18(12-14)32-2)16-8-6-15(7-9-16)20(31,21(24,25)26)22(27,28)29/h6-9,11-12,31H,4-5,10,13H2,1-3H3
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n/an/a 165n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRalpha ligand binding domain

J Med Chem 51: 5758-65 (2008)


Article DOI: 10.1021/jm800612u
BindingDB Entry DOI: 10.7270/Q28052FN
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50252967
PNG
(2-{4-[Butyl(3,5-dichloro-4-methoxybenzyl)amino]phe...)
Show SMILES CCCCN(Cc1cc(Cl)c(OC)c(Cl)c1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H21Cl2F6NO2/c1-3-4-9-30(12-13-10-16(22)18(32-2)17(23)11-13)15-7-5-14(6-8-15)19(31,20(24,25)26)21(27,28)29/h5-8,10-11,31H,3-4,9,12H2,1-2H3
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n/an/a 170n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRalpha ligand binding domain

J Med Chem 51: 5758-65 (2008)


Article DOI: 10.1021/jm800612u
BindingDB Entry DOI: 10.7270/Q28052FN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50252815
PNG
(2-{4-[Benzyl(butyl)amino]phenyl}-1,1,1,3,3,3-hexaf...)
Show SMILES CCCCN(Cc1ccccc1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H21F6NO/c1-2-3-13-27(14-15-7-5-4-6-8-15)17-11-9-16(10-12-17)18(28,19(21,22)23)20(24,25)26/h4-12,28H,2-3,13-14H2,1H3
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n/an/a 170n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRalpha ligand binding domain

J Med Chem 51: 5758-65 (2008)


Article DOI: 10.1021/jm800612u
BindingDB Entry DOI: 10.7270/Q28052FN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50252814
PNG
(1,1,1,3,3,3-Hexafluoro-2-{4-[methyl(phenylmethyl)a...)
Show SMILES CN(Cc1ccccc1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H15F6NO/c1-24(11-12-5-3-2-4-6-12)14-9-7-13(8-10-14)15(25,16(18,19)20)17(21,22)23/h2-10,25H,11H2,1H3
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n/an/a 170n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRbeta ligand binding domain

J Med Chem 51: 5758-65 (2008)


Article DOI: 10.1021/jm800612u
BindingDB Entry DOI: 10.7270/Q28052FN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50252690
PNG
(2-(4-(dibenzylamino)phenyl)-1,1,1,3,3,3-hexafluoro...)
Show SMILES OC(c1ccc(cc1)N(Cc1ccccc1)Cc1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H19F6NO/c24-22(25,26)21(31,23(27,28)29)19-11-13-20(14-12-19)30(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-14,31H,15-16H2
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n/an/a 175n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRbeta ligand binding domain

J Med Chem 51: 5758-65 (2008)


Article DOI: 10.1021/jm800612u
BindingDB Entry DOI: 10.7270/Q28052FN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50252851
PNG
(2-[(Butyl{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluor...)
Show SMILES CCCCN(Cc1ccccc1O)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H21F6NO2/c1-2-3-12-27(13-14-6-4-5-7-17(14)28)16-10-8-15(9-11-16)18(29,19(21,22)23)20(24,25)26/h4-11,28-29H,2-3,12-13H2,1H3
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n/an/a 180n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRalpha ligand binding domain

J Med Chem 51: 5758-65 (2008)


Article DOI: 10.1021/jm800612u
BindingDB Entry DOI: 10.7270/Q28052FN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50252940
PNG
(4-[(Butyl{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluor...)
Show SMILES CCCCN(Cc1cc(Cl)c(O)c(Cl)c1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H19Cl2F6NO2/c1-2-3-8-29(11-12-9-15(21)17(30)16(22)10-12)14-6-4-13(5-7-14)18(31,19(23,24)25)20(26,27)28/h4-7,9-10,30-31H,2-3,8,11H2,1H3
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n/an/a 180n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRalpha ligand binding domain

J Med Chem 51: 5758-65 (2008)


Article DOI: 10.1021/jm800612u
BindingDB Entry DOI: 10.7270/Q28052FN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50252905
PNG
(2-[(Butyl{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluor...)
Show SMILES CCCCN(Cc1cc(OC(F)(F)F)ccc1O)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H20F9NO3/c1-2-3-10-31(12-13-11-16(8-9-17(13)32)34-21(28,29)30)15-6-4-14(5-7-15)18(33,19(22,23)24)20(25,26)27/h4-9,11,32-33H,2-3,10,12H2,1H3
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n/an/a 190n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRalpha ligand binding domain

J Med Chem 51: 5758-65 (2008)


