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PubMed code 22406115

Compile data set for download or QSAR
Found 18 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


(Homo sapiens (Human))		BDBM50179869
PNG
(CHEMBL203682 | N-methyl-N-[4-(2,2,2-trifluoro-1-hy...)
Show SMILES CN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H13F6NO3S/c1-23(27(25,26)13-5-3-2-4-6-13)12-9-7-11(8-10-12)14(24,15(17,18)19)16(20,21)22/h2-10,24H,1H3
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n/an/a 20n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-N-methylbenzenesulfonamide from LXRbeta by scintillation proximity assa...

Bioorg Med Chem Lett 22: 2407-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.028
BindingDB Entry DOI: 10.7270/Q2M61M77
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50179869
PNG
(CHEMBL203682 | N-methyl-N-[4-(2,2,2-trifluoro-1-hy...)
Show SMILES CN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H13F6NO3S/c1-23(27(25,26)13-5-3-2-4-6-13)12-9-7-11(8-10-12)14(24,15(17,18)19)16(20,21)22/h2-10,24H,1H3
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n/an/a 40n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-N-methylbenzenesulfonamide from LXRalpa by scintillation proximity assa...

Bioorg Med Chem Lett 22: 2407-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.028
BindingDB Entry DOI: 10.7270/Q2M61M77
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM19993
PNG
(CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2
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n/an/a 100n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-N-methylbenzenesulfonamide from LXRalpa by scintillation proximity assa...

Bioorg Med Chem Lett 22: 2407-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.028
BindingDB Entry DOI: 10.7270/Q2M61M77
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM19993
PNG
(CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2
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n/an/a 100n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-N-methylbenzenesulfonamide from LXRbeta by scintillation proximity assa...

Bioorg Med Chem Lett 22: 2407-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.028
BindingDB Entry DOI: 10.7270/Q2M61M77
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50380070
PNG
(CHEMBL2012768)
Show SMILES CCOCCn1cccc1C(c1ccc(cc1)N(C)S(=O)(=O)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C23H25F3N2O3S/c1-3-31-17-16-28-15-7-10-21(28)22(23(24,25)26)18-11-13-19(14-12-18)27(2)32(29,30)20-8-5-4-6-9-20/h4-15,22H,3,16-17H2,1-2H3
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Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-N-methylbenzenesulfonamide from LXRalpa by scintillation proximity assa...

Bioorg Med Chem Lett 22: 2407-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.028
BindingDB Entry DOI: 10.7270/Q2M61M77
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50380068
PNG
(CHEMBL2012766)
Show SMILES COCCn1cccc1C(c1ccc(cc1)N(C)S(=O)(=O)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C22H23F3N2O3S/c1-26(31(28,29)19-7-4-3-5-8-19)18-12-10-17(11-13-18)21(22(23,24)25)20-9-6-14-27(20)15-16-30-2/h3-14,21H,15-16H2,1-2H3
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Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-N-methylbenzenesulfonamide from LXRalpa by scintillation proximity assa...

Bioorg Med Chem Lett 22: 2407-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.028
BindingDB Entry DOI: 10.7270/Q2M61M77
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50380067
PNG
(CHEMBL2012765)
Show SMILES COCCn1cccc1C(OC)(c1ccc(cc1)N(C)S(=O)(=O)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C23H25F3N2O4S/c1-27(33(29,30)20-8-5-4-6-9-20)19-13-11-18(12-14-19)22(32-3,23(24,25)26)21-10-7-15-28(21)16-17-31-2/h4-15H,16-17H2,1-3H3
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Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-N-methylbenzenesulfonamide from LXRalpa by scintillation proximity assa...

Bioorg Med Chem Lett 22: 2407-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.028
BindingDB Entry DOI: 10.7270/Q2M61M77
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50380069
PNG
(CHEMBL2012767)
Show SMILES CCOCCn1cccc1C(O)(c1ccc(cc1)N(C)S(=O)(=O)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C23H25F3N2O4S/c1-3-32-17-16-28-15-7-10-21(28)22(29,23(24,25)26)18-11-13-19(14-12-18)27(2)33(30,31)20-8-5-4-6-9-20/h4-15,29H,3,16-17H2,1-2H3
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Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-N-methylbenzenesulfonamide from LXRalpa by scintillation proximity assa...

Bioorg Med Chem Lett 22: 2407-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.028
BindingDB Entry DOI: 10.7270/Q2M61M77
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50380070
PNG
(CHEMBL2012768)
Show SMILES CCOCCn1cccc1C(c1ccc(cc1)N(C)S(=O)(=O)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C23H25F3N2O3S/c1-3-31-17-16-28-15-7-10-21(28)22(23(24,25)26)18-11-13-19(14-12-18)27(2)32(29,30)20-8-5-4-6-9-20/h4-15,22H,3,16-17H2,1-2H3
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n/an/a 700n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-N-methylbenzenesulfonamide from LXRbeta by scintillation proximity assa...

Bioorg Med Chem Lett 22: 2407-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.028
BindingDB Entry DOI: 10.7270/Q2M61M77
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50380068
PNG
(CHEMBL2012766)
Show SMILES COCCn1cccc1C(c1ccc(cc1)N(C)S(=O)(=O)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C22H23F3N2O3S/c1-26(31(28,29)19-7-4-3-5-8-19)18-12-10-17(11-13-18)21(22(23,24)25)20-9-6-14-27(20)15-16-30-2/h3-14,21H,15-16H2,1-2H3
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n/an/a 800n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-N-methylbenzenesulfonamide from LXRbeta by scintillation proximity assa...

