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Compile Data Set for Download or QSAR

Found 142 hits with Last Name = 'kurobuchi' and Initial = 's'   
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))
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))
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-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-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))
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-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))
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-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))
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))
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
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))
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))
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-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))
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))
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))
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))
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))
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))
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))
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-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))
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))
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))
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-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))
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))
BDBM50094777
PNG
(CHEMBL3590273)
Show SMILES CCCc1cc(ccc1OCCCCN1C(=O)NC(C)(C1=O)c1cccc(OC)c1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H21N5O3/c1-15(31)27-19-13-18-9-12-30-22(18)20(14-19)21(16-5-3-2-4-6-16)28-23(25(30)33)29-24(32)17-7-10-26-11-8-17/h2-8,10-11,13-14,23H,9,12H2,1H3,(H,27,31)(H,29,32)/t23-/m0/s1
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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 LXRbeta (unknown origin) expressed in CHOK1 cells incubated for 24 hrs by GAL4-responsive luciferase reporter gene assay


Bioorg Med Chem Lett 25: 2668-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.080
BindingDB Entry DOI: 10.7270/Q2PN97CM
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50094778
PNG
(CHEMBL3588879)
Show SMILES CCCc1cc(ccc1OCCCCN1C(=O)NC(C)(C1=O)c1ccc(cc1)C(C)C)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C29H28N8O2/c1-17-14-23-32-33-24(18(2)37(23)34-17)28(38)31-27-29(39)36-13-10-20-15-21(35-11-6-7-12-35)16-22(26(20)36)25(30-27)19-8-4-3-5-9-19/h3-5,8-9,14-16,27H,6-7,10-13H2,1-2H3,(H,31,38)/t27-/m0/s1
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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 LXRbeta (unknown origin) expressed in CHOK1 cells incubated for 24 hrs by GAL4-responsive luciferase reporter gene assay


Bioorg Med Chem Lett 25: 2668-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.080
BindingDB Entry DOI: 10.7270/Q2PN97CM
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50094779
PNG
(CHEMBL3588880)
Show SMILES CCCc1cc(ccc1OCCCCN1C(=O)NC(C)(C1=O)c1ccc(C)cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H23N7O3/c1-14-11-20-29-30-21(15(2)33(20)31-14)25(34)28-24-26(35)32-10-9-17-12-18(36-3)13-19(23(17)32)22(27-24)16-7-5-4-6-8-16/h4-8,11-13,24H,9-10H2,1-3H3,(H,28,34)/t24-/m0/s1
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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 LXRbeta (unknown origin) expressed in CHOK1 cells incubated for 24 hrs by GAL4-responsive luciferase reporter gene assay


Bioorg Med Chem Lett 25: 2668-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.080
BindingDB Entry DOI: 10.7270/Q2PN97CM
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50094780
PNG
(CHEMBL3588881)
Show SMILES CCCc1cc(ccc1OCCCCN1C(=O)NC(C)(C1=O)c1ccccc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H21Cl2N5O3/c1-13(34)30-17-9-15-7-8-33-23(15)18(12-17)22(14-5-3-2-4-6-14)31-24(26(33)36)32-25(35)16-10-19(27)21(29)20(28)11-16/h2-6,9-12,24H,7-8,29H2,1H3,(H,30,34)(H,32,35)/t24-/m0/s1
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n/an/an/an/a 1.20E+4n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at LXRbeta (unknown origin) expressed in CHOK1 cells incubated for 24 hrs by GAL4-responsive luciferase reporter gene assay


Bioorg Med Chem Lett 25: 2668-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.080
BindingDB Entry DOI: 10.7270/Q2PN97CM
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50094781
PNG
(CHEMBL3589805)
Show SMILES CCCc1cc(cc(CCC)c1OCCCCN1C(=O)NC(C)(C1=O)c1ccc(OC)cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H20N6O2/c24-15-10-14-7-9-29-20(14)17(11-15)19(13-4-2-1-3-5-13)27-21(23(29)31)28-22(30)16-6-8-26-12-18(16)25/h1-6,8,10-12,21H,7,9,24-25H2,(H,28,30)/t21-/m0/s1
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n/an/an/an/a 1.60E+3n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at LXRalpha (unknown origin) expressed in CHOK1 cells incubated for 24 hrs by GAL4-responsive luciferase reporter gene assay


