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Compile Data Set for Download or QSAR

Found 136 hits with Last Name = 'halpern' and Initial = 'a'   
Target
(Institution)
LigandTarget
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
Liver X Receptor beta (LXR-beta)


(Homo sapiens (human))
BDBM20024
PNG
(2-{4-[({3-[3-benzoyl-8-(trifluoromethyl)quinolin-4...)
Show SMILES NC(=O)Cc1ccc(CNc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C32H24F3N3O2/c33-32(34,35)27-11-5-10-25-29(26(19-38-30(25)27)31(40)22-6-2-1-3-7-22)23-8-4-9-24(17-23)37-18-21-14-12-20(13-15-21)16-28(36)39/h1-15,17,19,37H,16,18H2,(H2,36,39)
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n/an/a 1.40n/a 316n/an/an/an/a



Wyeth Research



Assay Description
Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...


Bioorg Med Chem 15: 3321-33 (2007)

More data for this
Ligand-Target Pair
Liver X Receptor beta (LXR-beta)


(Homo sapiens (human))
BDBM20015
PNG
(2-[4-({[3-(3-benzyl-8-chloroquinolin-4-yl)phenyl]a...)
Show SMILES OC(=O)Cc1ccc(CNc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(Cl)cccc23)cc1
Show InChI InChI=1S/C31H25ClN2O2/c32-28-11-5-10-27-30(25(20-34-31(27)28)16-21-6-2-1-3-7-21)24-8-4-9-26(18-24)33-19-23-14-12-22(13-15-23)17-29(35)36/h1-15,18,20,33H,16-17,19H2,(H,35,36)
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n/an/a 1.40n/a 23n/an/an/an/a



Wyeth Research



Assay Description
Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...


Bioorg Med Chem 15: 3321-33 (2007)

More data for this
Ligand-Target Pair
Liver X Receptor beta (LXR-beta)


(Homo sapiens (human))
BDBM20001
PNG
(2-{4-[({3-[3-benzyl-8-(trifluoromethyl)quinolin-4-...)
Show SMILES OC(=O)Cc1ccc(CNc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)cc1
Show InChI InChI=1S/C32H25F3N2O2/c33-32(34,35)28-11-5-10-27-30(25(20-37-31(27)28)16-21-6-2-1-3-7-21)24-8-4-9-26(18-24)36-19-23-14-12-22(13-15-23)17-29(38)39/h1-15,18,20,36H,16-17,19H2,(H,38,39)
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n/an/a 1.90n/a 33n/an/a7.44



Wyeth Research



Assay Description
Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...


J Med Chem 49: 6151-4 (2006)

More data for this
Ligand-Target Pair
Liver X Receptor beta (LXR-beta)


(Homo sapiens (human))
BDBM20001
PNG
(2-{4-[({3-[3-benzyl-8-(trifluoromethyl)quinolin-4-...)
Show SMILES OC(=O)Cc1ccc(CNc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)cc1
Show InChI InChI=1S/C32H25F3N2O2/c33-32(34,35)28-11-5-10-27-30(25(20-37-31(27)28)16-21-6-2-1-3-7-21)24-8-4-9-26(18-24)36-19-23-14-12-22(13-15-23)17-29(38)39/h1-15,18,20,36H,16-17,19H2,(H,38,39)
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Wyeth Research



Assay Description
Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...


Bioorg Med Chem 15: 3321-33 (2007)

More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50227157
PNG
(2-(4-((3-(3-benzoyl-8-(trifluoromethyl)quinolin-5-...)
Show SMILES OC(=O)C(CC#C)(CC#C)c1ccc(COc2cccc(c2)-c2ccc(c3ncc(cc23)C(=O)c2ccccc2)C(F)(F)F)cc1
Show InChI InChI=1S/C38H26F3NO4/c1-3-19-37(20-4-2,36(44)45)29-15-13-25(14-16-29)24-46-30-12-8-11-27(21-30)31-17-18-33(38(39,40)41)34-32(31)22-28(23-42-34)35(43)26-9-6-5-7-10-26/h1-2,5-18,21-23H,19-20,24H2,(H,44,45)
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Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at human LXRalpha


Bioorg Med Chem Lett 18: 54-9 (2008)

More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM20000
PNG
(2-(4-{3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl...)
Show SMILES OC(=O)Cc1ccc(COc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)cc1
Show InChI InChI=1S/C32H24F3NO3/c33-32(34,35)28-11-5-10-27-30(25(19-36-31(27)28)16-21-6-2-1-3-7-21)24-8-4-9-26(18-24)39-20-23-14-12-22(13-15-23)17-29(37)38/h1-15,18-19H,16-17,20H2,(H,37,38)
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Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at human LXRbeta


