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Compile Data Set for Download or QSAR

Found 78 hits of ec50 data for polymerid = 2042   
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))
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 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 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 9n/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 LXRbeta coated flash plates. Each concentration of ...


Bioorg Med Chem 17: 8086-92 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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/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))
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/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))
BDBM35089
PNG
(biarylether alcohol quinoline, 5b)
Show SMILES CC(C)(O)c1cccc(Oc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)c1
Show InChI InChI=1S/C32H26F3NO2/c1-31(2,37)24-12-7-14-26(19-24)38-25-13-6-11-22(18-25)29-23(17-21-9-4-3-5-10-21)20-36-30-27(29)15-8-16-28(30)32(33,34)35/h3-16,18-20,37H,17H2,1-2H3
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n/an/a 3.30n/a 31n/an/a7.44



Wyeth Research



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


Bioorg Med Chem 17: 8086-92 (2009)

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...


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))
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/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))
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 3.70n/a 44n/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))
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/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))
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/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))
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 LXRbeta coated flash plates. Each concentration of ...


Bioorg Med Chem 17: 8086-92 (2009)

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))
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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n/an/a 3.80n/a 78n/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))
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 2n/a 90n/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 51: 7161-8 (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))
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...


J Med Chem 51: 7161-8 (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 93n/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 17: 1663-70 (2009)

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


(Homo sapiens (human))
BDBM35105
PNG
(biarylether amide quinoline, 4e)
Show SMILES FC(F)(F)c1cccc2c(c(Cc3ccccc3)cnc12)-c1cccc(Oc2cccc(c2)C(=O)N2CCCC2)c1
Show InChI InChI=1S/C34H27F3N2O2/c35-34(36,37)30-16-8-15-29-31(26(22-38-32(29)30)19-23-9-2-1-3-10-23)24-11-6-13-27(20-24)41-28-14-7-12-25(21-28)33(40)39-17-4-5-18-39/h1-3,6-16,20-22H,4-5,17-19H2
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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 17: 1663-70 (2009)

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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n/an/a 4.30n/a 100n/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))
BDBM35099
PNG
(biarylether alcohol quinoline, 5i)
Show SMILES Cc1cnc2c(Cl)cccc2c1-c1cccc(Oc2cccc(c2)C(C)(C)O)c1
Show InChI InChI=1S/C25H22ClNO2/c1-16-15-27-24-21(11-6-12-22(24)26)23(16)17-7-4-9-19(13-17)29-20-10-5-8-18(14-20)25(2,3)28/h4-15,28H,1-3H3
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n/an/a 2.5n/a 108n/an/a7.44



Wyeth Research



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


Bioorg Med Chem 17: 8086-92 (2009)

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


(Homo sapiens (human))
BDBM35107
PNG
(biarylether amide quinoline, 4g)
Show SMILES FC(F)(F)c1cccc2c(c(Cc3ccccc3)cnc12)-c1cccc(Oc2cccc(c2)C(=O)N2CCOCC2)c1
Show InChI InChI=1S/C34H27F3N2O3/c35-34(36,37)30-14-6-13-29-31(26(22-38-32(29)30)19-23-7-2-1-3-8-23)24-9-4-11-27(20-24)42-28-12-5-10-25(21-28)33(40)39-15-17-41-18-16-39/h1-14,20-22H,15-19H2
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n/an/a 1.90n/a 138n/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 17: 1663-70 (2009)

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/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))
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 beta (LXR-beta)


(Homo sapiens (human))
BDBM35104
PNG
(biarylether amide quinoline, 4d)
Show SMILES CCN(CC)C(=O)c1cccc(Oc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)c1
Show InChI InChI=1S/C34H29F3N2O2/c1-3-39(4-2)33(40)25-14-9-16-28(21-25)41-27-15-8-13-24(20-27)31-26(19-23-11-6-5-7-12-23)22-38-32-29(31)17-10-18-30(32)34(35,36)37/h5-18,20-22H,3-4,19H2,1-2H3
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n/an/a 2.80n/a 144n/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 17: 1663-70 (2009)

More data for this
Ligand-Target Pair
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 9n/a 170n/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 51: 7161-8 (2008)

