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PubMed code 19162487

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))		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)


Article DOI: 10.1016/j.bmc.2008.12.048
BindingDB Entry DOI: 10.7270/Q2QR4VGV
More data for this
Ligand-Target Pair
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 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)


Article DOI: 10.1016/j.bmc.2008.12.048
BindingDB Entry DOI: 10.7270/Q2QR4VGV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Oxysterols receptor LXR-beta [154-461]


(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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n/an/a 2.60n/a 98n/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)


Article DOI: 10.1016/j.bmc.2008.12.048
BindingDB Entry DOI: 10.7270/Q2QR4VGV
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta [154-461]


(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)


Article DOI: 10.1016/j.bmc.2008.12.048
BindingDB Entry DOI: 10.7270/Q2QR4VGV
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta [154-461]


(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)


Article DOI: 10.1016/j.bmc.2008.12.048
BindingDB Entry DOI: 10.7270/Q2QR4VGV
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta [154-461]


(Homo sapiens (Human))		BDBM35113
PNG
(biarylether amide quinoline, 4n)
Show SMILES Cc1cnc2c(Cl)cccc2c1-c1cccc(Oc2cccc(c2)C(=O)N2CCCC2)c1
Show InChI InChI=1S/C27H23ClN2O2/c1-18-17-29-26-23(11-6-12-24(26)28)25(18)19-7-4-9-21(15-19)32-22-10-5-8-20(16-22)27(31)30-13-2-3-14-30/h4-12,15-17H,2-3,13-14H2,1H3
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n/an/a 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 LXR-coated flash plates. Each concentration of test...

Bioorg Med Chem 17: 1663-70 (2009)


Article DOI: 10.1016/j.bmc.2008.12.048
BindingDB Entry DOI: 10.7270/Q2QR4VGV
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta [154-461]


(Homo sapiens (Human))		BDBM35114
PNG
(biarylether amide quinoline, 4o)
Show SMILES Cc1cnc2c(Cl)cccc2c1-c1cccc(Oc2cccc(c2)C(=O)N2CCCCC2)c1
Show InChI InChI=1S/C28H25ClN2O2/c1-19-18-30-27-24(12-7-13-25(27)29)26(19)20-8-5-10-22(16-20)33-23-11-6-9-21(17-23)28(32)31-14-3-2-4-15-31/h5-13,16-18H,2-4,14-15H2,1H3
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n/an/a 6n/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 17: 1663-70 (2009)


Article DOI: 10.1016/j.bmc.2008.12.048
BindingDB Entry DOI: 10.7270/Q2QR4VGV
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta [154-461]


(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)


Article DOI: 10.1016/j.bmc.2008.12.048
BindingDB Entry DOI: 10.7270/Q2QR4VGV
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta [154-461]


(Homo sapiens (Human))		BDBM35102
PNG
(biarylether amide quinoline, 4b)
Show SMILES CCCNC(=O)c1cccc(Oc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)c1
Show InChI InChI=1S/C33H27F3N2O2/c1-2-17-37-32(39)24-12-7-14-27(20-24)40-26-13-6-11-23(19-26)30-25(18-22-9-4-3-5-10-22)21-38-31-28(30)15-8-16-29(31)33(34,35)36/h3-16,19-21H,2,17-18H2,1H3,(H,37,39)
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n/an/a 8.5n/a 1.53E+3n/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)


Article DOI: 10.1016/j.bmc.2008.12.048
BindingDB Entry DOI: 10.7270/Q2QR4VGV
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta [154-461]


(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)


Article DOI: 10.1016/j.bmc.2008.12.048
BindingDB Entry DOI: 10.7270/Q2QR4VGV
More data for this
Ligand-Target Pair
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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n/an/a 9.5n/a 238n/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 17: 1663-70 (2009)


Article DOI: 10.1016/j.bmc.2008.12.048
BindingDB Entry DOI: 10.7270/Q2QR4VGV
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta [154-461]


(Homo sapiens (Human))		BDBM35103
PNG
(biarylether amide quinoline, 4c)
Show SMILES CC(C)NC(=O)c1cccc(Oc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)c1
Show InChI InChI=1S/C33H27F3N2O2/c1-21(2)38-32(39)24-12-7-14-27(19-24)40-26-13-6-11-23(18-26)30-25(17-22-9-4-3-5-10-22)20-37-31-28(30)15-8-16-29(31)33(34,35)36/h3-16,18-21H,17H2,1-2H3,(H,38,39)
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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...

