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PubMed code 19853462

Compile data set for download or QSAR
Found 34 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Oxysterols receptor LXR-beta [154-461]


(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)


Article DOI: 10.1016/j.bmc.2009.10.001
BindingDB Entry DOI: 10.7270/Q2VH5M54
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Oxysterols receptor LXR-beta [154-461]


(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)


Article DOI: 10.1016/j.bmc.2009.10.001
BindingDB Entry DOI: 10.7270/Q2VH5M54
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta [154-461]


(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)


Article DOI: 10.1016/j.bmc.2009.10.001
BindingDB Entry DOI: 10.7270/Q2VH5M54
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta [154-461]


(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)


Article DOI: 10.1016/j.bmc.2009.10.001
BindingDB Entry DOI: 10.7270/Q2VH5M54
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha [197-447]


(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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Wyeth Research



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

Bioorg Med Chem 17: 8086-92 (2009)


Article DOI: 10.1016/j.bmc.2009.10.001
BindingDB Entry DOI: 10.7270/Q2VH5M54
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha [197-447]


(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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Wyeth Research



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

Bioorg Med Chem 17: 8086-92 (2009)


Article DOI: 10.1016/j.bmc.2009.10.001
BindingDB Entry DOI: 10.7270/Q2VH5M54
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta [154-461]


(Homo sapiens (Human))		BDBM35092
PNG
(biarylether alcohol quinoline, 5e)
Show SMILES OCc1ccc(Oc2cccc(c2)-c2c(cnc3c(Cl)cccc23)-c2ccccc2)cc1
Show InChI InChI=1S/C28H20ClNO2/c29-26-11-5-10-24-27(25(17-30-28(24)26)20-6-2-1-3-7-20)21-8-4-9-23(16-21)32-22-14-12-19(18-31)13-15-22/h1-17,31H,18H2
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n/an/a 8.30n/a 1.01E+3n/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)


Article DOI: 10.1016/j.bmc.2009.10.001
BindingDB Entry DOI: 10.7270/Q2VH5M54
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta [154-461]


(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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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)


Article DOI: 10.1016/j.bmc.2009.10.001
BindingDB Entry DOI: 10.7270/Q2VH5M54
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Oxysterols receptor LXR-alpha [197-447]


(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 Research



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

Bioorg Med Chem 17: 8086-92 (2009)


Article DOI: 10.1016/j.bmc.2009.10.001
BindingDB Entry DOI: 10.7270/Q2VH5M54
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta [154-461]


(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)


Article DOI: 10.1016/j.bmc.2009.10.001
BindingDB Entry DOI: 10.7270/Q2VH5M54
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha [197-447]


(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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Wyeth Research



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

Bioorg Med Chem 17: 8086-92 (2009)


Article DOI: 10.1016/j.bmc.2009.10.001
BindingDB Entry DOI: 10.7270/Q2VH5M54
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta [154-461]


(Homo sapiens (Human))		BDBM35088
PNG
(biarylether alcohol quinoline, 5a)
Show SMILES OCc1cccc(Oc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)c1
Show InChI InChI=1S/C30H22F3NO2/c31-30(32,33)27-14-6-13-26-28(23(18-34-29(26)27)15-20-7-2-1-3-8-20)22-10-5-12-25(17-22)36-24-11-4-9-21(16-24)19-35/h1-14,16-18,35H,15,19H2
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n/an/a 11.7n/a 1.03E+3n/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)


Article DOI: 10.1016/j.bmc.2009.10.001
BindingDB Entry DOI: 10.7270/Q2VH5M54
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta [154-461]


(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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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)


Article DOI: 10.1016/j.bmc.2009.10.001
BindingDB Entry DOI: 10.7270/Q2VH5M54
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha [197-447]


(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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Wyeth Research



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

Bioorg Med Chem 17: 8086-92 (2009)


Article DOI: 10.1016/j.bmc.2009.10.001
BindingDB Entry DOI: 10.7270/Q2VH5M54
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Oxysterols receptor LXR-beta [154-461]


(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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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)


Article DOI: 10.1016/j.bmc.2009.10.001
BindingDB Entry DOI: 10.7270/Q2VH5M54
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta [154-461]


(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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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)


Article DOI: 10.1016/j.bmc.2009.10.001
BindingDB Entry DOI: 10.7270/Q2VH5M54
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta [154-461]


(Homo sapiens (Human))		BDBM35096
PNG
(biarylether alcohol quinoline, 5g)
Show SMILES Cc1cnc2c(cccc2c1-c1cccc(Oc2ccc(CO)cc2)c1)C(F)(F)F
Show InChI InChI=1S/C24H18F3NO2/c1-15-13-28-23-20(6-3-7-21(23)24(25,26)27)22(15)17-4-2-5-19(12-17)30-18-10-8-16(14-29)9-11-18/h2-13,29H,14H2,1H3
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n/an/a 31n/a 1.37E+3n/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)