Article DOI: 10.1021/jm800612u
BindingDB Entry DOI: 10.7270/Q28052FN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50252941
PNG
(2-{4-[Butyl(3,5-dichlorobenzyl)amino]phenyl}-1,1,1...)
Show SMILES CCCCN(Cc1cc(Cl)cc(Cl)c1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H19Cl2F6NO/c1-2-3-8-29(12-13-9-15(21)11-16(22)10-13)17-6-4-14(5-7-17)18(30,19(23,24)25)20(26,27)28/h4-7,9-11,30H,2-3,8,12H2,1H3
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n/an/a 195n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRalpha ligand binding domain

J Med Chem 51: 5758-65 (2008)


Article DOI: 10.1021/jm800612u
BindingDB Entry DOI: 10.7270/Q28052FN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50252907
PNG
(2-[(Butyl{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluor...)
Show SMILES CCCCN(Cc1cc(Cl)ccc1O)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H20ClF6NO2/c1-2-3-10-28(12-13-11-15(21)6-9-17(13)29)16-7-4-14(5-8-16)18(30,19(22,23)24)20(25,26)27/h4-9,11,29-30H,2-3,10,12H2,1H3
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GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRalpha ligand binding domain

J Med Chem 51: 5758-65 (2008)


Article DOI: 10.1021/jm800612u
BindingDB Entry DOI: 10.7270/Q28052FN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM19992
PNG
(2-[3-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methy...)
Show SMILES OC(=O)Cc1cccc(OCCCN(CC(c2ccccc2)c2ccccc2)Cc2cccc(c2Cl)C(F)(F)F)c1
Show InChI InChI=1S/C33H31ClF3NO3/c34-32-27(15-8-17-30(32)33(35,36)37)22-38(18-9-19-41-28-16-7-10-24(20-28)21-31(39)40)23-29(25-11-3-1-4-12-25)26-13-5-2-6-14-26/h1-8,10-17,20,29H,9,18-19,21-23H2,(H,39,40)
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n/an/a 235n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRalpha ligand binding domain

J Med Chem 51: 5758-65 (2008)


Article DOI: 10.1021/jm800612u
BindingDB Entry DOI: 10.7270/Q28052FN
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50252906
PNG
(2-[(Butyl{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluor...)
Show SMILES CCCCN(Cc1cc(Cl)cc(Cl)c1O)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H19Cl2F6NO2/c1-2-3-8-29(11-12-9-14(21)10-16(22)17(12)30)15-6-4-13(5-7-15)18(31,19(23,24)25)20(26,27)28/h4-7,9-10,30-31H,2-3,8,11H2,1H3
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n/an/a 290n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRbeta ligand binding domain

J Med Chem 51: 5758-65 (2008)


Article DOI: 10.1021/jm800612u
BindingDB Entry DOI: 10.7270/Q28052FN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50252814
PNG
(1,1,1,3,3,3-Hexafluoro-2-{4-[methyl(phenylmethyl)a...)
Show SMILES CN(Cc1ccccc1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H15F6NO/c1-24(11-12-5-3-2-4-6-12)14-9-7-13(8-10-14)15(25,16(18,19)20)17(21,22)23/h2-10,25H,11H2,1H3
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GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRalpha ligand binding domain

J Med Chem 51: 5758-65 (2008)


Article DOI: 10.1021/jm800612u
BindingDB Entry DOI: 10.7270/Q28052FN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50252690
PNG
(2-(4-(dibenzylamino)phenyl)-1,1,1,3,3,3-hexafluoro...)
Show SMILES OC(c1ccc(cc1)N(Cc1ccccc1)Cc1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H19F6NO/c24-22(25,26)21(31,23(27,28)29)19-11-13-20(14-12-19)30(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-14,31H,15-16H2
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GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRalpha ligand binding domain

J Med Chem 51: 5758-65 (2008)


Article DOI: 10.1021/jm800612u
BindingDB Entry DOI: 10.7270/Q28052FN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50252908
PNG
(4-[(Butyl{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluor...)
Show SMILES CCCCN(Cc1ccc(O)c(Cl)c1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H20ClF6NO2/c1-2-3-10-28(12-13-4-9-17(29)16(21)11-13)15-7-5-14(6-8-15)18(30,19(22,23)24)20(25,26)27/h4-9,11,29-30H,2-3,10,12H2,1H3
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GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRalpha ligand binding domain

J Med Chem 51: 5758-65 (2008)


Article DOI: 10.1021/jm800612u
BindingDB Entry DOI: 10.7270/Q28052FN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50252854
PNG
(2-[(Butyl{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluor...)
Show SMILES CCCCN(Cc1cccc(F)c1O)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H20F7NO2/c1-2-3-11-28(12-13-5-4-6-16(21)17(13)29)15-9-7-14(8-10-15)18(30,19(22,23)24)20(25,26)27/h4-10,29-30H,2-3,11-12H2,1H3
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GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRalpha ligand binding domain