Bioorg Med Chem 17: 1663-70 (2009)


Article DOI: 10.1016/j.bmc.2008.12.048
BindingDB Entry DOI: 10.7270/Q2QR4VGV
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha [197-447]


(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)


Article DOI: 10.1016/j.bmc.2008.12.048
BindingDB Entry DOI: 10.7270/Q2QR4VGV
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta [154-461]


(Homo sapiens (Human))		BDBM35112
PNG
(biarylether amide quinoline, 4m)
Show SMILES CCN(CC)C(=O)c1cccc(Oc2cccc(c2)-c2c(C)cnc3c(Cl)cccc23)c1
Show InChI InChI=1S/C27H25ClN2O2/c1-4-30(5-2)27(31)20-10-7-12-22(16-20)32-21-11-6-9-19(15-21)25-18(3)17-29-26-23(25)13-8-14-24(26)28/h6-17H,4-5H2,1-3H3
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Wyeth Research



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

Bioorg Med Chem 17: 1663-70 (2009)


Article DOI: 10.1016/j.bmc.2008.12.048
BindingDB Entry DOI: 10.7270/Q2QR4VGV
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha [197-447]


(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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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)


Article DOI: 10.1016/j.bmc.2008.12.048
BindingDB Entry DOI: 10.7270/Q2QR4VGV
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha [197-447]


(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 15n/a 345n/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 17: 1663-70 (2009)


Article DOI: 10.1016/j.bmc.2008.12.048
BindingDB Entry DOI: 10.7270/Q2QR4VGV
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta [154-461]


(Homo sapiens (Human))		BDBM35109
PNG
(biarylether amide quinoline, 4j)
Show SMILES CCNC(=O)c1cccc(Oc2cccc(c2)-c2c(C)cnc3c(Cl)cccc23)c1
Show InChI InChI=1S/C25H21ClN2O2/c1-3-27-25(29)18-8-5-10-20(14-18)30-19-9-4-7-17(13-19)23-16(2)15-28-24-21(23)11-6-12-22(24)26/h4-15H,3H2,1-2H3,(H,27,29)
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n/an/a 20n/a 1.27E+3n/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)


Article DOI: 10.1016/j.bmc.2008.12.048
BindingDB Entry DOI: 10.7270/Q2QR4VGV
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha [197-447]


(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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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)


Article DOI: 10.1016/j.bmc.2008.12.048
BindingDB Entry DOI: 10.7270/Q2QR4VGV
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta [154-461]


(Homo sapiens (Human))		BDBM35110
PNG
(biarylether amide quinoline, 4k)
Show SMILES CCCNC(=O)c1cccc(Oc2cccc(c2)-c2c(C)cnc3c(Cl)cccc23)c1
Show InChI InChI=1S/C26H23ClN2O2/c1-3-13-28-26(30)19-8-5-10-21(15-19)31-20-9-4-7-18(14-20)24-17(2)16-29-25-22(24)11-6-12-23(25)27/h4-12,14-16H,3,13H2,1-2H3,(H,28,30)
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n/an/a 25n/a 1.18E+3n/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)


Article DOI: 10.1016/j.bmc.2008.12.048
BindingDB Entry DOI: 10.7270/Q2QR4VGV
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha [197-447]


(Homo sapiens (Human))		BDBM35113
PNG
(biarylether amide quinoline, 4n)
Show SMILES Cc1cnc2c(Cl)cccc2c1-c1cccc(Oc2cccc(c2)C(=O)N2CCCC2)c1
Show InChI InChI=1S/C27H23ClN2O2/c1-18-17-29-26-23(11-6-12-24(26)28)25(18)19-7-4-9-21(15-19)32-22-10-5-8-20(16-22)27(31)30-13-2-3-14-30/h4-12,15-17H,2-3,13-14H2,1H3
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n/an/a 34n/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 LXR-coated flash plates. Each concentration of test...