Bioorg Med Chem Lett 18: 54-9 (2008)

More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50227163
PNG
(2-(4-((3-(3-benzoyl-8-(trifluoromethyl)quinolin-5-...)
Show SMILES CC#CCC(C(O)=O)c1ccc(COc2cccc(c2)-c2ccc(c3ncc(cc23)C(=O)c2ccccc2)C(F)(F)F)cc1
Show InChI InChI=1S/C36H26F3NO4/c1-2-3-12-30(35(42)43)24-15-13-23(14-16-24)22-44-28-11-7-10-26(19-28)29-17-18-32(36(37,38)39)33-31(29)20-27(21-40-33)34(41)25-8-5-4-6-9-25/h4-11,13-21,30H,12,22H2,1H3,(H,42,43)
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Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at human LXRbeta


Bioorg Med Chem Lett 18: 54-9 (2008)

More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50227146
PNG
(2-(4-(3-(3-benzyl-8-(trifluoromethyl)quinolin-4-yl...)
Show SMILES Cc1cc(NCc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)c(C)cc1CC(O)=O
Show InChI InChI=1S/C34H29F3N2O2/c1-21-15-30(22(2)14-26(21)18-31(40)41)38-19-24-10-6-11-25(17-24)32-27(16-23-8-4-3-5-9-23)20-39-33-28(32)12-7-13-29(33)34(35,36)37/h3-15,17,20,38H,16,18-19H2,1-2H3,(H,40,41)
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Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at human LXRbeta


Bioorg Med Chem Lett 18: 54-9 (2008)

More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50227161
PNG
(2-(4-(3-(3-benzyl-8-(trifluoromethyl)quinolin-4-yl...)
Show SMILES OC(=O)Cc1ccc(NCc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)c2ccccc12
Show InChI InChI=1S/C36H27F3N2O2/c37-36(38,39)31-15-7-14-30-34(27(22-41-35(30)31)18-23-8-2-1-3-9-23)26-11-6-10-24(19-26)21-40-32-17-16-25(20-33(42)43)28-12-4-5-13-29(28)32/h1-17,19,22,40H,18,20-21H2,(H,42,43)
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Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at human LXRbeta


Bioorg Med Chem Lett 18: 54-9 (2008)

More data for this
Ligand-Target Pair
Liver X Receptor beta (LXR-beta)


(Homo sapiens (human))
BDBM20000
PNG
(2-(4-{3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl...)
Show SMILES OC(=O)Cc1ccc(COc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)cc1
Show InChI InChI=1S/C32H24F3NO3/c33-32(34,35)28-11-5-10-27-30(25(19-36-31(27)28)16-21-6-2-1-3-7-21)24-8-4-9-26(18-24)39-20-23-14-12-22(13-15-23)17-29(37)38/h1-15,18-19H,16-17,20H2,(H,37,38)
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n/an/a 2.10n/a 71n/an/a7.44



Wyeth Research



Assay Description
Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...


J Med Chem 49: 6151-4 (2006)

More data for this
Ligand-Target Pair
Liver X Receptor beta (LXR-beta)


(Homo sapiens (human))
BDBM20004
PNG
(2-{4-[({3-[3-benzoyl-8-(trifluoromethyl)quinolin-4...)
Show SMILES OC(=O)Cc1ccc(CNc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C32H23F3N2O3/c33-32(34,35)27-11-5-10-25-29(26(19-37-30(25)27)31(40)22-6-2-1-3-7-22)23-8-4-9-24(17-23)36-18-21-14-12-20(13-15-21)16-28(38)39/h1-15,17,19,36H,16,18H2,(H,38,39)
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n/an/a 2.40n/a 29n/an/an/an/a



Wyeth Research



Assay Description
Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...


Bioorg Med Chem 15: 3321-33 (2007)

More data for this
Ligand-Target Pair
Liver X Receptor beta (LXR-beta)


(Homo sapiens (human))
BDBM20020
PNG
(2-{4-[({3-[3-benzoyl-8-(trifluoromethyl)quinolin-4...)
Show SMILES CC(C(O)=O)c1ccc(CNc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C33H25F3N2O3/c1-20(32(40)41)22-15-13-21(14-16-22)18-37-25-10-5-9-24(17-25)29-26-11-6-12-28(33(34,35)36)30(26)38-19-27(29)31(39)23-7-3-2-4-8-23/h2-17,19-20,37H,18H2,1H3,(H,40,41)
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n/an/a 2.60n/a 58n/an/an/an/a



Wyeth Research



Assay Description
Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...


