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PubMed code 27011007

Compile data set for download or QSAR
Found 17 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))		BDBM50172646
PNG
(CHEMBL3809583)
Show SMILES CN(C)C(=O)c1ccc(cc1Cl)-c1cnc(N2CCN(CC2)C(=O)OC(C)(C)C)c(c1)C#N
Show InChI InChI=1S/C24H28ClN5O3/c1-24(2,3)33-23(32)30-10-8-29(9-11-30)21-17(14-26)12-18(15-27-21)16-6-7-19(20(25)13-16)22(31)28(4)5/h6-7,12-13,15H,8-11H2,1-5H3
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n/an/an/an/a 770n/an/an/an/a



WuXi AppTec Company, Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at LXRbeta (unknown origin) expressed in human H4 cells co-expressing ABCA1 promoter measured after 48 hrs by cell-based transactiva...

J Med Chem 59: 3489-98 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00176
BindingDB Entry DOI: 10.7270/Q2KP843T
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50172505
PNG
(CHEMBL3809555)
Show SMILES CC(C)[C@](O)(C(=O)N1CCC(CC1)C1CCN(CC1)c1ccc(C(=O)N(C)C)c(Cl)c1)C(F)(F)F |r|
Show InChI InChI=1S/C25H35ClF3N3O3/c1-16(2)24(35,25(27,28)29)23(34)32-13-9-18(10-14-32)17-7-11-31(12-8-17)19-5-6-20(21(26)15-19)22(33)30(3)4/h5-6,15-18,35H,7-14H2,1-4H3/t24-/m0/s1
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n/an/an/an/a 840n/an/an/an/a



WuXi AppTec Company, Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at GST-tagged LXRbeta-LBD (unknown origin) by LanthaScreen TR-FRET liver X receptor coactivator assay

J Med Chem 59: 3489-98 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00176
BindingDB Entry DOI: 10.7270/Q2KP843T
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50172624
PNG
(CHEMBL3809494)
Show SMILES CN(C)C(=O)c1ccc(cc1Cl)-c1cnc(N2CCN(CC2)C(=O)[C@](O)(c2ccccc2)C(F)(F)F)c(c1)C#N |r|
Show InChI InChI=1S/C28H25ClF3N5O3/c1-35(2)25(38)22-9-8-18(15-23(22)29)20-14-19(16-33)24(34-17-20)36-10-12-37(13-11-36)26(39)27(40,28(30,31)32)21-6-4-3-5-7-21/h3-9,14-15,17,40H,10-13H2,1-2H3/t27-/m1/s1
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n/an/an/an/a 45n/an/an/an/a



WuXi AppTec Company, Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at LXRalpha (unknown origin) expressed in human HepG2 cells co-expressing ABCA1 promoter measured after 48 hrs by cell-based transac...

J Med Chem 59: 3489-98 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00176
BindingDB Entry DOI: 10.7270/Q2KP843T
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50172521
PNG
(CHEMBL3809850)
Show SMILES CC(C)[C@@](O)(C(=O)N1CCC(CC1)C1CCN(CC1)c1ccc(C(=O)N(C)C)c(Cl)c1)C(F)(F)F |r|
Show InChI InChI=1S/C25H35ClF3N3O3/c1-16(2)24(35,25(27,28)29)23(34)32-13-9-18(10-14-32)17-7-11-31(12-8-17)19-5-6-20(21(26)15-19)22(33)30(3)4/h5-6,15-18,35H,7-14H2,1-4H3/t24-/m1/s1
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n/an/an/an/a 830n/an/an/an/a



WuXi AppTec Company, Ltd.

Curated by ChEMBL


Assay Description
Partial agonist activity at LXRalpha (unknown origin) expressed in human HepG2 cells co-expressing ABCA1 promoter measured after 48 hrs by cell-based...

J Med Chem 59: 3489-98 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00176
BindingDB Entry DOI: 10.7270/Q2KP843T
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50172624
PNG
(CHEMBL3809494)
Show SMILES CN(C)C(=O)c1ccc(cc1Cl)-c1cnc(N2CCN(CC2)C(=O)[C@](O)(c2ccccc2)C(F)(F)F)c(c1)C#N |r|
Show InChI InChI=1S/C28H25ClF3N5O3/c1-35(2)25(38)22-9-8-18(15-23(22)29)20-14-19(16-33)24(34-17-20)36-10-12-37(13-11-36)26(39)27(40,28(30,31)32)21-6-4-3-5-7-21/h3-9,14-15,17,40H,10-13H2,1-2H3/t27-/m1/s1
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n/an/an/an/a 8n/an/an/an/a



WuXi AppTec Company, Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at GST-tagged LXRbeta-LBD (unknown origin) by LanthaScreen TR-FRET liver X receptor coactivator assay

J Med Chem 59: 3489-98 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00176
BindingDB Entry DOI: 10.7270/Q2KP843T
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/an/an/a 20n/an/an/an/a



WuXi AppTec Company, Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at LXRalpha (unknown origin) expressed in human HepG2 cells co-expressing ABCA1 promoter measured after 48 hrs by cell-based transac...