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


(Homo sapiens (human))
BDBM35106
PNG
(biarylether amide quinoline, 4f)
Show SMILES FC(F)(F)c1cccc2c(c(Cc3ccccc3)cnc12)-c1cccc(Oc2cccc(c2)C(=O)N2CCCCC2)c1
Show InChI InChI=1S/C35H29F3N2O2/c36-35(37,38)31-17-9-16-30-32(27(23-39-33(30)31)20-24-10-3-1-4-11-24)25-12-7-14-28(21-25)42-29-15-8-13-26(22-29)34(41)40-18-5-2-6-19-40/h1,3-4,7-17,21-23H,2,5-6,18-20H2
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n/an/a 2.90n/a 170n/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 17: 1663-70 (2009)

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


(Homo sapiens (human))
BDBM19995
PNG
(4-{3-[3-benzoyl-8-(trifluoromethyl)quinolin-4-yl]p...)
Show SMILES OC(=O)c1ccc(COc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C31H20F3NO4/c32-31(33,34)26-11-5-10-24-27(25(17-35-28(24)26)29(36)20-6-2-1-3-7-20)22-8-4-9-23(16-22)39-18-19-12-14-21(15-13-19)30(37)38/h1-17H,18H2,(H,37,38)
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n/an/a 67n/a 186n/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))
BDBM35090
PNG
(biarylether alcohol quinoline, 5c)
Show SMILES OCc1cccc(Oc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)-c2ccccc2)c1
Show InChI InChI=1S/C29H20F3NO2/c30-29(31,32)26-14-6-13-24-27(25(17-33-28(24)26)20-8-2-1-3-9-20)21-10-5-12-23(16-21)35-22-11-4-7-19(15-22)18-34/h1-17,34H,18H2
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n/an/a 14n/a 210n/an/a7.44



Wyeth Research



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


Bioorg Med Chem 17: 8086-92 (2009)

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


(Homo sapiens (human))
BDBM35094
PNG
(biarylether alcohol quinoline, 5f)
Show SMILES Cc1cnc2c(cccc2c1-c1cccc(Oc2cccc(CO)c2)c1)C(F)(F)F
Show InChI InChI=1S/C24H18F3NO2/c1-15-13-28-23-20(9-4-10-21(23)24(25,26)27)22(15)17-6-3-8-19(12-17)30-18-7-2-5-16(11-18)14-29/h2-13,29H,14H2,1H3
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n/an/a 2.10n/a 233n/an/a7.44



Wyeth Research



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


Bioorg Med Chem 17: 8086-92 (2009)