Bioorg Med Chem 15: 3321-33 (2007)

More data for this
Ligand-Target Pair
Liver X Receptor beta (LXR-beta)


(Homo sapiens (human))
BDBM20014
PNG
(2-[4-({[3-(3-benzoyl-8-chloroquinolin-4-yl)phenyl]...)
Show SMILES OC(=O)Cc1ccc(CNc2cccc(c2)-c2c(cnc3c(Cl)cccc23)C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C31H23ClN2O3/c32-27-11-5-10-25-29(26(19-34-30(25)27)31(37)22-6-2-1-3-7-22)23-8-4-9-24(17-23)33-18-21-14-12-20(13-15-21)16-28(35)36/h1-15,17,19,33H,16,18H2,(H,35,36)
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n/an/a 2.70n/a 39n/an/an/an/a



Wyeth Research



Assay Description
Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...


Bioorg Med Chem 15: 3321-33 (2007)

More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50227156
PNG
(2-(4-((3-(3-benzyl-8-(trifluoromethyl)quinolin-4-y...)
Show SMILES Cc1cc(CC(O)=O)c(C)cc1COc1cccc(c1)-c1c(Cc2ccccc2)cnc2c(cccc12)C(F)(F)F
Show InChI InChI=1S/C34H28F3NO3/c1-21-15-27(22(2)14-25(21)18-31(39)40)20-41-28-11-6-10-24(17-28)32-26(16-23-8-4-3-5-9-23)19-38-33-29(32)12-7-13-30(33)34(35,36)37/h3-15,17,19H,16,18,20H2,1-2H3,(H,39,40)
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Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at human LXRbeta


Bioorg Med Chem Lett 18: 54-9 (2008)

More data for this
Ligand-Target Pair
Liver X Receptor beta (LXR-beta)


(Homo sapiens (human))
BDBM20006
PNG
(2-{4-[({3-[3-phenyl-8-(trifluoromethyl)quinolin-4-...)
Show SMILES OC(=O)Cc1ccc(CNc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)-c2ccccc2)cc1
Show InChI InChI=1S/C31H23F3N2O2/c32-31(33,34)27-11-5-10-25-29(26(19-36-30(25)27)22-6-2-1-3-7-22)23-8-4-9-24(17-23)35-18-21-14-12-20(13-15-21)16-28(37)38/h1-15,17,19,35H,16,18H2,(H,37,38)
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Wyeth Research



Assay Description
Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...


Bioorg Med Chem 15: 3321-33 (2007)

More data for this
Ligand-Target Pair
Liver X Receptor beta (LXR-beta)


(Homo sapiens (human))
BDBM20021
PNG
(2-{4-[({3-[3-benzoyl-8-(trifluoromethyl)quinolin-4...)
Show SMILES CC(C)(C(O)=O)c1ccc(CNc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C34H27F3N2O3/c1-33(2,32(41)42)24-16-14-21(15-17-24)19-38-25-11-6-10-23(18-25)29-26-12-7-13-28(34(35,36)37)30(26)39-20-27(29)31(40)22-8-4-3-5-9-22/h3-18,20,38H,19H2,1-2H3,(H,41,42)
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Wyeth Research



Assay Description
Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...


Bioorg Med Chem 15: 3321-33 (2007)

More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50227158
PNG
(2-(4-(3-(3-benzyl-8-(trifluoromethyl)quinolin-4-yl...)
Show SMILES Cc1cc(OCc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)c(C)cc1CC(O)=O
Show InChI InChI=1S/C34H28F3NO3/c1-21-15-30(22(2)14-26(21)18-31(39)40)41-20-24-10-6-11-25(17-24)32-27(16-23-8-4-3-5-9-23)19-38-33-28(32)12-7-13-29(33)34(35,36)37/h3-15,17,19H,16,18,20H2,1-2H3,(H,39,40)
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Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at human LXRbeta


Bioorg Med Chem Lett 18: 54-9 (2008)

More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50227159
PNG
(2-(4-(3-(3-benzyl-8-(trifluoromethyl)quinolin-4-yl...)
Show SMILES Cc1c(C)c(NCc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)ccc1CC(O)=O
Show InChI InChI=1S/C34H29F3N2O2/c1-21-22(2)30(15-14-25(21)18-31(40)41)38-19-24-10-6-11-26(17-24)32-27(16-23-8-4-3-5-9-23)20-39-33-28(32)12-7-13-29(33)34(35,36)37/h3-15,17,20,38H,16,18-19H2,1-2H3,(H,40,41)
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Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at human LXRbeta


