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PubMed code 25677664

Compile data set for download or QSAR
Found 30 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-alpha


(Homo sapiens (Human))		BDBM50064377
PNG
(CHEMBL3403693)
Show SMILES CCCc1cc2c(cc(=O)oc2c(CCC)c1OCCCCN1C(=O)NC(C)C1=O)C(F)(F)F
Show InChI InChI=1S/C24H29F3N2O5/c1-4-8-15-12-17-18(24(25,26)27)13-19(30)34-21(17)16(9-5-2)20(15)33-11-7-6-10-29-22(31)14(3)28-23(29)32/h12-14H,4-11H2,1-3H3,(H,28,32)
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n/an/an/an/a 1.50E+3n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-tagged LXRalpha (unknown origin) expressed in CHOK1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 25: 1274-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.047
BindingDB Entry DOI: 10.7270/Q2CC12BH
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 410n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-tagged LXRbeta (unknown origin) expressed in CHOK1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 25: 1274-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.047
BindingDB Entry DOI: 10.7270/Q2CC12BH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50064387
PNG
(CHEMBL3403701)
Show SMILES CCCc1cc2c(cc(=O)oc2c(CCC)c1OCCCCN1C(=O)NC(C)(C1=O)c1ccc2OCOc2c1)C(F)(F)F
Show InChI InChI=1S/C31H33F3N2O7/c1-4-8-18-14-21-22(31(32,33)34)16-25(37)43-27(21)20(9-5-2)26(18)40-13-7-6-12-36-28(38)30(3,35-29(36)39)19-10-11-23-24(15-19)42-17-41-23/h10-11,14-16H,4-9,12-13,17H2,1-3H3,(H,35,39)
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n/an/an/an/a 1.20E+3n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-tagged LXRbeta (unknown origin) expressed in CHOK1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 25: 1274-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.047
BindingDB Entry DOI: 10.7270/Q2CC12BH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50064331
PNG
(CHEMBL3403711)
Show SMILES CCCc1c(OCCCCN2C(=O)NC(C)(C2=O)c2ccc(OC)c(OC)c2)ccc2c(cc(=O)oc12)C(F)(F)F
Show InChI InChI=1S/C29H31F3N2O7/c1-5-8-19-21(12-10-18-20(29(30,31)32)16-24(35)41-25(18)19)40-14-7-6-13-34-26(36)28(2,33-27(34)37)17-9-11-22(38-3)23(15-17)39-4/h9-12,15-16H,5-8,13-14H2,1-4H3,(H,33,37)
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n/an/an/an/a 3.00E+3n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-tagged LXRbeta (unknown origin) expressed in CHOK1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 25: 1274-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.047
BindingDB Entry DOI: 10.7270/Q2CC12BH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50064379
PNG
(CHEMBL3403691)
Show SMILES CCCc1cc2c(cc(=O)oc2c(CCC)c1OCCCCN1C(=O)C(C)N(C)C1=O)C(F)(F)F
Show InChI InChI=1S/C25H31F3N2O5/c1-5-9-16-13-18-19(25(26,27)28)14-20(31)35-22(18)17(10-6-2)21(16)34-12-8-7-11-30-23(32)15(3)29(4)24(30)33/h13-15H,5-12H2,1-4H3
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n/an/an/an/a 1.70E+3n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-tagged LXRalpha (unknown origin) expressed in CHOK1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 25: 1274-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.047
BindingDB Entry DOI: 10.7270/Q2CC12BH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50064380
PNG
(CHEMBL3403687)
Show SMILES CCCc1cc2c(cc(=O)oc2c(CCC)c1OCCCCN1C(=O)CN(C)C1=O)C(F)(F)F
Show InChI InChI=1S/C24H29F3N2O5/c1-4-8-15-12-17-18(24(25,26)27)13-20(31)34-22(17)16(9-5-2)21(15)33-11-7-6-10-29-19(30)14-28(3)23(29)32/h12-13H,4-11,14H2,1-3H3
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n/an/an/an/a 2.60E+3n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-tagged LXRalpha (unknown origin) expressed in CHOK1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 25: 1274-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.047