J Med Chem 59: 3489-98 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00176
BindingDB Entry DOI: 10.7270/Q2KP843T
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50172538
PNG
(CHEMBL3808992)
Show SMILES CN(C)C(=O)c1ccc(cc1Cl)N1CCC(CC1)C1CCN(CC1)C(=O)[C@](O)(c1ccccc1)C(F)(F)F |r|
Show InChI InChI=1S/C28H33ClF3N3O3/c1-33(2)25(36)23-9-8-22(18-24(23)29)34-14-10-19(11-15-34)20-12-16-35(17-13-20)26(37)27(38,28(30,31)32)21-6-4-3-5-7-21/h3-9,18-20,38H,10-17H2,1-2H3/t27-/m1/s1
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n/an/an/an/a 550n/an/an/an/a



WuXi AppTec Company, Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at LXRbeta (unknown origin) expressed in human H4 cells co-expressing ABCA1 promoter measured after 48 hrs by cell-based transactiva...

J Med Chem 59: 3489-98 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00176
BindingDB Entry DOI: 10.7270/Q2KP843T
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50172646
PNG
(CHEMBL3809583)
Show SMILES CN(C)C(=O)c1ccc(cc1Cl)-c1cnc(N2CCN(CC2)C(=O)OC(C)(C)C)c(c1)C#N
Show InChI InChI=1S/C24H28ClN5O3/c1-24(2,3)33-23(32)30-10-8-29(9-11-30)21-17(14-26)12-18(15-27-21)16-6-7-19(20(25)13-16)22(31)28(4)5/h6-7,12-13,15H,8-11H2,1-5H3
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n/an/an/an/a 940n/an/an/an/a



WuXi AppTec Company, Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at GST-tagged LXRbeta-LBD (unknown origin) by LanthaScreen TR-FRET liver X receptor coactivator assay

J Med Chem 59: 3489-98 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00176
BindingDB Entry DOI: 10.7270/Q2KP843T
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50172624
PNG
(CHEMBL3809494)
Show SMILES CN(C)C(=O)c1ccc(cc1Cl)-c1cnc(N2CCN(CC2)C(=O)[C@](O)(c2ccccc2)C(F)(F)F)c(c1)C#N |r|
Show InChI InChI=1S/C28H25ClF3N5O3/c1-35(2)25(38)22-9-8-18(15-23(22)29)20-14-19(16-33)24(34-17-20)36-10-12-37(13-11-36)26(39)27(40,28(30,31)32)21-6-4-3-5-7-21/h3-9,14-15,17,40H,10-13H2,1-2H3/t27-/m1/s1
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n/an/an/an/a 7n/an/an/an/a



WuXi AppTec Company, Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at LXRbeta (unknown origin) expressed in human H4 cells co-expressing ABCA1 promoter measured after 48 hrs by cell-based transactiva...

J Med Chem 59: 3489-98 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00176
BindingDB Entry DOI: 10.7270/Q2KP843T
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50172646
PNG
(CHEMBL3809583)
Show SMILES CN(C)C(=O)c1ccc(cc1Cl)-c1cnc(N2CCN(CC2)C(=O)OC(C)(C)C)c(c1)C#N
Show InChI InChI=1S/C24H28ClN5O3/c1-24(2,3)33-23(32)30-10-8-29(9-11-30)21-17(14-26)12-18(15-27-21)16-6-7-19(20(25)13-16)22(31)28(4)5/h6-7,12-13,15H,8-11H2,1-5H3
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n/an/an/an/a 1.48E+3n/an/an/an/a



WuXi AppTec Company, Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at GST-tagged LXRalpha-LBD (unknown origin) by LanthaScreen TR-FRET liver X receptor coactivator assay

J Med Chem 59: 3489-98 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00176
BindingDB Entry DOI: 10.7270/Q2KP843T
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50172646
PNG
(CHEMBL3809583)
Show SMILES CN(C)C(=O)c1ccc(cc1Cl)-c1cnc(N2CCN(CC2)C(=O)OC(C)(C)C)c(c1)C#N
Show InChI InChI=1S/C24H28ClN5O3/c1-24(2,3)33-23(32)30-10-8-29(9-11-30)21-17(14-26)12-18(15-27-21)16-6-7-19(20(25)13-16)22(31)28(4)5/h6-7,12-13,15H,8-11H2,1-5H3
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n/an/an/an/a 280n/an/an/an/a



WuXi AppTec Company, Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at LXRalpha (unknown origin) expressed in human HepG2 cells co-expressing ABCA1 promoter measured after 48 hrs by cell-based transac...