Bioorg Med Chem Lett 18: 54-9 (2008)

More data for this
Ligand-Target Pair
Liver X Receptor beta (LXR-beta)


(Homo sapiens (human))
BDBM20005
PNG
(2-{4-[({3-[3-methyl-8-(trifluoromethyl)quinolin-4-...)
Show SMILES Cc1cnc2c(cccc2c1-c1cccc(NCc2ccc(CC(O)=O)cc2)c1)C(F)(F)F
Show InChI InChI=1S/C26H21F3N2O2/c1-16-14-31-25-21(6-3-7-22(25)26(27,28)29)24(16)19-4-2-5-20(13-19)30-15-18-10-8-17(9-11-18)12-23(32)33/h2-11,13-14,30H,12,15H2,1H3,(H,32,33)
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Wyeth Research



Assay Description
Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...


Bioorg Med Chem 15: 3321-33 (2007)

More data for this
Ligand-Target Pair
Liver X Receptor beta (LXR-beta)


(Homo sapiens (human))
BDBM19999
PNG
(2-(4-{3-[3-benzoyl-8-(trifluoromethyl)quinolin-4-y...)
Show SMILES OC(=O)Cc1ccc(COc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C32H22F3NO4/c33-32(34,35)27-11-5-10-25-29(26(18-36-30(25)27)31(39)22-6-2-1-3-7-22)23-8-4-9-24(17-23)40-19-21-14-12-20(13-15-21)16-28(37)38/h1-15,17-18H,16,19H2,(H,37,38)
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n/an/a 5n/a 143n/an/a7.44



Wyeth Research



Assay Description
Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...


J Med Chem 49: 6151-4 (2006)

More data for this
Ligand-Target Pair
Liver X Receptor alpha (LXR-alpha)


(Homo sapiens (human))
BDBM20015
PNG
(2-[4-({[3-(3-benzyl-8-chloroquinolin-4-yl)phenyl]a...)
Show SMILES OC(=O)Cc1ccc(CNc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(Cl)cccc23)cc1
Show InChI InChI=1S/C31H25ClN2O2/c32-28-11-5-10-27-30(25(20-34-31(27)28)16-21-6-2-1-3-7-21)24-8-4-9-26(18-24)33-19-23-14-12-22(13-15-23)17-29(35)36/h1-15,18,20,33H,16-17,19H2,(H,35,36)
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n/an/a 5n/an/an/an/a7.44



Wyeth Research



Assay Description
Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...


Bioorg Med Chem 15: 3321-33 (2007)

More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50227160
PNG
(2-(4-((3-(3-benzoyl-8-(trifluoromethyl)quinolin-5-...)
Show SMILES OC(=O)C(CC=C)c1ccc(COc2cccc(c2)-c2ccc(c3ncc(cc23)C(=O)c2ccccc2)C(F)(F)F)cc1
Show InChI InChI=1S/C35H26F3NO4/c1-2-7-29(34(41)42)23-14-12-22(13-15-23)21-43-27-11-6-10-25(18-27)28-16-17-31(35(36,37)38)32-30(28)19-26(20-39-32)33(40)24-8-4-3-5-9-24/h2-6,8-20,29H,1,7,21H2,(H,41,42)
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n/an/a 5n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at human LXRbeta


Bioorg Med Chem Lett 18: 54-9 (2008)

More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50227162
PNG
(2-(4-((3-(3-benzoyl-8-(trifluoromethyl)quinolin-5-...)
Show SMILES OC(=O)Cc1ccc(COc2cccc(c2)-c2ccc(c3ncc(cc23)C(=O)c2ccccc2)C(F)(F)F)cc1
Show InChI InChI=1S/C32H22F3NO4/c33-32(34,35)28-14-13-26(27-17-24(18-36-30(27)28)31(39)22-5-2-1-3-6-22)23-7-4-8-25(16-23)40-19-21-11-9-20(10-12-21)15-29(37)38/h1-14,16-18H,15,19H2,(H,37,38)
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n/an/a 5n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at human LXRbeta


Bioorg Med Chem Lett 18: 54-9 (2008)

More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50227151
PNG
(2-(5-(3-(3-benzyl-8-(trifluoromethyl)quinolin-4-yl...)
Show SMILES OC(=O)Cc1cccc2c(NCc3cccc(c3)-c3c(Cc4ccccc4)cnc4c(cccc34)C(F)(F)F)cccc12
Show InChI InChI=1S/C36H27F3N2O2/c37-36(38,39)31-16-6-15-30-34(27(22-41-35(30)31)18-23-8-2-1-3-9-23)26-12-4-10-24(19-26)21-40-32-17-7-13-28-25(20-33(42)43)11-5-14-29(28)32/h1-17,19,22,40H,18,20-21H2,(H,42,43)
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Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at human LXRbeta


