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Compile Data Set for Download or QSAR

Found 22 hits with Last Name = 'meyer' and Initial = 'cr'   
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))
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/an/an/a 80n/an/a7.522



GlaxoSmithKline



Assay Description
The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...


J Med Chem 48: 5419-22 (2005)


Article DOI: 10.1021/jm050532w
BindingDB Entry DOI: 10.7270/Q26T0JXG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM8293
PNG
(1-methyl-3-phenyl-4-(phenylamino)-2,5-dihydro-1H-p...)
Show SMILES CN1C(=O)C(Nc2ccccc2)=C(C1=O)c1ccccc1 |c:12|
Show InChI InChI=1S/C17H14N2O2/c1-19-16(20)14(12-8-4-2-5-9-12)15(17(19)21)18-13-10-6-3-7-11-13/h2-11,18H,1H3
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n/an/an/an/a 850n/an/a7.522



GlaxoSmithKline



Assay Description
The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...


J Med Chem 48: 5419-22 (2005)


Article DOI: 10.1021/jm050532w
BindingDB Entry DOI: 10.7270/Q26T0JXG
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM20156
PNG
(1-benzyl-3-[(4-methoxyphenyl)amino]-4-phenyl-2,5-d...)
Show SMILES COc1ccc(NC2=C(C(=O)N(Cc3ccccc3)C2=O)c2ccccc2)cc1 |t:7|
Show InChI InChI=1S/C24H20N2O3/c1-29-20-14-12-19(13-15-20)25-22-21(18-10-6-3-7-11-18)23(27)26(24(22)28)16-17-8-4-2-5-9-17/h2-15,25H,16H2,1H3
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n/an/an/an/a 50n/an/a7.522



GlaxoSmithKline



Assay Description
The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...


J Med Chem 48: 5419-22 (2005)


Article DOI: 10.1021/jm050532w
BindingDB Entry DOI: 10.7270/Q26T0JXG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM20157
PNG
(1-benzyl-3-phenyl-4-(phenylamino)-2,5-dihydro-1H-p...)
Show SMILES O=C1N(Cc2ccccc2)C(=O)C(=C1Nc1ccccc1)c1ccccc1 |c:13|
Show InChI InChI=1S/C23H18N2O2/c26-22-20(18-12-6-2-7-13-18)21(24-19-14-8-3-9-15-19)23(27)25(22)16-17-10-4-1-5-11-17/h1-15,24H,16H2
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n/an/an/an/a 100n/an/a7.522



GlaxoSmithKline



Assay Description
The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...


J Med Chem 48: 5419-22 (2005)


Article DOI: 10.1021/jm050532w
BindingDB Entry DOI: 10.7270/Q26T0JXG
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM20158
PNG
(1-benzyl-3-[(4-chlorophenyl)amino]-4-phenyl-2,5-di...)
Show SMILES Clc1ccc(NC2=C(C(=O)N(Cc3ccccc3)C2=O)c2ccccc2)cc1 |t:6|
Show InChI InChI=1S/C23H17ClN2O2/c24-18-11-13-19(14-12-18)25-21-20(17-9-5-2-6-10-17)22(27)26(23(21)28)15-16-7-3-1-4-8-16/h1-14,25H,15H2
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n/an/an/an/a 130n/an/a7.522



GlaxoSmithKline



Assay Description
The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...


J Med Chem 48: 5419-22 (2005)


Article DOI: 10.1021/jm050532w
BindingDB Entry DOI: 10.7270/Q26T0JXG
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM20159
PNG
(1-ethyl-3-[(4-methoxyphenyl)amino]-4-phenyl-2,5-di...)
Show SMILES CCN1C(=O)C(Nc2ccc(OC)cc2)=C(C1=O)c1ccccc1 |c:15|
Show InChI InChI=1S/C19H18N2O3/c1-3-21-18(22)16(13-7-5-4-6-8-13)17(19(21)23)20-14-9-11-15(24-2)12-10-14/h4-12,20H,3H2,1-2H3
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n/an/an/an/a 300n/an/a7.522



GlaxoSmithKline



Assay Description
The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...


J Med Chem 48: 5419-22 (2005)


Article DOI: 10.1021/jm050532w
BindingDB Entry DOI: 10.7270/Q26T0JXG
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM20160
PNG
(3-[(4-methoxyphenyl)amino]-1,4-diphenyl-2,5-dihydr...)
Show SMILES COc1ccc(cc1)N=C1C(C(=O)N(C1=O)c1ccccc1)c1ccccc1 |w:8.8|
Show InChI InChI=1S/C23H18N2O3/c1-28-19-14-12-17(13-15-19)24-21-20(16-8-4-2-5-9-16)22(26)25(23(21)27)18-10-6-3-7-11-18/h2-15,20H,1H3
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n/an/an/an/a 275n/an/a7.522



GlaxoSmithKline



Assay Description
The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...