Bioorg Med Chem Lett 25: 2668-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.080
BindingDB Entry DOI: 10.7270/Q2PN97CM
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50094782
PNG
(CHEMBL3588882)
Show SMILES CCCc1cc(cc(CCC)c1OCCCCN1C(=O)N(C)C(C)(C)C1=O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H19Cl2N5O2/c25-17-9-14(10-18(26)19(17)28)23(32)30-22-24(33)31-7-6-13-8-15(27)11-16(21(13)31)20(29-22)12-4-2-1-3-5-12/h1-5,8-11,22H,6-7,27-28H2,(H,30,32)/t22-/m0/s1
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n/an/an/an/a 710n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at LXRalpha (unknown origin) expressed in CHOK1 cells incubated for 24 hrs by GAL4-responsive luciferase reporter gene assay


Bioorg Med Chem Lett 25: 2668-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.080
BindingDB Entry DOI: 10.7270/Q2PN97CM
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50094783
PNG
(CHEMBL3588883)
Show SMILES CCCc1cc(ccc1OCCCCN1C(=O)NC(C)(C1=O)c1ccc(OC)cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H23Cl2N5O2/c1-32(2)17-10-15-8-9-33-23(15)18(13-17)22(14-6-4-3-5-7-14)30-24(26(33)35)31-25(34)16-11-19(27)21(29)20(28)12-16/h3-7,10-13,24H,8-9,29H2,1-2H3,(H,31,34)/t24-/m0/s1
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n/an/an/an/a 2.80E+3n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at LXRalpha (unknown origin) expressed in CHOK1 cells incubated for 24 hrs by GAL4-responsive luciferase reporter gene assay


Bioorg Med Chem Lett 25: 2668-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.080
BindingDB Entry DOI: 10.7270/Q2PN97CM
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50094784
PNG
(CHEMBL3588884)
Show SMILES CCCc1cc(ccc1OCCCCN1C(=O)N(C)C(C)(C)C1=O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C28H22N4O3/c1-35-21-14-19-11-12-32-25(19)22(15-21)24(17-7-3-2-4-8-17)30-26(28(32)34)31-27(33)20-13-18-9-5-6-10-23(18)29-16-20/h2-10,13-16,26H,11-12H2,1H3,(H,31,33)/t26-/m0/s1
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n/an/an/an/a 3.20E+3n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at LXRalpha (unknown origin) expressed in CHOK1 cells incubated for 24 hrs by GAL4-responsive luciferase reporter gene assay


Bioorg Med Chem Lett 25: 2668-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.080
BindingDB Entry DOI: 10.7270/Q2PN97CM
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50094785
PNG
(CHEMBL3588885)
Show SMILES CCCc1c2COC(c2ccc1OCCCCN1C(=O)NC(C)(C1=O)c1ccc(OC)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H25N5O2/c33-26(19-8-11-28-12-9-19)30-25-27(34)32-15-10-20-16-21(31-13-4-5-14-31)17-22(24(20)32)23(29-25)18-6-2-1-3-7-18/h1-3,6-9,11-12,16-17,25H,4-5,10,13-15H2,(H,30,33)/t25-/m0/s1
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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 LXRalpha (unknown origin) expressed in CHOK1 cells incubated for 24 hrs by GAL4-responsive luciferase reporter gene assay


Bioorg Med Chem Lett 25: 2668-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.080
BindingDB Entry DOI: 10.7270/Q2PN97CM
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50094786
PNG
(CHEMBL3588886)
Show SMILES CCCc1c2COC(c2ccc1OCCCCN1C(=O)N(C)C(C)(C)C1=O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H17N5O4/c29-22(16-7-4-9-24-13-16)26-21-23(30)27-10-8-15-11-17(28(31)32)12-18(20(15)27)19(25-21)14-5-2-1-3-6-14/h1-7,9,11-13,21H,8,10H2,(H,26,29)/t21-/m0/s1
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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 LXRalpha (unknown origin) expressed in CHOK1 cells incubated for 24 hrs by GAL4-responsive luciferase reporter gene assay