Bioorg Med Chem Lett 18: 54-9 (2008)

More data for this
Ligand-Target Pair
Liver X Receptor beta (LXR-beta)


(Homo sapiens (human))
BDBM20011
PNG
(2-[4-({[3-(3-benzyl-8-methylquinolin-4-yl)phenyl]a...)
Show SMILES Cc1cccc2c(c(Cc3ccccc3)cnc12)-c1cccc(NCc2ccc(CC(O)=O)cc2)c1
Show InChI InChI=1S/C32H28N2O2/c1-22-7-5-12-29-31(27(21-34-32(22)29)17-23-8-3-2-4-9-23)26-10-6-11-28(19-26)33-20-25-15-13-24(14-16-25)18-30(35)36/h2-16,19,21,33H,17-18,20H2,1H3,(H,35,36)
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Wyeth Research



Assay Description
Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...


Bioorg Med Chem 15: 3321-33 (2007)

More data for this
Ligand-Target Pair
Liver X Receptor beta (LXR-beta)


(Homo sapiens (human))
BDBM20025
PNG
(2-{4-[({3-[3-benzoyl-8-(trifluoromethyl)quinolin-4...)
Show SMILES OCCc1ccc(CNc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C32H25F3N2O2/c33-32(34,35)28-11-5-10-26-29(27(20-37-30(26)28)31(39)23-6-2-1-3-7-23)24-8-4-9-25(18-24)36-19-22-14-12-21(13-15-22)16-17-38/h1-15,18,20,36,38H,16-17,19H2
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n/an/a 5.40n/a 795n/an/an/an/a



Wyeth Research



Assay Description
Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...


Bioorg Med Chem 15: 3321-33 (2007)

More data for this
Ligand-Target Pair
Liver X Receptor beta (LXR-beta)


(Homo sapiens (human))
BDBM20010
PNG
(2-[4-({[3-(3-benzoyl-8-methylquinolin-4-yl)phenyl]...)
Show SMILES Cc1cccc2c(-c3cccc(NCc4ccc(CC(O)=O)cc4)c3)c(cnc12)C(=O)c1ccccc1
Show InChI InChI=1S/C32H26N2O3/c1-21-7-5-12-27-30(28(20-34-31(21)27)32(37)24-8-3-2-4-9-24)25-10-6-11-26(18-25)33-19-23-15-13-22(14-16-23)17-29(35)36/h2-16,18,20,33H,17,19H2,1H3,(H,35,36)
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n/an/a 5.5n/a 61n/an/an/an/a



Wyeth Research



Assay Description
Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...


Bioorg Med Chem 15: 3321-33 (2007)

More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50227163
PNG
(2-(4-((3-(3-benzoyl-8-(trifluoromethyl)quinolin-5-...)
Show SMILES CC#CCC(C(O)=O)c1ccc(COc2cccc(c2)-c2ccc(c3ncc(cc23)C(=O)c2ccccc2)C(F)(F)F)cc1
Show InChI InChI=1S/C36H26F3NO4/c1-2-3-12-30(35(42)43)24-15-13-23(14-16-24)22-44-28-11-7-10-26(19-28)29-17-18-32(36(37,38)39)33-31(29)20-27(21-40-33)34(41)25-8-5-4-6-9-25/h4-11,13-21,30H,12,22H2,1H3,(H,42,43)
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n/an/a 6n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at human LXRalpha


Bioorg Med Chem Lett 18: 54-9 (2008)

More data for this
Ligand-Target Pair
Liver X Receptor beta (LXR-beta)


(Homo sapiens (human))
BDBM20016
PNG
(2-{3-[({3-[3-benzoyl-8-(trifluoromethyl)quinolin-4...)
Show SMILES OC(=O)Cc1cccc(CNc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(=O)c2ccccc2)c1
Show InChI InChI=1S/C32H23F3N2O3/c33-32(34,35)27-14-6-13-25-29(26(19-37-30(25)27)31(40)22-9-2-1-3-10-22)23-11-5-12-24(17-23)36-18-21-8-4-7-20(15-21)16-28(38)39/h1-15,17,19,36H,16,18H2,(H,38,39)
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n/an/a 6n/a 141n/an/an/an/a



Wyeth Research



Assay Description
Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...