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


(Homo sapiens (human))
BDBM20029
PNG
((5Z)-5-({4-[({3-[3-benzoyl-8-(trifluoromethyl)quin...)
Show SMILES FC(F)(F)c1cccc2c(-c3cccc(NCc4ccc(\C=C5/SC(=S)NC5=O)cc4)c3)c(cnc12)C(=O)c1ccccc1
Show InChI InChI=1S/C34H22F3N3O2S2/c35-34(36,37)27-11-5-10-25-29(26(19-39-30(25)27)31(41)22-6-2-1-3-7-22)23-8-4-9-24(17-23)38-18-21-14-12-20(13-15-21)16-28-32(42)40-33(43)44-28/h1-17,19,38H,18H2,(H,40,42,43)/b28-16-
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n/an/a 310n/a 286n/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))
BDBM19996
PNG
(Quinoline 11 | methyl 4-{3-[3-benzoyl-8-(trifluoro...)
Show SMILES COC(=O)c1ccc(COc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C32H22F3NO4/c1-39-31(38)22-15-13-20(14-16-22)19-40-24-10-5-9-23(17-24)28-25-11-6-12-27(32(33,34)35)29(25)36-18-26(28)30(37)21-7-3-2-4-8-21/h2-18H,19H2,1H3
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n/an/a>1.00E+3n/a 296n/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))
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 310n/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 51: 7161-8 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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/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))
BDBM20019
PNG
(4-[({3-[3-benzoyl-8-(trifluoromethyl)quinolin-4-yl...)
Show SMILES OC(=O)c1ccc(CNc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C31H21F3N2O3/c32-31(33,34)26-11-5-10-24-27(25(18-36-28(24)26)29(37)20-6-2-1-3-7-20)22-8-4-9-23(16-22)35-17-19-12-14-21(15-13-19)30(38)39/h1-16,18,35H,17H2,(H,38,39)
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n/an/a 138n/a 365n/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))
BDBM20028
PNG
((5Z)-5-({4-[({3-[3-benzoyl-8-(trifluoromethyl)quin...)
Show SMILES FC(F)(F)c1cccc2c(-c3cccc(NCc4ccc(\C=C5/SC(=O)NC5=O)cc4)c3)c(cnc12)C(=O)c1ccccc1
Show InChI InChI=1S/C34H22F3N3O3S/c35-34(36,37)27-11-5-10-25-29(26(19-39-30(25)27)31(41)22-6-2-1-3-7-22)23-8-4-9-24(17-23)38-18-21-14-12-20(13-15-21)16-28-32(42)40-33(43)44-28/h1-17,19,38H,18H2,(H,40,42,43)/b28-16-
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n/an/a 276n/a 369n/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))
BDBM20003
PNG
(2-{4-[({3-[3-benzyl-8-(trifluoromethyl)quinolin-4-...)
Show SMILES CN(Cc1ccc(CC(O)=O)cc1)c1cccc(c1)-c1c(Cc2ccccc2)cnc2c(cccc12)C(F)(F)F
Show InChI InChI=1S/C33H27F3N2O2/c1-38(21-24-15-13-23(14-16-24)18-30(39)40)27-10-5-9-25(19-27)31-26(17-22-7-3-2-4-8-22)20-37-32-28(31)11-6-12-29(32)33(34,35)36/h2-16,19-20H,17-18,21H2,1H3,(H,39,40)
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n/an/a 115n/a 374n/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))
BDBM35101
PNG
(biarylether alcohol quinoline, 9b)
Show SMILES Oc1ccc(Oc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)cc1
Show InChI InChI=1S/C29H20F3NO2/c30-29(31,32)26-11-5-10-25-27(21(18-33-28(25)26)16-19-6-2-1-3-7-19)20-8-4-9-24(17-20)35-23-14-12-22(34)13-15-23/h1-15,17-18,34H,16H2
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n/an/a 28n/a 406n/an/a7.44



Wyeth Research



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


Bioorg Med Chem 17: 8086-92 (2009)

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))
BDBM20008
PNG
(2-{4-[({3-[3-cyano-8-(trifluoromethyl)quinolin-4-y...)
Show SMILES OC(=O)Cc1ccc(CNc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C#N)cc1
Show InChI InChI=1S/C26H18F3N3O2/c27-26(28,29)22-6-2-5-21-24(19(13-30)15-32-25(21)22)18-3-1-4-20(12-18)31-14-17-9-7-16(8-10-17)11-23(33)34/h1-10,12,15,31H,11,14H2,(H,33,34)
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n/an/a 33.8n/a 450n/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))
BDBM35115
PNG
(biarylether amide quinoline, 4p)
Show SMILES Cc1cnc2c(Cl)cccc2c1-c1cccc(Oc2cccc(c2)C(=O)N2CCOCC2)c1
Show InChI InChI=1S/C27H23ClN2O3/c1-18-17-29-26-23(9-4-10-24(26)28)25(18)19-5-2-7-21(15-19)33-22-8-3-6-20(16-22)27(31)30-11-13-32-14-12-30/h2-10,15-17H,11-14H2,1H3
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n/an/a 7n/a 572n/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 17: 1663-70 (2009)

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


(Homo sapiens (human))
BDBM35100
PNG
(biarylether methoxy quinoline, 9a)
Show SMILES COc1ccc(Oc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)cc1
Show InChI InChI=1S/C30H22F3NO2/c1-35-23-13-15-24(16-14-23)36-25-10-5-9-21(18-25)28-22(17-20-7-3-2-4-8-20)19-34-29-26(28)11-6-12-27(29)30(31,32)33/h2-16,18-19H,17H2,1H3
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n/an/a 287n/a 612n/an/a7.44