Bioorg Med Chem 17: 1663-70 (2009)


Article DOI: 10.1016/j.bmc.2008.12.048
BindingDB Entry DOI: 10.7270/Q2QR4VGV
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha [197-447]


(Homo sapiens (Human))		BDBM35114
PNG
(biarylether amide quinoline, 4o)
Show SMILES Cc1cnc2c(Cl)cccc2c1-c1cccc(Oc2cccc(c2)C(=O)N2CCCCC2)c1
Show InChI InChI=1S/C28H25ClN2O2/c1-19-18-30-27-24(12-7-13-25(27)29)26(19)20-8-5-10-22(16-20)33-23-11-6-9-21(17-23)28(32)31-14-3-2-4-15-31/h5-13,16-18H,2-4,14-15H2,1H3
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n/an/a 50n/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 LXR-coated flash plates. Each concentration of test...

Bioorg Med Chem 17: 1663-70 (2009)


Article DOI: 10.1016/j.bmc.2008.12.048
BindingDB Entry DOI: 10.7270/Q2QR4VGV
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/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 17: 1663-70 (2009)


Article DOI: 10.1016/j.bmc.2008.12.048
BindingDB Entry DOI: 10.7270/Q2QR4VGV
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha [197-447]


(Homo sapiens (Human))		BDBM35103
PNG
(biarylether amide quinoline, 4c)
Show SMILES CC(C)NC(=O)c1cccc(Oc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)c1
Show InChI InChI=1S/C33H27F3N2O2/c1-21(2)38-32(39)24-12-7-14-27(19-24)40-26-13-6-11-23(18-26)30-25(17-22-9-4-3-5-10-22)20-37-31-28(30)15-8-16-29(31)33(34,35)36/h3-16,18-21H,17H2,1-2H3,(H,38,39)
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n/an/a 74n/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 LXR-coated flash plates. Each concentration of test...

Bioorg Med Chem 17: 1663-70 (2009)


Article DOI: 10.1016/j.bmc.2008.12.048
BindingDB Entry DOI: 10.7270/Q2QR4VGV
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha [197-447]


(Homo sapiens (Human))		BDBM35102
PNG
(biarylether amide quinoline, 4b)
Show SMILES CCCNC(=O)c1cccc(Oc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)c1
Show InChI InChI=1S/C33H27F3N2O2/c1-2-17-37-32(39)24-12-7-14-27(20-24)40-26-13-6-11-23(19-26)30-25(18-22-9-4-3-5-10-22)21-38-31-28(30)15-8-16-29(31)33(34,35)36/h3-16,19-21H,2,17-18H2,1H3,(H,37,39)
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n/an/a 91n/a 2.71E+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 17: 1663-70 (2009)


Article DOI: 10.1016/j.bmc.2008.12.048
BindingDB Entry DOI: 10.7270/Q2QR4VGV
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta [154-461]


(Homo sapiens (Human))		BDBM35111
PNG
(biarylether amide quinoline, 4l)
Show SMILES CC(C)NC(=O)c1cccc(Oc2cccc(c2)-c2c(C)cnc3c(Cl)cccc23)c1
Show InChI InChI=1S/C26H23ClN2O2/c1-16(2)29-26(30)19-8-5-10-21(14-19)31-20-9-4-7-18(13-20)24-17(3)15-28-25-22(24)11-6-12-23(25)27/h4-16H,1-3H3,(H,29,30)
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n/an/a 100n/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 17: 1663-70 (2009)


Article DOI: 10.1016/j.bmc.2008.12.048
BindingDB Entry DOI: 10.7270/Q2QR4VGV
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha [197-447]


(Homo sapiens (Human))		BDBM35112
PNG
(biarylether amide quinoline, 4m)
Show SMILES CCN(CC)C(=O)c1cccc(Oc2cccc(c2)-c2c(C)cnc3c(Cl)cccc23)c1
Show InChI InChI=1S/C27H25ClN2O2/c1-4-30(5-2)27(31)20-10-7-12-22(16-20)32-21-11-6-9-19(15-21)25-18(3)17-29-26-23(25)13-8-14-24(26)28/h6-17H,4-5H2,1-3H3
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n/an/a 108n/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 LXR-coated flash plates. Each concentration of test...