BindingDB Entry DOI: 10.7270/Q2CC12BH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50064391
PNG
(CHEMBL3403715)
Show SMILES CCCc1c(OCCCN2C(=O)CSC2=O)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C17H17F3N2O4S/c1-2-4-10-12(25-8-3-7-22-13(23)9-27-16(22)24)6-5-11-14(10)26-21-15(11)17(18,19)20/h5-6H,2-4,7-9H2,1H3
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n/an/an/an/a 690n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-tagged LXRbeta (unknown origin) expressed in CHOK1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 25: 1274-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.047
BindingDB Entry DOI: 10.7270/Q2CC12BH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50064379
PNG
(CHEMBL3403691)
Show SMILES CCCc1cc2c(cc(=O)oc2c(CCC)c1OCCCCN1C(=O)C(C)N(C)C1=O)C(F)(F)F
Show InChI InChI=1S/C25H31F3N2O5/c1-5-9-16-13-18-19(25(26,27)28)14-20(31)35-22(18)17(10-6-2)21(16)34-12-8-7-11-30-23(32)15(3)29(4)24(30)33/h13-15H,5-12H2,1-4H3
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n/an/an/an/a 1.30E+3n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-tagged LXRbeta (unknown origin) expressed in CHOK1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 25: 1274-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.047
BindingDB Entry DOI: 10.7270/Q2CC12BH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50064377
PNG
(CHEMBL3403693)
Show SMILES CCCc1cc2c(cc(=O)oc2c(CCC)c1OCCCCN1C(=O)NC(C)C1=O)C(F)(F)F
Show InChI InChI=1S/C24H29F3N2O5/c1-4-8-15-12-17-18(24(25,26)27)13-19(30)34-21(17)16(9-5-2)20(15)33-11-7-6-10-29-22(31)14(3)28-23(29)32/h12-14H,4-11H2,1-3H3,(H,28,32)
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n/an/an/an/a 1.30E+3n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-tagged LXRbeta (unknown origin) expressed in CHOK1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 25: 1274-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.047
BindingDB Entry DOI: 10.7270/Q2CC12BH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50064388
PNG
(CHEMBL3403704)
Show SMILES CCCc1cc2c(cc(=O)oc2c(CCC)c1OCCCCN1C(=O)NC(C)(C1=O)c1ccc(cc1)[N+]([O-])=O)C(F)(F)F
Show InChI InChI=1S/C30H32F3N3O7/c1-4-8-18-16-22-23(30(31,32)33)17-24(37)43-26(22)21(9-5-2)25(18)42-15-7-6-14-35-27(38)29(3,34-28(35)39)19-10-12-20(13-11-19)36(40)41/h10-13,16-17H,4-9,14-15H2,1-3H3,(H,34,39)
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n/an/an/an/a 8.00E+3n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-tagged LXRbeta (unknown origin) expressed in CHOK1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 25: 1274-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.047
BindingDB Entry DOI: 10.7270/Q2CC12BH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50064389
PNG
(CHEMBL3403707)
Show SMILES CCCc1c(OCCCCN2C(=O)CN(C)C2=O)ccc2c(cc(=O)oc12)C(F)(F)F
Show InChI InChI=1S/C21H23F3N2O5/c1-3-6-14-16(30-10-5-4-9-26-17(27)12-25(2)20(26)29)8-7-13-15(21(22,23)24)11-18(28)31-19(13)14/h7-8,11H,3-6,9-10,12H2,1-2H3
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n/an/an/an/a 1.30E+3n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-tagged LXRbeta (unknown origin) expressed in CHOK1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 25: 1274-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.047
BindingDB Entry DOI: 10.7270/Q2CC12BH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50064356
PNG
(CHEMBL3403708)
Show SMILES CCCc1c(OCCCCN2C(=O)N(C)C(C)(C)C2=O)ccc2c(cc(=O)oc12)C(F)(F)F
Show InChI InChI=1S/C23H27F3N2O5/c1-5-8-15-17(10-9-14-16(23(24,25)26)13-18(29)33-19(14)15)32-12-7-6-11-28-20(30)22(2,3)27(4)21(28)31/h9-10,13H,5-8,11-12H2,1-4H3
