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Compile Data Set for Download or QSAR

Found 91 hits with Last Name = 'goodwin' and Initial = 'bj'   
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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n/an/a 15n/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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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-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-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))
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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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))
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 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))
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 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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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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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
Nuclear receptor subfamily 5 group A member 2


(Homo sapiens (Human))
BDBM22373
PNG
((3aS,6aR)-5-[(4E)-oct-4-en-4-yl]-N,4-diphenyl-1,2,...)
Show SMILES [H][C@]12CCC[C@@]1(Nc1ccccc1)C(=C(C2)C(\CCC)=C\CCC)c1ccccc1 |r,c:15|
Show InChI InChI=1S/C28H35N/c1-3-5-14-22(13-4-2)26-21-24-17-12-20-28(24,29-25-18-10-7-11-19-25)27(26)23-15-8-6-9-16-23/h6-11,14-16,18-19,24,29H,3-5,12-13,17,20-21H2,1-2H3/b22-14+/t24-,28+/m1/s1
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n/an/an/an/a 430n/an/a7.522



University of Southampton



Assay Description
The screen utilizes a ligand mediated co-factor interaction between purified bacterial expressed ligand binding domain of human LRH1 and a TIF2-deriv...


J Med Chem 49: 6652-5 (2006)


Article DOI: 10.1021/jm060990k
BindingDB Entry DOI: 10.7270/Q2930RGT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nuclear receptor subfamily 5 group A member 2


(Homo sapiens (Human))
BDBM22374
PNG
((3aS,6aR)-4-methyl-5-[(4E)-oct-4-en-4-yl]-N-phenyl...)
Show SMILES [H][C@]12CCC[C@@]1(Nc1ccccc1)C(C)=C(C2)C(\CCC)=C\CCC |r,c:16|
Show InChI InChI=1S/C23H33N/c1-4-6-12-19(11-5-2)22-17-20-13-10-16-23(20,18(22)3)24-21-14-8-7-9-15-21/h7-9,12,14-15,20,24H,4-6,10-11,13,16-17H2,1-3H3/b19-12+/t20-,23-/m1/s1
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n/an/an/an/a 90n/an/a7.522



University of Southampton



Assay Description
The screen utilizes a ligand mediated co-factor interaction between purified bacterial expressed ligand binding domain of human LRH1 and a TIF2-deriv...


J Med Chem 49: 6652-5 (2006)


Article DOI: 10.1021/jm060990k
BindingDB Entry DOI: 10.7270/Q2930RGT
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 5 group A member 2


(Homo sapiens (Human))
BDBM22375
PNG
((3aS,6aR)-4-butyl-5-[(4E)-oct-4-en-4-yl]-N-phenyl-...)
Show SMILES [H][C@]12CCC[C@@]1(Nc1ccccc1)C(CCCC)=C(C2)C(\CCC)=C\CCC |r,c:19|
Show InChI InChI=1S/C26H39N/c1-4-7-14-21(13-6-3)24-20-22-15-12-19-26(22,25(24)18-8-5-2)27-23-16-10-9-11-17-23/h9-11,14,16-17,22,27H,4-8,12-13,15,18-20H2,1-3H3/b21-14+/t22-,26+/m1/s1
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n/an/an/an/a 22n/an/a7.522



University of Southampton



Assay Description
The screen utilizes a ligand mediated co-factor interaction between purified bacterial expressed ligand binding domain of human LRH1 and a TIF2-deriv...


J Med Chem 49: 6652-5 (2006)


Article DOI: 10.1021/jm060990k
BindingDB Entry DOI: 10.7270/Q2930RGT
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 5 group A member 2


(Homo sapiens (Human))
BDBM22376
PNG
((3aS,6aR)-4-cyclohexyl-5-[(4E)-oct-4-en-4-yl]-N-ph...)
Show SMILES [H][C@]12CCC[C@@]1(Nc1ccccc1)C(C1CCCCC1)=C(C2)C(\CCC)=C\CCC |r,c:22|
Show InChI InChI=1S/C28H41N/c1-3-5-14-22(13-4-2)26-21-24-17-12-20-28(24,29-25-18-10-7-11-19-25)27(26)23-15-8-6-9-16-23/h7,10-11,14,18-19,23-24,29H,3-6,8-9,12-13,15-17,20-21H2,1-2H3/b22-14+/t24-,28+/m1/s1
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n/an/an/an/a 12n/an/a7.522



University of Southampton



Assay Description
The screen utilizes a ligand mediated co-factor interaction between purified bacterial expressed ligand binding domain of human LRH1 and a TIF2-deriv...