Bioorg Med Chem 17: 1663-70 (2009)


Article DOI: 10.1016/j.bmc.2008.12.048
BindingDB Entry DOI: 10.7270/Q2QR4VGV
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha [197-447]


(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 125n/a 1.31E+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 17: 1663-70 (2009)


Article DOI: 10.1016/j.bmc.2008.12.048
BindingDB Entry DOI: 10.7270/Q2QR4VGV
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha [197-447]


(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 158n/a 1.24E+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 17: 1663-70 (2009)


Article DOI: 10.1016/j.bmc.2008.12.048
BindingDB Entry DOI: 10.7270/Q2QR4VGV
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 230n/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 17: 1663-70 (2009)


Article DOI: 10.1016/j.bmc.2008.12.048
BindingDB Entry DOI: 10.7270/Q2QR4VGV
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 LXR-coated flash plates. Each concentration of test...

Bioorg Med Chem 17: 1663-70 (2009)


Article DOI: 10.1016/j.bmc.2008.12.048
BindingDB Entry DOI: 10.7270/Q2QR4VGV
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha [197-447]


(Homo sapiens (Human))		BDBM35109
PNG
(biarylether amide quinoline, 4j)
Show SMILES CCNC(=O)c1cccc(Oc2cccc(c2)-c2c(C)cnc3c(Cl)cccc23)c1
Show InChI InChI=1S/C25H21ClN2O2/c1-3-27-25(29)18-8-5-10-20(14-18)30-19-9-4-7-17(13-19)23-16(2)15-28-24-21(23)11-6-12-22(24)26/h4-15H,3H2,1-2H3,(H,27,29)
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n/an/a 272n/a 2.10E+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 17: 1663-70 (2009)


Article DOI: 10.1016/j.bmc.2008.12.048
BindingDB Entry DOI: 10.7270/Q2QR4VGV
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha [197-447]


(Homo sapiens (Human))		BDBM35110
PNG
(biarylether amide quinoline, 4k)
Show SMILES CCCNC(=O)c1cccc(Oc2cccc(c2)-c2c(C)cnc3c(Cl)cccc23)c1
Show InChI InChI=1S/C26H23ClN2O2/c1-3-13-28-26(30)19-8-5-10-21(15-19)31-20-9-4-7-18(14-20)24-17(2)16-29-25-22(24)11-6-12-23(25)27/h4-12,14-16H,3,13H2,1-2H3,(H,28,30)
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n/an/a 280n/a 1.63E+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 17: 1663-70 (2009)


Article DOI: 10.1016/j.bmc.2008.12.048
BindingDB Entry DOI: 10.7270/Q2QR4VGV
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha [197-447]


(Homo sapiens (Human))		BDBM35111
PNG
(biarylether amide quinoline, 4l)
Show SMILES CC(C)NC(=O)c1cccc(Oc2cccc(c2)-c2c(C)cnc3c(Cl)cccc23)c1
Show InChI InChI=1S/C26H23ClN2O2/c1-16(2)29-26(30)19-8-5-10-21(14-19)31-20-9-4-7-18(13-20)24-17(3)15-28-25-22(24)11-6-12-23(25)27/h4-16H,1-3H3,(H,29,30)
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n/an/a 357n/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 LXR-coated flash plates. Each concentration of test...

Bioorg Med Chem 17: 1663-70 (2009)


Article DOI: 10.1016/j.bmc.2008.12.048
BindingDB Entry DOI: 10.7270/Q2QR4VGV
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 LXR-coated flash plates. Each concentration of test...

Bioorg Med Chem 17: 1663-70 (2009)


Article DOI: 10.1016/j.bmc.2008.12.048
BindingDB Entry DOI: 10.7270/Q2QR4VGV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%