Article DOI: 10.1016/j.bmc.2009.10.001
BindingDB Entry DOI: 10.7270/Q2VH5M54
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha [197-447]


(Homo sapiens (Human))		BDBM35092
PNG
(biarylether alcohol quinoline, 5e)
Show SMILES OCc1ccc(Oc2cccc(c2)-c2c(cnc3c(Cl)cccc23)-c2ccccc2)cc1
Show InChI InChI=1S/C28H20ClNO2/c29-26-11-5-10-24-27(25(17-30-28(24)26)20-6-2-1-3-7-20)21-8-4-9-23(16-21)32-22-14-12-19(18-31)13-15-22/h1-17,31H,18H2
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Wyeth Research



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

Bioorg Med Chem 17: 8086-92 (2009)


Article DOI: 10.1016/j.bmc.2009.10.001
BindingDB Entry DOI: 10.7270/Q2VH5M54
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha [197-447]


(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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Wyeth Research



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

Bioorg Med Chem 17: 8086-92 (2009)


Article DOI: 10.1016/j.bmc.2009.10.001
BindingDB Entry DOI: 10.7270/Q2VH5M54
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta [154-461]


(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)


Article DOI: 10.1016/j.bmc.2009.10.001
BindingDB Entry DOI: 10.7270/Q2VH5M54
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha [197-447]


(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 59n/an/an/an/an/an/a



Wyeth Research



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

Bioorg Med Chem 17: 8086-92 (2009)


Article DOI: 10.1016/j.bmc.2009.10.001
BindingDB Entry DOI: 10.7270/Q2VH5M54
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha [197-447]


(Homo sapiens (Human))		BDBM35088
PNG
(biarylether alcohol quinoline, 5a)
Show SMILES OCc1cccc(Oc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)c1
Show InChI InChI=1S/C30H22F3NO2/c31-30(32,33)27-14-6-13-26-28(23(18-34-29(26)27)15-20-7-2-1-3-8-20)22-10-5-12-25(17-22)36-24-11-4-9-21(16-24)19-35/h1-14,16-18,35H,15,19H2
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n/an/a 75n/an/an/an/an/an/a



Wyeth Research



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

Bioorg Med Chem 17: 8086-92 (2009)


Article DOI: 10.1016/j.bmc.2009.10.001
BindingDB Entry DOI: 10.7270/Q2VH5M54
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha [197-447]


(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 107n/an/an/an/an/an/a



Wyeth Research



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

Bioorg Med Chem 17: 8086-92 (2009)


Article DOI: 10.1016/j.bmc.2009.10.001
BindingDB Entry DOI: 10.7270/Q2VH5M54
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha [197-447]


(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 115n/an/an/an/an/an/a



Wyeth Research



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

Bioorg Med Chem 17: 8086-92 (2009)


Article DOI: 10.1016/j.bmc.2009.10.001
BindingDB Entry DOI: 10.7270/Q2VH5M54
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha [197-447]


(Homo sapiens (Human))		BDBM35096
PNG
(biarylether alcohol quinoline, 5g)
Show SMILES Cc1cnc2c(cccc2c1-c1cccc(Oc2ccc(CO)cc2)c1)C(F)(F)F
Show InChI InChI=1S/C24H18F3NO2/c1-15-13-28-23-20(6-3-7-21(23)24(25,26)27)22(15)17-4-2-5-19(12-17)30-18-10-8-16(14-29)9-11-18/h2-13,29H,14H2,1H3
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n/an/a 131n/an/an/an/an/an/a



Wyeth Research



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

Bioorg Med Chem 17: 8086-92 (2009)


Article DOI: 10.1016/j.bmc.2009.10.001
BindingDB Entry DOI: 10.7270/Q2VH5M54
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha [197-447]


(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 231n/an/an/an/an/an/a



Wyeth Research



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

Bioorg Med Chem 17: 8086-92 (2009)


Article DOI: 10.1016/j.bmc.2009.10.001
BindingDB Entry DOI: 10.7270/Q2VH5M54
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta [154-461]


(Homo sapiens (Human))		BDBM35097
PNG
(3-methyl quinoline, 8d | BMC171663 Compound 4h)
Show SMILES COC(=O)c1cccc(Oc2cccc(c2)-c2c(C)cnc3c(Cl)cccc23)c1
Show InChI InChI=1S/C24H18ClNO3/c1-15-14-26-23-20(10-5-11-21(23)25)22(15)16-6-3-8-18(12-16)29-19-9-4-7-17(13-19)24(27)28-2/h3-14H,1-2H3
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n/an/a 231n/a 1.81E+3n/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)