Bioorg Med Chem Lett 25: 2668-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.080
BindingDB Entry DOI: 10.7270/Q2PN97CM
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 LXRalpha (unknown origin) expressed in CHOK1 cells incubated for 24 hrs by GAL4-responsive luciferase reporter gene assay


Bioorg Med Chem Lett 25: 2668-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.080
BindingDB Entry DOI: 10.7270/Q2PN97CM
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50094787
PNG
(CHEMBL3588892)
Show SMILES CCCc1cc(cc(CCC)c1OCCCCN1C(=O)NC(CC)(C1=O)c1ccc2OCOc2c1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H21N5O2/c28-20-13-18-10-11-32-24(18)21(14-20)23(16-6-2-1-3-7-16)30-25(27(32)34)31-26(33)19-12-17-8-4-5-9-22(17)29-15-19/h1-9,12-15,25H,10-11,28H2,(H,31,33)/t25-/m0/s1
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n/an/an/an/a 600n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at LXRalpha (unknown origin) expressed in CHOK1 cells incubated for 24 hrs by GAL4-responsive luciferase reporter gene assay


Bioorg Med Chem Lett 25: 2668-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.080
BindingDB Entry DOI: 10.7270/Q2PN97CM
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50094788
PNG
(CHEMBL3588891)
Show SMILES CCCc1cc(cc(CCC)c1OCCCCN1C(=O)NC(CC)(C1=O)c1ccc(OC)cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C28H27N5O4/c1-28(2,3)37-27(36)30-21-16-29-14-12-19(21)25(34)32-24-26(35)33-15-13-18-10-7-11-20(23(18)33)22(31-24)17-8-5-4-6-9-17/h4-12,14,16,24H,13,15H2,1-3H3,(H,30,36)(H,32,34)/t24-/m0/s1
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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 LXRalpha (unknown origin) expressed in CHOK1 cells incubated for 24 hrs by GAL4-responsive luciferase reporter gene assay


Bioorg Med Chem Lett 25: 2668-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.080
BindingDB Entry DOI: 10.7270/Q2PN97CM
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50094789
PNG
(CHEMBL3588890)
Show SMILES CCCc1cc(cc(CCC)c1OCCCCN1C(=O)NC(C)(C1=O)c1ccc(cc1)-c1ccccc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H17Cl2N5O2/c24-16-10-27-11-17(25)18(16)22(31)29-21-23(32)30-7-6-13-8-14(26)9-15(20(13)30)19(28-21)12-4-2-1-3-5-12/h1-5,8-11,21H,6-7,26H2,(H,29,31)/t21-/m0/s1
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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 LXRalpha (unknown origin) expressed in CHOK1 cells incubated for 24 hrs by GAL4-responsive luciferase reporter gene assay


Bioorg Med Chem Lett 25: 2668-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.080
BindingDB Entry DOI: 10.7270/Q2PN97CM
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50094790
PNG
(CHEMBL3588889)
Show SMILES CCCc1cc(cc(CCC)c1OCCCCN1C(=O)NC(C)(C1=O)c1ccc(cc1)C(C)C)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H21N5O2/c25-17-8-6-15(7-9-17)23(30)28-22-24(31)29-11-10-16-12-18(26)13-19(21(16)29)20(27-22)14-4-2-1-3-5-14/h1-9,12-13,22H,10-11,25-26H2,(H,28,30)/t22-/m0/s1
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n/an/an/an/a 1.80E+3n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at LXRalpha (unknown origin) expressed in CHOK1 cells incubated for 24 hrs by GAL4-responsive luciferase reporter gene assay