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n/an/an/an/a 2.40E+3n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-tagged LXRalpha (unknown origin) expressed in CHOK1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 25: 1274-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.047
BindingDB Entry DOI: 10.7270/Q2CC12BH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50064378
PNG
(CHEMBL3403692)
Show SMILES CCCc1cc2c(cc(=O)oc2c(CCC)c1OCCCCN1C(=O)N(C)C(C)(C)C1=O)C(F)(F)F
Show InChI InChI=1S/C26H33F3N2O5/c1-6-10-16-14-18-19(26(27,28)29)15-20(32)36-22(18)17(11-7-2)21(16)35-13-9-8-12-31-23(33)25(3,4)30(5)24(31)34/h14-15H,6-13H2,1-5H3
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n/an/an/an/a 1.10E+4n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-tagged LXRalpha (unknown origin) expressed in CHOK1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 25: 1274-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.047
BindingDB Entry DOI: 10.7270/Q2CC12BH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50064381
PNG
(CHEMBL3403686)
Show SMILES CCCc1cc2c(cc(=O)oc2c(CCC)c1OCCCCN1C(=O)CSC1=O)C(F)(F)F
Show InChI InChI=1S/C23H26F3NO5S/c1-3-7-14-11-16-17(23(24,25)26)12-19(29)32-21(16)15(8-4-2)20(14)31-10-6-5-9-27-18(28)13-33-22(27)30/h11-12H,3-10,13H2,1-2H3
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n/an/an/an/a 2.60E+3n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-tagged LXRalpha (unknown origin) expressed in CHOK1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 25: 1274-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.047
BindingDB Entry DOI: 10.7270/Q2CC12BH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(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/an/an/a 1.30E+3n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-tagged LXRalpha (unknown origin) expressed in CHOK1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 25: 1274-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.047
BindingDB Entry DOI: 10.7270/Q2CC12BH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50064378
PNG
(CHEMBL3403692)
Show SMILES CCCc1cc2c(cc(=O)oc2c(CCC)c1OCCCCN1C(=O)N(C)C(C)(C)C1=O)C(F)(F)F
Show InChI InChI=1S/C26H33F3N2O5/c1-6-10-16-14-18-19(26(27,28)29)15-20(32)36-22(18)17(11-7-2)21(16)35-13-9-8-12-31-23(33)25(3,4)30(5)24(31)34/h14-15H,6-13H2,1-5H3
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n/an/an/an/a 4.70E+3n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-tagged LXRbeta (unknown origin) expressed in CHOK1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 25: 1274-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.047
BindingDB Entry DOI: 10.7270/Q2CC12BH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50064330
PNG
(CHEMBL3403710)
Show SMILES CCCc1c(OCCCCN2C(=O)NC(C)(C2=O)c2ccc(OC)cc2)ccc2c(cc(=O)oc12)C(F)(F)F
Show InChI InChI=1S/C28H29F3N2O6/c1-4-7-20-22(13-12-19-21(28(29,30)31)16-23(34)39-24(19)20)38-15-6-5-14-33-25(35)27(2,32-26(33)36)17-8-10-18(37-3)11-9-17/h8-13,16H,4-7,14-15H2,1-3H3,(H,32,36)
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n/an/an/an/a 1.40E+3n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-tagged LXRbeta (unknown origin) expressed in CHOK1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 25: 1274-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.047
BindingDB Entry DOI: 10.7270/Q2CC12BH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50064384
PNG
(CHEMBL3403695)
Show SMILES CCCc1cc2c(cc(=O)oc2c(CCC)c1OCCCCN1C(=O)NC(C)(C1=O)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C30H33F3N2O5/c1-4-11-19-17-22-23(30(31,32)33)18-24(36)40-26(22)21(12-5-2)25(19)39-16-10-9-15-35-27(37)29(3,34-28(35)38)20-13-7-6-8-14-20/h6-8,13-14,17-18H,4-5,9-12,15-16H2,1-3H3,(H,34,38)
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n/an/an/an/a 5.30E+3n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-tagged LXRbeta (unknown origin) expressed in CHOK1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 25: 1274-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.047