Article DOI: 10.1016/j.bmc.2009.10.001
BindingDB Entry DOI: 10.7270/Q2VH5M54
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta [154-461]


(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)


Article DOI: 10.1016/j.bmc.2009.10.001
BindingDB Entry DOI: 10.7270/Q2VH5M54
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta [154-461]


(Homo sapiens (Human))		BDBM35093
PNG
(3-methyl quinoline, 8b)
Show SMILES COC(=O)c1cccc(Oc2cccc(c2)-c2c(C)cnc3c(cccc23)C(F)(F)F)c1
Show InChI InChI=1S/C25H18F3NO3/c1-15-14-29-23-20(10-5-11-21(23)25(26,27)28)22(15)16-6-3-8-18(12-16)32-19-9-4-7-17(13-19)24(30)31-2/h3-14H,1-2H3
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n/an/a 435n/a 3.40E+3n/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)


Article DOI: 10.1016/j.bmc.2009.10.001
BindingDB Entry DOI: 10.7270/Q2VH5M54
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha [197-447]


(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 494n/an/an/an/an/an/a



Wyeth Research



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

Bioorg Med Chem 17: 8086-92 (2009)


Article DOI: 10.1016/j.bmc.2009.10.001
BindingDB Entry DOI: 10.7270/Q2VH5M54
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta [154-461]


(Homo sapiens (Human))		BDBM35095
PNG
(3-methyl quinoline, 8c)
Show SMILES COC(=O)c1ccc(Oc2cccc(c2)-c2c(C)cnc3c(cccc23)C(F)(F)F)cc1
Show InChI InChI=1S/C25H18F3NO3/c1-15-14-29-23-20(7-4-8-21(23)25(26,27)28)22(15)17-5-3-6-19(13-17)32-18-11-9-16(10-12-18)24(30)31-2/h3-14H,1-2H3
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n/an/a>1.00E+3n/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 LXRbeta coated flash plates. Each concentration of ...

Bioorg Med Chem 17: 8086-92 (2009)


Article DOI: 10.1016/j.bmc.2009.10.001
BindingDB Entry DOI: 10.7270/Q2VH5M54
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha [197-447]


(Homo sapiens (Human))		BDBM35093
PNG
(3-methyl quinoline, 8b)
Show SMILES COC(=O)c1cccc(Oc2cccc(c2)-c2c(C)cnc3c(cccc23)C(F)(F)F)c1
Show InChI InChI=1S/C25H18F3NO3/c1-15-14-29-23-20(10-5-11-21(23)25(26,27)28)22(15)16-6-3-8-18(12-16)32-19-9-4-7-17(13-19)24(30)31-2/h3-14H,1-2H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Wyeth Research



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

Bioorg Med Chem 17: 8086-92 (2009)


Article DOI: 10.1016/j.bmc.2009.10.001
BindingDB Entry DOI: 10.7270/Q2VH5M54
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha [197-447]


(Homo sapiens (Human))		BDBM35095
PNG
(3-methyl quinoline, 8c)
Show SMILES COC(=O)c1ccc(Oc2cccc(c2)-c2c(C)cnc3c(cccc23)C(F)(F)F)cc1
Show InChI InChI=1S/C25H18F3NO3/c1-15-14-29-23-20(7-4-8-21(23)25(26,27)28)22(15)17-5-3-6-19(13-17)32-18-11-9-16(10-12-18)24(30)31-2/h3-14H,1-2H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Wyeth Research



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

Bioorg Med Chem 17: 8086-92 (2009)


Article DOI: 10.1016/j.bmc.2009.10.001
BindingDB Entry DOI: 10.7270/Q2VH5M54
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha [197-447]


(Homo sapiens (Human))		BDBM35097
PNG
(3-methyl quinoline, 8d | BMC171663 Compound 4h)
Show SMILES COC(=O)c1cccc(Oc2cccc(c2)-c2c(C)cnc3c(Cl)cccc23)c1
Show InChI InChI=1S/C24H18ClNO3/c1-15-14-26-23-20(10-5-11-21(23)25)22(15)16-6-3-8-18(12-16)29-19-9-4-7-17(13-19)24(27)28-2/h3-14H,1-2H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Wyeth Research



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

Bioorg Med Chem 17: 8086-92 (2009)


Article DOI: 10.1016/j.bmc.2009.10.001
BindingDB Entry DOI: 10.7270/Q2VH5M54
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%