Bioorg Med Chem Lett 25: 2668-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.080
BindingDB Entry DOI: 10.7270/Q2PN97CM
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50094797
PNG
(CHEMBL3588888)
Show SMILES CCCc1cc(cc(CCC)c1OCCCCN1C(=O)NC(C)(C1=O)c1ccc2OCCOc2c1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H15Cl2N/c1-19-16-9-13(11-4-2-3-5-12(11)16)10-6-7-14(17)15(18)8-10/h2-8,13,16,19H,9H2,1H3/t13?,16-/m1/s1
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n/an/an/an/a 500n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at LXRalpha (unknown origin) expressed in CHOK1 cells incubated for 24 hrs by GAL4-responsive luciferase reporter gene assay


Bioorg Med Chem Lett 25: 2668-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.080
BindingDB Entry DOI: 10.7270/Q2PN97CM
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50094849
PNG
(CHEMBL3589801)
Show SMILES CCCc1cc(cc(CCC)c1OCCCCN1C(=O)NC(C)(C1=O)c1ccc2OCOc2c1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C30H34F6N2O6/c1-4-8-18-14-21(28(41,29(31,32)33)30(34,35)36)15-19(9-5-2)24(18)42-13-7-6-12-38-25(39)27(3,37-26(38)40)20-10-11-22-23(16-20)44-17-43-22/h10-11,14-16,41H,4-9,12-13,17H2,1-3H3,(H,37,40)
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n/an/an/an/a 400n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at LXRalpha (unknown origin) expressed in CHOK1 cells incubated for 24 hrs by GAL4-responsive luciferase reporter gene assay


Bioorg Med Chem Lett 25: 2668-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.080
BindingDB Entry DOI: 10.7270/Q2PN97CM
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50094850
PNG
(CHEMBL3589802)
Show SMILES CCCc1cc(cc(CCC)c1OCCCCN1C(=O)NC(C)(C1=O)c1ccc(OC(F)(F)F)cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C30H33F9N2O5/c1-4-8-18-16-21(27(44,28(31,32)33)29(34,35)36)17-19(9-5-2)23(18)45-15-7-6-14-41-24(42)26(3,40-25(41)43)20-10-12-22(13-11-20)46-30(37,38)39/h10-13,16-17,44H,4-9,14-15H2,1-3H3,(H,40,43)
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n/an/an/an/a 1.80E+3n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at LXRalpha (unknown origin) expressed in CHOK1 cells incubated for 24 hrs by GAL4-responsive luciferase reporter gene assay


Bioorg Med Chem Lett 25: 2668-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.080
BindingDB Entry DOI: 10.7270/Q2PN97CM
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50094851
PNG
(CHEMBL3589803)
Show SMILES CCCc1cc(cc(CCC)c1OCCCCN1C(=O)NC(C)(C1=O)c1ccc(OC(C)C)cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C32H40F6N2O5/c1-6-10-21-18-24(30(43,31(33,34)35)32(36,37)38)19-22(11-7-2)26(21)44-17-9-8-16-40-27(41)29(5,39-28(40)42)23-12-14-25(15-13-23)45-20(3)4/h12-15,18-20,43H,6-11,16-17H2,1-5H3,(H,39,42)
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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 LXRalpha (unknown origin) expressed in CHOK1 cells incubated for 24 hrs by GAL4-responsive luciferase reporter gene assay


Bioorg Med Chem Lett 25: 2668-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.080
BindingDB Entry DOI: 10.7270/Q2PN97CM
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50094852
PNG
(CHEMBL3589804)
Show SMILES CCCc1cc(cc(CCC)c1OCCCCN1C(=O)NC(C)(C1=O)c1ccc(OCC)cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C31H38F6N2O5/c1-5-10-20-18-23(29(42,30(32,33)34)31(35,36)37)19-21(11-6-2)25(20)44-17-9-8-16-39-26(40)28(4,38-27(39)41)22-12-14-24(15-13-22)43-7-3/h12-15,18-19,42H,5-11,16-17H2,1-4H3,(H,38,41)
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n/an/an/an/a 900n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at LXRalpha (unknown origin) expressed in CHOK1 cells incubated for 24 hrs by GAL4-responsive luciferase reporter gene assay


Bioorg Med Chem Lett 25: 2668-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.080
BindingDB Entry DOI: 10.7270/Q2PN97CM
More data for this
Ligand-Target Pair
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