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PubMed code 27283790

Compile data set for download or QSAR
Found 33 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))		BDBM50172721
PNG
(CHEMBL3814026)
Show SMILES CCCc1cc(cc(CCC)c1OCC#CCN1C(=O)NC(C)(C1=O)c1ccc(OC(C)C)cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C32H36F6N2O5/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,6-7,10-11,16-17H2,1-5H3,(H,39,42)
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n/an/an/an/a 860n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 fused LXRalpha (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50179488
PNG
(CHEMBL3814807)
Show SMILES CCCc1cc(ccc1Oc1ccc(CCN2C(=O)NC(C)(C2=O)c2ccc(OC(C)C)cc2)cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C33H34F6N2O5/c1-5-6-22-19-24(31(44,32(34,35)36)33(37,38)39)11-16-27(22)46-26-12-7-21(8-13-26)17-18-41-28(42)30(4,40-29(41)43)23-9-14-25(15-10-23)45-20(2)3/h7-16,19-20,44H,5-6,17-18H2,1-4H3,(H,40,43)
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n/an/an/an/a 1.88E+3n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 fused LXRbeta-LBD (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50173929
PNG
(CHEMBL3814025)
Show SMILES CCCc1cc(ccc1Oc1cccc(CN2C(=O)NC(C)(C2=O)c2ccc(OC(C)C)cc2)c1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C32H32F6N2O5/c1-5-7-21-17-23(30(43,31(33,34)35)32(36,37)38)12-15-26(21)45-25-9-6-8-20(16-25)18-40-27(41)29(4,39-28(40)42)22-10-13-24(14-11-22)44-19(2)3/h6,8-17,19,43H,5,7,18H2,1-4H3,(H,39,42)
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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 GAL4 fused LXRbeta-LBD (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50179490
PNG
(CHEMBL3813961)
Show SMILES CCCc1cc(ccc1Oc1ccc(CCN2C(=O)NC(C)(C2=O)c2ccc(OC(C)C)cc2)c(O)c1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C33H34F6N2O6/c1-5-6-21-17-23(31(45,32(34,35)36)33(37,38)39)10-14-27(21)47-25-11-7-20(26(42)18-25)15-16-41-28(43)30(4,40-29(41)44)22-8-12-24(13-9-22)46-19(2)3/h7-14,17-19,42,45H,5-6,15-16H2,1-4H3,(H,40,44)
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n/an/an/an/a 2.87E+3n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 fused LXRbeta-LBD (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50179403
PNG
(CHEMBL3814381)
Show SMILES CCCc1cc(ccc1Oc1ccc(cc1)C(=O)CN1C(=O)NC(C)(C1=O)c1ccc(OC(C)C)cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C33H32F6N2O6/c1-5-6-21-17-23(31(45,32(34,35)36)33(37,38)39)11-16-27(21)47-25-12-7-20(8-13-25)26(42)18-41-28(43)30(4,40-29(41)44)22-9-14-24(15-10-22)46-19(2)3/h7-17,19,45H,5-6,18H2,1-4H3,(H,40,44)
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n/an/an/an/a 120n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 fused LXRbeta-LBD (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50174995
PNG
(CHEMBL3814000)
Show SMILES CCCc1cc(ccc1Oc1cccc(CCN2C(=O)NC(C)(C2=O)c2ccc(OC(C)C)cc2)c1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C33H34F6N2O5/c1-5-7-22-19-24(31(44,32(34,35)36)33(37,38)39)12-15-27(22)46-26-9-6-8-21(18-26)16-17-41-28(42)30(4,40-29(41)43)23-10-13-25(14-11-23)45-20(2)3/h6,8-15,18-20,44H,5,7,16-17H2,1-4H3,(H,40,43)
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n/an/an/an/a 2.89E+3n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 fused LXRalpha (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50176997
PNG
(CHEMBL3814071)
Show SMILES CCCc1cc(ccc1Oc1ccc(CCN2C(=O)NC(C)(C2=O)c2ccc(OC(C)C)cc2)c(C)c1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C34H36F6N2O5/c1-6-7-23-19-25(32(45,33(35,36)37)34(38,39)40)11-15-28(23)47-27-12-8-22(21(4)18-27)16-17-42-29(43)31(5,41-30(42)44)24-9-13-26(14-10-24)46-20(2)3/h8-15,18-20,45H,6-7,16-17H2,1-5H3,(H,41,44)
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n/an/an/an/a 700n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 fused LXRbeta-LBD (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50179484
PNG
(CHEMBL3814980)
Show SMILES CCCc1cc(ccc1Oc1ccc(C(=O)CN2C(=O)NC(C)(C2=O)c2ccc(OC(C)C)cc2)c(O)c1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C33H32F6N2O7/c1-5-6-19-15-21(31(46,32(34,35)36)33(37,38)39)9-14-27(19)48-23-12-13-24(25(42)16-23)26(43)17-41-28(44)30(4,40-29(41)45)20-7-10-22(11-8-20)47-18(2)3/h7-16,18,42,46H,5-6,17H2,1-4H3,(H,40,45)
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n/an/an/an/a 110n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 fused LXRbeta-LBD (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50172720