Bioorg Med Chem Lett 22: 2407-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.028
BindingDB Entry DOI: 10.7270/Q2M61M77
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50380064
PNG
(CHEMBL2012762)
Show SMILES CN(c1ccc(cc1)C(O)(c1cccn1Cc1ccccc1)C(F)(F)F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C26H23F3N2O3S/c1-30(35(33,34)23-11-6-3-7-12-23)22-16-14-21(15-17-22)25(32,26(27,28)29)24-13-8-18-31(24)19-20-9-4-2-5-10-20/h2-18,32H,19H2,1H3
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Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-N-methylbenzenesulfonamide from LXRalpa by scintillation proximity assa...

Bioorg Med Chem Lett 22: 2407-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.028
BindingDB Entry DOI: 10.7270/Q2M61M77
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50380064
PNG
(CHEMBL2012762)
Show SMILES CN(c1ccc(cc1)C(O)(c1cccn1Cc1ccccc1)C(F)(F)F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C26H23F3N2O3S/c1-30(35(33,34)23-11-6-3-7-12-23)22-16-14-21(15-17-22)25(32,26(27,28)29)24-13-8-18-31(24)19-20-9-4-2-5-10-20/h2-18,32H,19H2,1H3
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Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-N-methylbenzenesulfonamide from LXRbeta by scintillation proximity assa...

Bioorg Med Chem Lett 22: 2407-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.028
BindingDB Entry DOI: 10.7270/Q2M61M77
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50380067
PNG
(CHEMBL2012765)
Show SMILES COCCn1cccc1C(OC)(c1ccc(cc1)N(C)S(=O)(=O)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C23H25F3N2O4S/c1-27(33(29,30)20-8-5-4-6-9-20)19-13-11-18(12-14-19)22(32-3,23(24,25)26)21-10-7-15-28(21)16-17-31-2/h4-15H,16-17H2,1-3H3
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n/an/a 900n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-N-methylbenzenesulfonamide from LXRbeta by scintillation proximity assa...

Bioorg Med Chem Lett 22: 2407-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.028
BindingDB Entry DOI: 10.7270/Q2M61M77
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50380069
PNG
(CHEMBL2012767)
Show SMILES CCOCCn1cccc1C(O)(c1ccc(cc1)N(C)S(=O)(=O)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C23H25F3N2O4S/c1-3-32-17-16-28-15-7-10-21(28)22(29,23(24,25)26)18-11-13-19(14-12-18)27(2)33(30,31)20-8-5-4-6-9-20/h4-15,29H,3,16-17H2,1-2H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-N-methylbenzenesulfonamide from LXRbeta by scintillation proximity assa...

Bioorg Med Chem Lett 22: 2407-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.028
BindingDB Entry DOI: 10.7270/Q2M61M77
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50380066
PNG
(CHEMBL2012764)
Show SMILES COCCn1cccc1C(O)(c1ccc(cc1)N(C)S(=O)(=O)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C22H23F3N2O4S/c1-26(32(29,30)19-7-4-3-5-8-19)18-12-10-17(11-13-18)21(28,22(23,24)25)20-9-6-14-27(20)15-16-31-2/h3-14,28H,15-16H2,1-2H3
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Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-N-methylbenzenesulfonamide from LXRalpa by scintillation proximity assa...

Bioorg Med Chem Lett 22: 2407-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.028
BindingDB Entry DOI: 10.7270/Q2M61M77
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50380066
PNG
(CHEMBL2012764)
Show SMILES COCCn1cccc1C(O)(c1ccc(cc1)N(C)S(=O)(=O)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C22H23F3N2O4S/c1-26(32(29,30)19-7-4-3-5-8-19)18-12-10-17(11-13-18)21(28,22(23,24)25)20-9-6-14-27(20)15-16-31-2/h3-14,28H,15-16H2,1-2H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-N-methylbenzenesulfonamide from LXRbeta by scintillation proximity assa...

Bioorg Med Chem Lett 22: 2407-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.028
BindingDB Entry DOI: 10.7270/Q2M61M77
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50380065
PNG
(CHEMBL2012763)
Show SMILES COC(c1cccn1Cc1ccccc1)(c1ccc(cc1)N(C)S(=O)(=O)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C27H25F3N2O3S/c1-31(36(33,34)24-12-7-4-8-13-24)23-17-15-22(16-18-23)26(35-2,27(28,29)30)25-14-9-19-32(25)20-21-10-5-3-6-11-21/h3-19H,20H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-N-methylbenzenesulfonamide from LXRalpa by scintillation proximity assa...

Bioorg Med Chem Lett 22: 2407-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.028
BindingDB Entry DOI: 10.7270/Q2M61M77
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50380065
PNG
(CHEMBL2012763)
Show SMILES COC(c1cccn1Cc1ccccc1)(c1ccc(cc1)N(C)S(=O)(=O)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C27H25F3N2O3S/c1-31(36(33,34)24-12-7-4-8-13-24)23-17-15-22(16-18-23)26(35-2,27(28,29)30)25-14-9-19-32(25)20-21-10-5-3-6-11-21/h3-19H,20H2,1-2H3
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Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-N-methylbenzenesulfonamide from LXRbeta by scintillation proximity assa...

Bioorg Med Chem Lett 22: 2407-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.028
BindingDB Entry DOI: 10.7270/Q2M61M77
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%