Bioorg Med Chem 15: 3321-33 (2007)

More data for this
Ligand-Target Pair
Liver X Receptor beta (LXR-beta)


(Homo sapiens (human))
BDBM20002
PNG
(2-{4-[({3-[3-benzyl-8-(trifluoromethyl)quinolin-4-...)
Show SMILES OC(=O)Cc1ccc(NCc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)cc1
Show InChI InChI=1S/C32H25F3N2O2/c33-32(34,35)28-11-5-10-27-30(25(20-37-31(27)28)16-21-6-2-1-3-7-21)24-9-4-8-23(17-24)19-36-26-14-12-22(13-15-26)18-29(38)39/h1-15,17,20,36H,16,18-19H2,(H,38,39)
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n/an/a 7n/an/an/an/a7.44



Wyeth Research



Assay Description
Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...


J Med Chem 49: 6151-4 (2006)

More data for this
Ligand-Target Pair
Liver X Receptor alpha (LXR-alpha)


(Homo sapiens (human))
BDBM20004
PNG
(2-{4-[({3-[3-benzoyl-8-(trifluoromethyl)quinolin-4...)
Show SMILES OC(=O)Cc1ccc(CNc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C32H23F3N2O3/c33-32(34,35)27-11-5-10-25-29(26(19-37-30(25)27)31(40)22-6-2-1-3-7-22)23-8-4-9-24(17-23)36-18-21-14-12-20(13-15-21)16-28(38)39/h1-15,17,19,36H,16,18H2,(H,38,39)
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n/an/a 7n/an/an/an/a7.44



Wyeth Research



Assay Description
Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...


Bioorg Med Chem 15: 3321-33 (2007)

More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM20002
PNG
(2-{4-[({3-[3-benzyl-8-(trifluoromethyl)quinolin-4-...)
Show SMILES OC(=O)Cc1ccc(NCc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)cc1
Show InChI InChI=1S/C32H25F3N2O2/c33-32(34,35)28-11-5-10-27-30(25(20-37-31(27)28)16-21-6-2-1-3-7-21)24-9-4-8-23(17-24)19-36-26-14-12-22(13-15-26)18-29(38)39/h1-15,17,20,36H,16,18-19H2,(H,38,39)
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n/an/a 7n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at human LXRbeta


Bioorg Med Chem Lett 18: 54-9 (2008)

More data for this
Ligand-Target Pair
Liver X Receptor alpha (LXR-alpha)


(Homo sapiens (human))
BDBM20001
PNG
(2-{4-[({3-[3-benzyl-8-(trifluoromethyl)quinolin-4-...)
Show SMILES OC(=O)Cc1ccc(CNc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)cc1
Show InChI InChI=1S/C32H25F3N2O2/c33-32(34,35)28-11-5-10-27-30(25(20-37-31(27)28)16-21-6-2-1-3-7-21)24-8-4-9-26(18-24)36-19-23-14-12-22(13-15-23)17-29(38)39/h1-15,18,20,36H,16-17,19H2,(H,38,39)
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n/an/a 7.60n/an/an/an/a7.44



Wyeth Research



Assay Description
Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...


J Med Chem 49: 6151-4 (2006)

More data for this
Ligand-Target Pair
Liver X Receptor alpha (LXR-alpha)


(Homo sapiens (human))
BDBM20001
PNG
(2-{4-[({3-[3-benzyl-8-(trifluoromethyl)quinolin-4-...)
Show SMILES OC(=O)Cc1ccc(CNc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)cc1
Show InChI InChI=1S/C32H25F3N2O2/c33-32(34,35)28-11-5-10-27-30(25(20-37-31(27)28)16-21-6-2-1-3-7-21)24-8-4-9-26(18-24)36-19-23-14-12-22(13-15-23)17-29(38)39/h1-15,18,20,36H,16-17,19H2,(H,38,39)
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n/an/a 7.60n/an/an/an/a7.44



Wyeth Research



Assay Description
Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...


Bioorg Med Chem 15: 3321-33 (2007)

More data for this
Ligand-Target Pair
Liver X Receptor beta (LXR-beta)


(Homo sapiens (human))
BDBM20023
PNG
(2-{4-[({3-[3-benzoyl-8-(trifluoromethyl)quinolin-4...)
Show SMILES OC(=O)C(F)(F)c1ccc(CNc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C32H21F5N2O3/c33-31(34,30(41)42)22-14-12-19(13-15-22)17-38-23-9-4-8-21(16-23)27-24-10-5-11-26(32(35,36)37)28(24)39-18-25(27)29(40)20-6-2-1-3-7-20/h1-16,18,38H,17H2,(H,41,42)
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n/an/a 7.80n/a 2.40E+3n/an/an/an/a



Wyeth Research



Assay Description
Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...