BindingDB Entry DOI: 10.7270/Q2CC12BH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50064390
PNG
(CHEMBL3403709)
Show SMILES CCCc1c(OCCCCN2C(=O)NC(C)(C2=O)c2ccccc2)ccc2c(cc(=O)oc12)C(F)(F)F
Show InChI InChI=1S/C27H27F3N2O5/c1-3-9-19-21(13-12-18-20(27(28,29)30)16-22(33)37-23(18)19)36-15-8-7-14-32-24(34)26(2,31-25(32)35)17-10-5-4-6-11-17/h4-6,10-13,16H,3,7-9,14-15H2,1-2H3,(H,31,35)
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n/an/an/an/a 2.00E+3n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-tagged LXRbeta (unknown origin) expressed in CHOK1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 25: 1274-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.047
BindingDB Entry DOI: 10.7270/Q2CC12BH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50064391
PNG
(CHEMBL3403715)
Show SMILES CCCc1c(OCCCN2C(=O)CSC2=O)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C17H17F3N2O4S/c1-2-4-10-12(25-8-3-7-22-13(23)9-27-16(22)24)6-5-11-14(10)26-21-15(11)17(18,19)20/h5-6H,2-4,7-9H2,1H3
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n/an/an/an/a 1.30E+3n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-tagged LXRalpha (unknown origin) expressed in CHOK1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 25: 1274-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.047
BindingDB Entry DOI: 10.7270/Q2CC12BH
More data for this
Ligand-Target Pair
Oxysterols receptor 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/an/an/a 420n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-tagged LXRbeta (unknown origin) expressed in CHOK1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 25: 1274-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.047
BindingDB Entry DOI: 10.7270/Q2CC12BH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50064380
PNG
(CHEMBL3403687)
Show SMILES CCCc1cc2c(cc(=O)oc2c(CCC)c1OCCCCN1C(=O)CN(C)C1=O)C(F)(F)F
Show InChI InChI=1S/C24H29F3N2O5/c1-4-8-15-12-17-18(24(25,26)27)13-20(31)34-22(17)16(9-5-2)21(15)33-11-7-6-10-29-19(30)14-28(3)23(29)32/h12-13H,4-11,14H2,1-3H3
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n/an/an/an/a 1.30E+3n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-tagged LXRbeta (unknown origin) expressed in CHOK1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 25: 1274-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.047
BindingDB Entry DOI: 10.7270/Q2CC12BH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50064385
PNG
(CHEMBL3403696)
Show SMILES CCCc1cc2c(cc(=O)oc2c(CCC)c1OCCCCN1C(=O)NC(C)(C1=O)c1ccc(C)cc1)C(F)(F)F
Show InChI InChI=1S/C31H35F3N2O5/c1-5-9-20-17-23-24(31(32,33)34)18-25(37)41-27(23)22(10-6-2)26(20)40-16-8-7-15-36-28(38)30(4,35-29(36)39)21-13-11-19(3)12-14-21/h11-14,17-18H,5-10,15-16H2,1-4H3,(H,35,39)
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n/an/an/an/a 2.40E+3n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-tagged LXRbeta (unknown origin) expressed in CHOK1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 25: 1274-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.047
BindingDB Entry DOI: 10.7270/Q2CC12BH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50064356
PNG
(CHEMBL3403708)
Show SMILES CCCc1c(OCCCCN2C(=O)N(C)C(C)(C)C2=O)ccc2c(cc(=O)oc12)C(F)(F)F
Show InChI InChI=1S/C23H27F3N2O5/c1-5-8-15-17(10-9-14-16(23(24,25)26)13-18(29)33-19(14)15)32-12-7-6-11-28-20(30)22(2,3)27(4)21(28)31/h9-10,13H,5-8,11-12H2,1-4H3
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n/an/an/an/a 1.02E+3n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-tagged LXRbeta (unknown origin) expressed in CHOK1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 25: 1274-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.047