J Med Chem 51: 5758-65 (2008)


Article DOI: 10.1021/jm800612u
BindingDB Entry DOI: 10.7270/Q28052FN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50252853
PNG
(4-[(Butyl{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluor...)
Show SMILES CCCCN(Cc1ccc(O)cc1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H21F6NO2/c1-2-3-12-27(13-14-4-10-17(28)11-5-14)16-8-6-15(7-9-16)18(29,19(21,22)23)20(24,25)26/h4-11,28-29H,2-3,12-13H2,1H3
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n/an/a 740n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRbeta ligand binding domain

J Med Chem 51: 5758-65 (2008)


Article DOI: 10.1021/jm800612u
BindingDB Entry DOI: 10.7270/Q28052FN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50252938
PNG
(4-[(Butyl{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluor...)
Show SMILES CCCCN(Cc1cc(Cl)c(O)c(OC)c1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H22ClF6NO3/c1-3-4-9-29(12-13-10-16(22)18(30)17(11-13)32-2)15-7-5-14(6-8-15)19(31,20(23,24)25)21(26,27)28/h5-8,10-11,30-31H,3-4,9,12H2,1-2H3
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n/an/a 775n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRalpha ligand binding domain

J Med Chem 51: 5758-65 (2008)


Article DOI: 10.1021/jm800612u
BindingDB Entry DOI: 10.7270/Q28052FN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50252906
PNG
(2-[(Butyl{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluor...)
Show SMILES CCCCN(Cc1cc(Cl)cc(Cl)c1O)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H19Cl2F6NO2/c1-2-3-8-29(11-12-9-14(21)10-16(22)17(12)30)15-6-4-13(5-7-15)18(31,19(23,24)25)20(26,27)28/h4-7,9-10,30-31H,2-3,8,11H2,1H3
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n/an/a 890n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRalpha ligand binding domain

J Med Chem 51: 5758-65 (2008)


Article DOI: 10.1021/jm800612u
BindingDB Entry DOI: 10.7270/Q28052FN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50252853
PNG
(4-[(Butyl{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluor...)
Show SMILES CCCCN(Cc1ccc(O)cc1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H21F6NO2/c1-2-3-12-27(13-14-4-10-17(28)11-5-14)16-8-6-15(7-9-16)18(29,19(21,22)23)20(24,25)26/h4-11,28-29H,2-3,12-13H2,1H3
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n/an/a 955n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRalpha ligand binding domain

J Med Chem 51: 5758-65 (2008)


Article DOI: 10.1021/jm800612u
BindingDB Entry DOI: 10.7270/Q28052FN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50252940
PNG
(4-[(Butyl{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluor...)
Show SMILES CCCCN(Cc1cc(Cl)c(O)c(Cl)c1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H19Cl2F6NO2/c1-2-3-8-29(11-12-9-15(21)17(30)16(22)10-12)14-6-4-13(5-7-14)18(31,19(23,24)25)20(26,27)28/h4-7,9-10,30-31H,2-3,8,11H2,1H3
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n/an/an/an/a 3.00E+3n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of LXRbeta (unknown origin) by GAL4 reporter gene assay

J Med Chem 51: 5758-65 (2008)


Article DOI: 10.1021/jm800612u
BindingDB Entry DOI: 10.7270/Q28052FN
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2


(Homo sapiens (Human))		BDBM50252940
PNG
(4-[(Butyl{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluor...)
Show SMILES CCCCN(Cc1cc(Cl)c(O)c(Cl)c1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H19Cl2F6NO2/c1-2-3-8-29(11-12-9-15(21)17(30)16(22)10-12)14-6-4-13(5-7-14)18(31,19(23,24)25)20(26,27)28/h4-7,9-10,30-31H,2-3,8,11H2,1H3
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n/an/an/an/a 250n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PXR

J Med Chem 51: 5758-65 (2008)


Article DOI: 10.1021/jm800612u
BindingDB Entry DOI: 10.7270/Q28052FN
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50252940
PNG
(4-[(Butyl{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluor...)
Show SMILES CCCCN(Cc1cc(Cl)c(O)c(Cl)c1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H19Cl2F6NO2/c1-2-3-8-29(11-12-9-15(21)17(30)16(22)10-12)14-6-4-13(5-7-14)18(31,19(23,24)25)20(26,27)28/h4-7,9-10,30-31H,2-3,8,11H2,1H3
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n/an/an/an/a 3.00E+3n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of LXRalpha (unknown origin) by GAL4 reporter gene assay

J Med Chem 51: 5758-65 (2008)


Article DOI: 10.1021/jm800612u
BindingDB Entry DOI: 10.7270/Q28052FN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%