Bioorg Med Chem 15: 3321-33 (2007)

More data for this
Ligand-Target Pair
Liver X Receptor alpha (LXR-alpha)


(Homo sapiens (human))
BDBM20006
PNG
(2-{4-[({3-[3-phenyl-8-(trifluoromethyl)quinolin-4-...)
Show SMILES OC(=O)Cc1ccc(CNc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)-c2ccccc2)cc1
Show InChI InChI=1S/C31H23F3N2O2/c32-31(33,34)27-11-5-10-25-29(26(19-36-30(25)27)22-6-2-1-3-7-22)23-8-4-9-24(17-23)35-18-21-14-12-20(13-15-21)16-28(37)38/h1-15,17,19,35H,16,18H2,(H,37,38)
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n/an/a 8n/an/an/an/a7.44



Wyeth Research



Assay Description
Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...


Bioorg Med Chem 15: 3321-33 (2007)

More data for this
Ligand-Target Pair
Liver X Receptor beta (LXR-beta)


(Homo sapiens (human))
BDBM20022
PNG
(2-{4-[({3-[3-benzoyl-8-(trifluoromethyl)quinolin-4...)
Show SMILES OC(C(O)=O)c1ccc(CNc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C32H23F3N2O4/c33-32(34,35)26-11-5-10-24-27(25(18-37-28(24)26)29(38)20-6-2-1-3-7-20)22-8-4-9-23(16-22)36-17-19-12-14-21(15-13-19)30(39)31(40)41/h1-16,18,30,36,39H,17H2,(H,40,41)
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Wyeth Research



Assay Description
Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...


Bioorg Med Chem 15: 3321-33 (2007)

More data for this
Ligand-Target Pair
Liver X Receptor alpha (LXR-alpha)


(Homo sapiens (human))
BDBM20014
PNG
(2-[4-({[3-(3-benzoyl-8-chloroquinolin-4-yl)phenyl]...)
Show SMILES OC(=O)Cc1ccc(CNc2cccc(c2)-c2c(cnc3c(Cl)cccc23)C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C31H23ClN2O3/c32-27-11-5-10-25-29(26(19-34-30(25)27)31(37)22-6-2-1-3-7-22)23-8-4-9-24(17-23)33-18-21-14-12-20(13-15-21)16-28(35)36/h1-15,17,19,33H,16,18H2,(H,35,36)
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Wyeth Research



Assay Description
Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...


Bioorg Med Chem 15: 3321-33 (2007)

More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(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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PubMed
n/an/a 9n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at human LXRbeta


Bioorg Med Chem Lett 18: 54-9 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Liver X Receptor alpha (LXR-alpha)


(Homo sapiens (human))
BDBM20000
PNG
(2-(4-{3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl...)
Show SMILES OC(=O)Cc1ccc(COc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)cc1
Show InChI InChI=1S/C32H24F3NO3/c33-32(34,35)28-11-5-10-27-30(25(19-36-31(27)28)16-21-6-2-1-3-7-21)24-8-4-9-26(18-24)39-20-23-14-12-22(13-15-23)17-29(37)38/h1-15,18-19H,16-17,20H2,(H,37,38)
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PubMed
n/an/a 9.5n/an/an/an/a7.44



Wyeth Research



Assay Description
Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...


J Med Chem 49: 6151-4 (2006)

More data for this
Ligand-Target Pair
Liver X Receptor alpha (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 10n/an/an/an/a7.44



Wyeth Research



Assay Description
Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...


J Med Chem 49: 6151-4 (2006)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Liver X Receptor beta (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 10n/a 16n/an/a7.44



Wyeth Research



Assay Description
Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...


J Med Chem 49: 6151-4 (2006)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM20000
PNG
(2-(4-{3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl...)
Show SMILES OC(=O)Cc1ccc(COc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)cc1
Show InChI InChI=1S/C32H24F3NO3/c33-32(34,35)28-11-5-10-27-30(25(19-36-31(27)28)16-21-6-2-1-3-7-21)24-8-4-9-26(18-24)39-20-23-14-12-22(13-15-23)17-29(37)38/h1-15,18-19H,16-17,20H2,(H,37,38)
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n/an/a 10n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at human LXRalpha


Bioorg Med Chem Lett 18: 54-9 (2008)