Wyeth Research



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


Bioorg Med Chem 17: 8086-92 (2009)

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


(Homo sapiens (human))
BDBM35091
PNG
(biarylether alcohol quinoline, 5d)
Show SMILES OCc1ccc(Oc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)-c2ccccc2)cc1
Show InChI InChI=1S/C29H20F3NO2/c30-29(31,32)26-11-5-10-24-27(25(17-33-28(24)26)20-6-2-1-3-7-20)21-8-4-9-23(16-21)35-22-14-12-19(18-34)13-15-22/h1-17,34H,18H2
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n/an/a 10n/a 646n/an/a7.44



Wyeth Research



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


Bioorg Med Chem 17: 8086-92 (2009)

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


(Homo sapiens (human))
BDBM20012
PNG
(2-[4-({[3-(3-benzoyl-8-fluoroquinolin-4-yl)phenyl]...)
Show SMILES OC(=O)Cc1ccc(CNc2cccc(c2)-c2c(cnc3c(F)cccc23)C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C31H23FN2O3/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 17n/a 700n/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))
BDBM20026
PNG
(3-[3-benzoyl-8-(trifluoromethyl)quinolin-4-yl]-N-b...)
Show SMILES FC(F)(F)c1cccc2c(-c3cccc(NCc4ccccc4)c3)c(cnc12)C(=O)c1ccccc1
Show InChI InChI=1S/C30H21F3N2O/c31-30(32,33)26-16-8-15-24-27(25(19-35-28(24)26)29(36)21-11-5-2-6-12-21)22-13-7-14-23(17-22)34-18-20-9-3-1-4-10-20/h1-17,19,34H,18H2
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n/an/a 45n/a 770n/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))
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/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))
BDBM35108
PNG
(biarylether amide quinoline, 4i)
Show SMILES CNC(=O)c1cccc(Oc2cccc(c2)-c2c(C)cnc3c(Cl)cccc23)c1
Show InChI InChI=1S/C24H19ClN2O2/c1-15-14-27-23-20(10-5-11-21(23)25)22(15)16-6-3-8-18(12-16)29-19-9-4-7-17(13-19)24(28)26-2/h3-14H,1-2H3,(H,26,28)
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n/an/a 9n/a 800n/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 17: 1663-70 (2009)

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


(Homo sapiens (human))
BDBM20007
PNG
(2-(4-{[(3-{3-[hydroxy(phenyl)methyl]-8-(trifluorom...)
Show SMILES OC(c1ccccc1)c1cnc2c(cccc2c1-c1cccc(NCc2ccc(CC(O)=O)cc2)c1)C(F)(F)F
Show InChI InChI=1S/C32H25F3N2O3/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/h1-15,17,19,31,36,40H,16,18H2,(H,38,39)
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n/an/a 56.4n/a 812n/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))
BDBM35087
PNG
(BMC171663 Compound 4a | Benzylquinoline, 8a)
Show SMILES COC(=O)c1cccc(Oc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)c1
Show InChI InChI=1S/C31H22F3NO3/c1-37-30(36)22-11-6-13-25(18-22)38-24-12-5-10-21(17-24)28-23(16-20-8-3-2-4-9-20)19-35-29-26(28)14-7-15-27(29)31(32,33)34/h2-15,17-19H,16H2,1H3
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n/an/a 53n/a 895n/an/a7.44



Wyeth Research



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


Bioorg Med Chem 17: 8086-92 (2009)

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


(Homo sapiens (human))
BDBM35098
PNG
(biarylether alcohol quinoline, 5h)
Show SMILES Cc1cnc2c(Cl)cccc2c1-c1cccc(Oc2cccc(CO)c2)c1
Show InChI InChI=1S/C23H18ClNO2/c1-15-13-25-23-20(9-4-10-21(23)24)22(15)17-6-3-8-19(12-17)27-18-7-2-5-16(11-18)14-26/h2-13,26H,14H2,1H3
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n/an/a 12n/a 938n/an/a7.44



Wyeth Research



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


Bioorg Med Chem 17: 8086-92 (2009)

More data for this
Ligand-Target Pair
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