J Med Chem 49: 6652-5 (2006)


Article DOI: 10.1021/jm060990k
BindingDB Entry DOI: 10.7270/Q2930RGT
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 5 group A member 2


(Homo sapiens (Human))
BDBM22377
PNG
((3aS,6aR)-4-(4-bromophenyl)-5-[(4E)-oct-4-en-4-yl]...)
Show SMILES [H][C@]12CCC[C@@]1(Nc1ccccc1)C(=C(C2)C(\CCC)=C\CCC)c1ccc(Br)cc1 |r,c:15|
Show InChI InChI=1S/C28H34BrN/c1-3-5-11-21(10-4-2)26-20-23-12-9-19-28(23,30-25-13-7-6-8-14-25)27(26)22-15-17-24(29)18-16-22/h6-8,11,13-18,23,30H,3-5,9-10,12,19-20H2,1-2H3/b21-11+/t23-,28+/m1/s1
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n/an/an/an/a 160n/an/a7.522



University of Southampton



Assay Description
The screen utilizes a ligand mediated co-factor interaction between purified bacterial expressed ligand binding domain of human LRH1 and a TIF2-deriv...


J Med Chem 49: 6652-5 (2006)


Article DOI: 10.1021/jm060990k
BindingDB Entry DOI: 10.7270/Q2930RGT
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 5 group A member 2


(Homo sapiens (Human))
BDBM22378
PNG
((3aS,6aR)-4-(3-methoxyphenyl)-5-[(4E)-oct-4-en-4-y...)
Show SMILES [H][C@]12CCC[C@@]1(Nc1ccccc1)C(=C(C2)C(\CCC)=C\CCC)c1cccc(OC)c1 |r,c:15|
Show InChI InChI=1S/C29H37NO/c1-4-6-13-22(12-5-2)27-21-24-15-11-19-29(24,30-25-16-8-7-9-17-25)28(27)23-14-10-18-26(20-23)31-3/h7-10,13-14,16-18,20,24,30H,4-6,11-12,15,19,21H2,1-3H3/b22-13+/t24-,29+/m1/s1
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n/an/an/an/a 100n/an/a7.522



University of Southampton



Assay Description
The screen utilizes a ligand mediated co-factor interaction between purified bacterial expressed ligand binding domain of human LRH1 and a TIF2-deriv...


J Med Chem 49: 6652-5 (2006)


Article DOI: 10.1021/jm060990k
BindingDB Entry DOI: 10.7270/Q2930RGT
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 5 group A member 2


(Homo sapiens (Human))
BDBM22379
PNG
((3aS,6aR)-4-(naphthalen-2-yl)-5-[(4E)-oct-4-en-4-y...)
Show SMILES [H][C@]12CCC[C@@]1(Nc1ccccc1)C(=C(C2)C(\CCC)=C\CCC)c1ccc2ccccc2c1 |r,c:15|
Show InChI InChI=1S/C32H37N/c1-3-5-13-25(12-4-2)30-23-28-16-11-21-32(28,33-29-17-7-6-8-18-29)31(30)27-20-19-24-14-9-10-15-26(24)22-27/h6-10,13-15,17-20,22,28,33H,3-5,11-12,16,21,23H2,1-2H3/b25-13+/t28-,32+/m1/s1
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n/an/an/an/a 60n/an/a7.522



University of Southampton



Assay Description
The screen utilizes a ligand mediated co-factor interaction between purified bacterial expressed ligand binding domain of human LRH1 and a TIF2-deriv...


J Med Chem 49: 6652-5 (2006)


Article DOI: 10.1021/jm060990k
BindingDB Entry DOI: 10.7270/Q2930RGT
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 5 group A member 2


(Homo sapiens (Human))
BDBM22380
PNG
((3aS,6aR)-5-[(3E)-hex-3-en-3-yl]-N,4-diphenyl-1,2,...)
Show SMILES [H][C@]12CCC[C@@]1(Nc1ccccc1)C(=C(C2)C(\CC)=C\CC)c1ccccc1 |r,c:15|
Show InChI InChI=1S/C26H31N/c1-3-12-20(4-2)24-19-22-15-11-18-26(22,27-23-16-9-6-10-17-23)25(24)21-13-7-5-8-14-21/h5-10,12-14,16-17,22,27H,3-4,11,15,18-19H2,1-2H3/b20-12+/t22-,26+/m1/s1
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n/an/an/an/a 1.40E+3n/an/a7.522



University of Southampton



Assay Description
The screen utilizes a ligand mediated co-factor interaction between purified bacterial expressed ligand binding domain of human LRH1 and a TIF2-deriv...


J Med Chem 49: 6652-5 (2006)


Article DOI: 10.1021/jm060990k
BindingDB Entry DOI: 10.7270/Q2930RGT
More data for this
Ligand-Target Pair
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