More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50227154
PNG
(2-(4-((3-(3-benzoyl-8-(trifluoromethyl)quinolin-5-...)
Show SMILES CCC#CCC(C(O)=O)c1ccc(COc2cccc(c2)-c2ccc(c3ncc(cc23)C(=O)c2ccccc2)C(F)(F)F)cc1
Show InChI InChI=1S/C37H28F3NO4/c1-2-3-5-13-31(36(43)44)25-16-14-24(15-17-25)23-45-29-12-8-11-27(20-29)30-18-19-33(37(38,39)40)34-32(30)21-28(22-41-34)35(42)26-9-6-4-7-10-26/h4,6-12,14-22,31H,2,13,23H2,1H3,(H,43,44)
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n/an/a 10n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at human LXRbeta


Bioorg Med Chem Lett 18: 54-9 (2008)

More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50227145
PNG
(2-(5-((3-(3-methyl-8-(trifluoromethyl)quinolin-4-y...)
Show SMILES Cc1cnc2c(cccc2c1-c1cccc(CNc2cccc3c(CC(O)=O)cccc23)c1)C(F)(F)F
Show InChI InChI=1S/C30H23F3N2O2/c1-18-16-35-29-24(11-4-12-25(29)30(31,32)33)28(18)21-8-2-6-19(14-21)17-34-26-13-5-9-22-20(15-27(36)37)7-3-10-23(22)26/h2-14,16,34H,15,17H2,1H3,(H,36,37)
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n/an/a 10n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at human LXRbeta


Bioorg Med Chem Lett 18: 54-9 (2008)

More data for this
Ligand-Target Pair
Liver X Receptor alpha (LXR-alpha)


(Homo sapiens (human))
BDBM20024
PNG
(2-{4-[({3-[3-benzoyl-8-(trifluoromethyl)quinolin-4...)
Show SMILES NC(=O)Cc1ccc(CNc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C32H24F3N3O2/c33-32(34,35)27-11-5-10-25-29(26(19-38-30(25)27)31(40)22-6-2-1-3-7-22)23-8-4-9-24(17-23)37-18-21-14-12-20(13-15-21)16-28(36)39/h1-15,17,19,37H,16,18H2,(H2,36,39)
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n/an/a 11n/an/an/an/a7.44



Wyeth Research



Assay Description
Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...


Bioorg Med Chem 15: 3321-33 (2007)

More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50227156
PNG
(2-(4-((3-(3-benzyl-8-(trifluoromethyl)quinolin-4-y...)
Show SMILES Cc1cc(CC(O)=O)c(C)cc1COc1cccc(c1)-c1c(Cc2ccccc2)cnc2c(cccc12)C(F)(F)F
Show InChI InChI=1S/C34H28F3NO3/c1-21-15-27(22(2)14-25(21)18-31(39)40)20-41-28-11-6-10-24(17-28)32-26(16-23-8-4-3-5-9-23)19-38-33-29(32)12-7-13-30(33)34(35,36)37/h3-15,17,19H,16,18,20H2,1-2H3,(H,39,40)
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n/an/a 11n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at human LXRalpha


Bioorg Med Chem Lett 18: 54-9 (2008)

More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50227152
PNG
(2-(5-(3-(3-benzyl-8-(trifluoromethyl)quinolin-4-yl...)
Show SMILES OC(=O)Cc1cccc2c(OCc3cccc(c3)-c3c(Cc4ccccc4)cnc4c(cccc34)C(F)(F)F)cccc12
Show InChI InChI=1S/C36H26F3NO3/c37-36(38,39)31-16-6-15-30-34(27(21-40-35(30)31)18-23-8-2-1-3-9-23)26-12-4-10-24(19-26)22-43-32-17-7-13-28-25(20-33(41)42)11-5-14-29(28)32/h1-17,19,21H,18,20,22H2,(H,41,42)
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n/an/a 11n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at human LXRbeta


Bioorg Med Chem Lett 18: 54-9 (2008)

More data for this
Ligand-Target Pair
Liver X Receptor beta (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/a 12n/a 410n/an/a7.44



Wyeth Research



Assay Description
Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...


J Med Chem 49: 6151-4 (2006)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Liver X Receptor beta (LXR-beta)


(Homo sapiens (human))
BDBM20017
PNG
(2-{4-[({3-[3-benzoyl-8-(trifluoromethyl)quinolin-4...)
Show SMILES OC(=O)COc1ccc(CNc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C32H23F3N2O4/c33-32(34,35)27-11-5-10-25-29(26(18-37-30(25)27)31(40)21-6-2-1-3-7-21)22-8-4-9-23(16-22)36-17-20-12-14-24(15-13-20)41-19-28(38)39/h1-16,18,36H,17,19H2,(H,38,39)
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n/an/a 12n/a 1.27E+3n/an/an/an/a



Wyeth Research



Assay Description
Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...


Bioorg Med Chem 15: 3321-33 (2007)

More data for this
Ligand-Target Pair
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