J Med Chem 48: 5419-22 (2005)


Article DOI: 10.1021/jm050532w
BindingDB Entry DOI: 10.7270/Q26T0JXG
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM20161
PNG
(3-[(4-methoxyphenyl)amino]-1-methyl-4-phenyl-2,5-d...)
Show SMILES COc1ccc(NC2=C(C(=O)N(C)C2=O)c2ccccc2)cc1 |t:7|
Show InChI InChI=1S/C18H16N2O3/c1-20-17(21)15(12-6-4-3-5-7-12)16(18(20)22)19-13-8-10-14(23-2)11-9-13/h3-11,19H,1-2H3
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n/an/an/an/a 575n/an/a7.522



GlaxoSmithKline



Assay Description
The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...


J Med Chem 48: 5419-22 (2005)


Article DOI: 10.1021/jm050532w
BindingDB Entry DOI: 10.7270/Q26T0JXG
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM20162
PNG
(1-ethyl-3-phenyl-4-(phenylamino)-2,5-dihydro-1H-py...)
Show SMILES CCN1C(=O)C(Nc2ccccc2)=C(C1=O)c1ccccc1 |c:13|
Show InChI InChI=1S/C18H16N2O2/c1-2-20-17(21)15(13-9-5-3-6-10-13)16(18(20)22)19-14-11-7-4-8-12-14/h3-12,19H,2H2,1H3
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n/an/an/an/a 890n/an/a7.522



GlaxoSmithKline



Assay Description
The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...


J Med Chem 48: 5419-22 (2005)


Article DOI: 10.1021/jm050532w
BindingDB Entry DOI: 10.7270/Q26T0JXG
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM20163
PNG
(3-[(4-chlorophenyl)amino]-1-ethyl-4-phenyl-2,5-dih...)
Show SMILES CCN1C(=O)C(Nc2ccc(Cl)cc2)=C(C1=O)c1ccccc1 |c:14|
Show InChI InChI=1S/C18H15ClN2O2/c1-2-21-17(22)15(12-6-4-3-5-7-12)16(18(21)23)20-14-10-8-13(19)9-11-14/h3-11,20H,2H2,1H3
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n/an/an/an/a 725n/an/a7.522



GlaxoSmithKline



Assay Description
The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...


J Med Chem 48: 5419-22 (2005)


Article DOI: 10.1021/jm050532w
BindingDB Entry DOI: 10.7270/Q26T0JXG
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM8293
PNG
(1-methyl-3-phenyl-4-(phenylamino)-2,5-dihydro-1H-p...)
Show SMILES CN1C(=O)C(Nc2ccccc2)=C(C1=O)c1ccccc1 |c:12|
Show InChI InChI=1S/C17H14N2O2/c1-19-16(20)14(12-8-4-2-5-9-12)15(17(19)21)18-13-10-6-3-7-11-13/h2-11,18H,1H3
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n/an/an/an/a 1.59E+3n/an/a7.522



GlaxoSmithKline



Assay Description
The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...


J Med Chem 48: 5419-22 (2005)


Article DOI: 10.1021/jm050532w
BindingDB Entry DOI: 10.7270/Q26T0JXG
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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n/an/an/an/a 20n/an/a7.522



GlaxoSmithKline



Assay Description
The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...


J Med Chem 48: 5419-22 (2005)


Article DOI: 10.1021/jm050532w
BindingDB Entry DOI: 10.7270/Q26T0JXG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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/an/an/a 30n/an/a7.522



GlaxoSmithKline



Assay Description
The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...


J Med Chem 48: 5419-22 (2005)


Article DOI: 10.1021/jm050532w
BindingDB Entry DOI: 10.7270/Q26T0JXG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM20156
PNG
(1-benzyl-3-[(4-methoxyphenyl)amino]-4-phenyl-2,5-d...)
Show SMILES COc1ccc(NC2=C(C(=O)N(Cc3ccccc3)C2=O)c2ccccc2)cc1 |t:7|
Show InChI InChI=1S/C24H20N2O3/c1-29-20-14-12-19(13-15-20)25-22-21(18-10-6-3-7-11-18)23(27)26(24(22)28)16-17-8-4-2-5-9-17/h2-15,25H,16H2,1H3
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n/an/an/an/a 40n/an/a7.522



GlaxoSmithKline



Assay Description
The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...


J Med Chem 48: 5419-22 (2005)


Article DOI: 10.1021/jm050532w
BindingDB Entry DOI: 10.7270/Q26T0JXG
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM20157
PNG
(1-benzyl-3-phenyl-4-(phenylamino)-2,5-dihydro-1H-p...)
Show SMILES O=C1N(Cc2ccccc2)C(=O)C(=C1Nc1ccccc1)c1ccccc1 |c:13|
Show InChI InChI=1S/C23H18N2O2/c26-22-20(18-12-6-2-7-13-18)21(24-19-14-8-3-9-15-19)23(27)25(22)16-17-10-4-1-5-11-17/h1-15,24H,16H2
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n/an/an/an/a 70n/an/a7.522



GlaxoSmithKline



Assay Description
The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...