BindingDB Entry DOI: 10.7270/Q2CC12BH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50064332
PNG
(CHEMBL3403712)
Show SMILES CCCc1c(OCCCCN2C(=O)NC(C)(C2=O)c2ccc3OCOc3c2)ccc2c(cc(=O)oc12)C(F)(F)F
Show InChI InChI=1S/C28H27F3N2O7/c1-3-6-18-20(10-8-17-19(28(29,30)31)14-23(34)40-24(17)18)37-12-5-4-11-33-25(35)27(2,32-26(33)36)16-7-9-21-22(13-16)39-15-38-21/h7-10,13-14H,3-6,11-12,15H2,1-2H3,(H,32,36)
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n/an/an/an/a 1.10E+3n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-tagged LXRbeta (unknown origin) expressed in CHOK1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 25: 1274-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.047
BindingDB Entry DOI: 10.7270/Q2CC12BH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50064383
PNG
(CHEMBL3403689)
Show SMILES CCCc1cc2c(cc(=O)oc2c(CCC)c1OCCCCN1CCOC1=O)C(F)(F)F
Show InChI InChI=1S/C23H28F3NO5/c1-3-7-15-13-17-18(23(24,25)26)14-19(28)32-21(17)16(8-4-2)20(15)30-11-6-5-9-27-10-12-31-22(27)29/h13-14H,3-12H2,1-2H3
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n/an/an/an/a 2.20E+3n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-tagged LXRbeta (unknown origin) expressed in CHOK1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 25: 1274-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.047
BindingDB Entry DOI: 10.7270/Q2CC12BH
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 490n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-tagged LXRalpha (unknown origin) expressed in CHOK1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 25: 1274-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.047
BindingDB Entry DOI: 10.7270/Q2CC12BH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50064382
PNG
(CHEMBL3403688)
Show SMILES CCCc1cc2c(cc(=O)oc2c(CCC)c1OCCCCN1C(=O)CCC1=O)C(F)(F)F
Show InChI InChI=1S/C24H28F3NO5/c1-3-7-15-13-17-18(24(25,26)27)14-21(31)33-23(17)16(8-4-2)22(15)32-12-6-5-11-28-19(29)9-10-20(28)30/h13-14H,3-12H2,1-2H3
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n/an/an/an/a 1.40E+3n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-tagged LXRbeta (unknown origin) expressed in CHOK1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 25: 1274-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.047
BindingDB Entry DOI: 10.7270/Q2CC12BH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50064386
PNG
(CHEMBL3403699)
Show SMILES CCCc1cc2c(cc(=O)oc2c(CCC)c1OCCCCN1C(=O)NC(C)(C1=O)c1ccc(OC)cc1)C(F)(F)F
Show InChI InChI=1S/C31H35F3N2O6/c1-5-9-19-17-23-24(31(32,33)34)18-25(37)42-27(23)22(10-6-2)26(19)41-16-8-7-15-36-28(38)30(3,35-29(36)39)20-11-13-21(40-4)14-12-20/h11-14,17-18H,5-10,15-16H2,1-4H3,(H,35,39)
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n/an/an/an/a 960n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-tagged LXRbeta (unknown origin) expressed in CHOK1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 25: 1274-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.047
BindingDB Entry DOI: 10.7270/Q2CC12BH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50064381
PNG
(CHEMBL3403686)
Show SMILES CCCc1cc2c(cc(=O)oc2c(CCC)c1OCCCCN1C(=O)CSC1=O)C(F)(F)F
Show InChI InChI=1S/C23H26F3NO5S/c1-3-7-14-11-16-17(23(24,25)26)12-19(29)32-21(16)15(8-4-2)20(14)31-10-6-5-9-27-18(28)13-33-22(27)30/h11-12H,3-10,13H2,1-2H3
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n/an/an/an/a 1.40E+3n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-tagged LXRbeta (unknown origin) expressed in CHOK1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 25: 1274-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.047
BindingDB Entry DOI: 10.7270/Q2CC12BH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%