J Med Chem 59: 3489-98 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00176
BindingDB Entry DOI: 10.7270/Q2KP843T
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50172505
PNG
(CHEMBL3809555)
Show SMILES CC(C)[C@](O)(C(=O)N1CCC(CC1)C1CCN(CC1)c1ccc(C(=O)N(C)C)c(Cl)c1)C(F)(F)F |r|
Show InChI InChI=1S/C25H35ClF3N3O3/c1-16(2)24(35,25(27,28)29)23(34)32-13-9-18(10-14-32)17-7-11-31(12-8-17)19-5-6-20(21(26)15-19)22(33)30(3)4/h5-6,15-18,35H,7-14H2,1-4H3/t24-/m0/s1
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n/an/an/an/a 2.00E+3n/an/an/an/a



WuXi AppTec Company, Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at LXRalpha (unknown origin) expressed in human HepG2 cells co-expressing ABCA1 promoter measured after 48 hrs by cell-based transac...

J Med Chem 59: 3489-98 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00176
BindingDB Entry DOI: 10.7270/Q2KP843T
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50172538
PNG
(CHEMBL3808992)
Show SMILES CN(C)C(=O)c1ccc(cc1Cl)N1CCC(CC1)C1CCN(CC1)C(=O)[C@](O)(c1ccccc1)C(F)(F)F |r|
Show InChI InChI=1S/C28H33ClF3N3O3/c1-33(2)25(36)23-9-8-22(18-24(23)29)34-14-10-19(11-15-34)20-12-16-35(17-13-20)26(37)27(38,28(30,31)32)21-6-4-3-5-7-21/h3-9,18-20,38H,10-17H2,1-2H3/t27-/m1/s1
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n/an/an/an/a 500n/an/an/an/a



WuXi AppTec Company, Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at LXRalpha (unknown origin) expressed in human HepG2 cells co-expressing ABCA1 promoter measured after 48 hrs by cell-based transac...

J Med Chem 59: 3489-98 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00176
BindingDB Entry DOI: 10.7270/Q2KP843T
More data for this
Ligand-Target Pair
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/an/an/a 20n/an/an/an/a



WuXi AppTec Company, Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at LXRbeta (unknown origin) expressed in human H4 cells co-expressing ABCA1 promoter measured after 48 hrs by cell-based transactiva...

J Med Chem 59: 3489-98 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00176
BindingDB Entry DOI: 10.7270/Q2KP843T
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50172521
PNG
(CHEMBL3809850)
Show SMILES CC(C)[C@@](O)(C(=O)N1CCC(CC1)C1CCN(CC1)c1ccc(C(=O)N(C)C)c(Cl)c1)C(F)(F)F |r|
Show InChI InChI=1S/C25H35ClF3N3O3/c1-16(2)24(35,25(27,28)29)23(34)32-13-9-18(10-14-32)17-7-11-31(12-8-17)19-5-6-20(21(26)15-19)22(33)30(3)4/h5-6,15-18,35H,7-14H2,1-4H3/t24-/m1/s1
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n/an/an/an/a 30n/an/an/an/a



WuXi AppTec Company, Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at GST-tagged LXRbeta-LBD (unknown origin) by LanthaScreen TR-FRET liver X receptor coactivator assay

J Med Chem 59: 3489-98 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00176
BindingDB Entry DOI: 10.7270/Q2KP843T
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50172624
PNG
(CHEMBL3809494)
Show SMILES CN(C)C(=O)c1ccc(cc1Cl)-c1cnc(N2CCN(CC2)C(=O)[C@](O)(c2ccccc2)C(F)(F)F)c(c1)C#N |r|
Show InChI InChI=1S/C28H25ClF3N5O3/c1-35(2)25(38)22-9-8-18(15-23(22)29)20-14-19(16-33)24(34-17-20)36-10-12-37(13-11-36)26(39)27(40,28(30,31)32)21-6-4-3-5-7-21/h3-9,14-15,17,40H,10-13H2,1-2H3/t27-/m1/s1
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n/an/an/an/a 41n/an/an/an/a



WuXi AppTec Company, Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at GST-tagged LXRalpha-LBD (unknown origin) by LanthaScreen TR-FRET liver X receptor coactivator assay

J Med Chem 59: 3489-98 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00176
BindingDB Entry DOI: 10.7270/Q2KP843T
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50172521
PNG
(CHEMBL3809850)
Show SMILES CC(C)[C@@](O)(C(=O)N1CCC(CC1)C1CCN(CC1)c1ccc(C(=O)N(C)C)c(Cl)c1)C(F)(F)F |r|
Show InChI InChI=1S/C25H35ClF3N3O3/c1-16(2)24(35,25(27,28)29)23(34)32-13-9-18(10-14-32)17-7-11-31(12-8-17)19-5-6-20(21(26)15-19)22(33)30(3)4/h5-6,15-18,35H,7-14H2,1-4H3/t24-/m1/s1
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n/an/an/an/a 420n/an/an/an/a



WuXi AppTec Company, Ltd.

Curated by ChEMBL


Assay Description
Partial agonist activity at GST-tagged LXRalpha-LBD (unknown origin) by LanthaScreen TR-FRET liver X receptor coactivator assay

J Med Chem 59: 3489-98 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00176
BindingDB Entry DOI: 10.7270/Q2KP843T
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
* indicates data uncertainty>20%