J Med Chem 48: 5419-22 (2005)


Article DOI: 10.1021/jm050532w
BindingDB Entry DOI: 10.7270/Q26T0JXG
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM20158
PNG
(1-benzyl-3-[(4-chlorophenyl)amino]-4-phenyl-2,5-di...)
Show SMILES Clc1ccc(NC2=C(C(=O)N(Cc3ccccc3)C2=O)c2ccccc2)cc1 |t:6|
Show InChI InChI=1S/C23H17ClN2O2/c24-18-11-13-19(14-12-18)25-21-20(17-9-5-2-6-10-17)22(27)26(23(21)28)15-16-7-3-1-4-8-16/h1-14,25H,15H2
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n/an/an/an/a 110n/an/a7.522



GlaxoSmithKline



Assay Description
The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...


J Med Chem 48: 5419-22 (2005)


Article DOI: 10.1021/jm050532w
BindingDB Entry DOI: 10.7270/Q26T0JXG
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM20159
PNG
(1-ethyl-3-[(4-methoxyphenyl)amino]-4-phenyl-2,5-di...)
Show SMILES CCN1C(=O)C(Nc2ccc(OC)cc2)=C(C1=O)c1ccccc1 |c:15|
Show InChI InChI=1S/C19H18N2O3/c1-3-21-18(22)16(13-7-5-4-6-8-13)17(19(21)23)20-14-9-11-15(24-2)12-10-14/h4-12,20H,3H2,1-2H3
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n/an/an/an/a 200n/an/a7.522



GlaxoSmithKline



Assay Description
The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...


J Med Chem 48: 5419-22 (2005)


Article DOI: 10.1021/jm050532w
BindingDB Entry DOI: 10.7270/Q26T0JXG
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM20160
PNG
(3-[(4-methoxyphenyl)amino]-1,4-diphenyl-2,5-dihydr...)
Show SMILES COc1ccc(cc1)N=C1C(C(=O)N(C1=O)c1ccccc1)c1ccccc1 |w:8.8|
Show InChI InChI=1S/C23H18N2O3/c1-28-19-14-12-17(13-15-19)24-21-20(16-8-4-2-5-9-16)22(26)25(23(21)27)18-10-6-3-7-11-18/h2-15,20H,1H3
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n/an/an/an/a 260n/an/a7.522



GlaxoSmithKline



Assay Description
The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...


J Med Chem 48: 5419-22 (2005)


Article DOI: 10.1021/jm050532w
BindingDB Entry DOI: 10.7270/Q26T0JXG
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM20161
PNG
(3-[(4-methoxyphenyl)amino]-1-methyl-4-phenyl-2,5-d...)
Show SMILES COc1ccc(NC2=C(C(=O)N(C)C2=O)c2ccccc2)cc1 |t:7|
Show InChI InChI=1S/C18H16N2O3/c1-20-17(21)15(12-6-4-3-5-7-12)16(18(20)22)19-13-8-10-14(23-2)11-9-13/h3-11,19H,1-2H3
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n/an/an/an/a 300n/an/a7.522



GlaxoSmithKline



Assay Description
The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...


J Med Chem 48: 5419-22 (2005)


Article DOI: 10.1021/jm050532w
BindingDB Entry DOI: 10.7270/Q26T0JXG
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM20162
PNG
(1-ethyl-3-phenyl-4-(phenylamino)-2,5-dihydro-1H-py...)
Show SMILES CCN1C(=O)C(Nc2ccccc2)=C(C1=O)c1ccccc1 |c:13|
Show InChI InChI=1S/C18H16N2O2/c1-2-20-17(21)15(13-9-5-3-6-10-13)16(18(20)22)19-14-11-7-4-8-12-14/h3-12,19H,2H2,1H3
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n/an/an/an/a 560n/an/a7.522



GlaxoSmithKline



Assay Description
The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...


J Med Chem 48: 5419-22 (2005)


Article DOI: 10.1021/jm050532w
BindingDB Entry DOI: 10.7270/Q26T0JXG
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM20163
PNG
(3-[(4-chlorophenyl)amino]-1-ethyl-4-phenyl-2,5-dih...)
Show SMILES CCN1C(=O)C(Nc2ccc(Cl)cc2)=C(C1=O)c1ccccc1 |c:14|
Show InChI InChI=1S/C18H15ClN2O2/c1-2-21-17(22)15(12-6-4-3-5-7-12)16(18(21)23)20-14-10-8-13(19)9-11-14/h3-11,20H,2H2,1H3
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n/an/an/an/a 575n/an/a7.522



GlaxoSmithKline



Assay Description
The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...


J Med Chem 48: 5419-22 (2005)


Article DOI: 10.1021/jm050532w
BindingDB Entry DOI: 10.7270/Q26T0JXG
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/an/an/a 55n/an/a7.522



GlaxoSmithKline



Assay Description
The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...


J Med Chem 48: 5419-22 (2005)


Article DOI: 10.1021/jm050532w
BindingDB Entry DOI: 10.7270/Q26T0JXG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)