PNG
(CHEMBL3814017)
Show SMILES CCCc1cc(cc(CCC)c1OC\C=C\CN1C(=O)NC(C)(C1=O)c1ccc(OC(C)C)cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C32H38F6N2O5/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/h8-9,12-15,18-20,43H,6-7,10-11,16-17H2,1-5H3,(H,39,42)/b9-8+
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n/an/an/an/a 1.23E+3n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 fused LXRalpha (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50179431
PNG
(CHEMBL3814351)
Show SMILES CCCc1cc(ccc1Oc1ccc(C(=O)CN2C(=O)NC(C)(C2=O)c2ccc(OC(C)C)cc2)c(OC)c1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C34H34F6N2O7/c1-6-7-20-16-22(32(46,33(35,36)37)34(38,39)40)10-15-27(20)49-24-13-14-25(28(17-24)47-5)26(43)18-42-29(44)31(4,41-30(42)45)21-8-11-23(12-9-21)48-19(2)3/h8-17,19,46H,6-7,18H2,1-5H3,(H,41,45)
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n/an/an/an/a 3.74E+3n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 fused LXRalpha (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50179485
PNG
(CHEMBL3814799)
Show SMILES CCCc1cc(ccc1Oc1ccc(C(=O)CN2C(=O)NC(C)(C2=O)c2ccc(OC(C)C)cn2)c(O)c1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C32H31F6N3O7/c1-5-6-18-13-19(30(46,31(33,34)35)32(36,37)38)7-11-25(18)48-20-8-10-22(23(42)14-20)24(43)16-41-27(44)29(4,40-28(41)45)26-12-9-21(15-39-26)47-17(2)3/h7-15,17,42,46H,5-6,16H2,1-4H3,(H,40,45)
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n/an/an/an/a 330n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 fused LXRalpha (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50172720
PNG
(CHEMBL3814017)
Show SMILES CCCc1cc(cc(CCC)c1OC\C=C\CN1C(=O)NC(C)(C1=O)c1ccc(OC(C)C)cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C32H38F6N2O5/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/h8-9,12-15,18-20,43H,6-7,10-11,16-17H2,1-5H3,(H,39,42)/b9-8+
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n/an/an/an/a 800n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 fused LXRbeta-LBD (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50179489
PNG
(CHEMBL3814297)
Show SMILES CCCc1cc(ccc1Oc1ccc(CCN2C(=O)NC(C)(C2=O)c2ccc(OC(C)C)cc2)c(OC)c1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C34H36F6N2O6/c1-6-7-22-18-24(32(45,33(35,36)37)34(38,39)40)11-15-27(22)48-26-12-8-21(28(19-26)46-5)16-17-42-29(43)31(4,41-30(42)44)23-9-13-25(14-10-23)47-20(2)3/h8-15,18-20,45H,6-7,16-17H2,1-5H3,(H,41,44)
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n/an/an/an/a 1.66E+3n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 fused LXRbeta-LBD (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50179431
PNG
(CHEMBL3814351)
Show SMILES CCCc1cc(ccc1Oc1ccc(C(=O)CN2C(=O)NC(C)(C2=O)c2ccc(OC(C)C)cc2)c(OC)c1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C34H34F6N2O7/c1-6-7-20-16-22(32(46,33(35,36)37)34(38,39)40)10-15-27(20)49-24-13-14-25(28(17-24)47-5)26(43)18-42-29(44)31(4,41-30(42)45)21-8-11-23(12-9-21)48-19(2)3/h8-17,19,46H,6-7,18H2,1-5H3,(H,41,45)
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n/an/an/an/a 360n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 fused LXRbeta-LBD (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50179485
PNG
(CHEMBL3814799)
Show SMILES CCCc1cc(ccc1Oc1ccc(C(=O)CN2C(=O)NC(C)(C2=O)c2ccc(OC(C)C)cn2)c(O)c1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C32H31F6N3O7/c1-5-6-18-13-19(30(46,31(33,34)35)32(36,37)38)7-11-25(18)48-20-8-10-22(23(42)14-20)24(43)16-41-27(44)29(4,40-28(41)45)26-12-9-21(15-39-26)47-17(2)3/h7-15,17,42,46H,5-6,16H2,1-4H3,(H,40,45)
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n/an/an/an/a 58n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 fused LXRbeta-LBD (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(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 1.15E+3n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 fused LXRbeta-LBD (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50174995
PNG
(CHEMBL3814000)
Show SMILES CCCc1cc(ccc1Oc1cccc(CCN2C(=O)NC(C)(C2=O)c2ccc(OC(C)C)cc2)c1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C33H34F6N2O5/c1-5-7-22-19-24(31(44,32(34,35)36)33(37,38)39)12-15-27(22)46-26-9-6-8-21(18-26)16-17-41-28(42)30(4,40-29(41)43)23-10-13-25(14-11-23)45-20(2)3/h6,8-15,18-20,44H,5,7,16-17H2,1-4H3,(H,40,43)
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n/an/an/an/a 2.85E+3n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 fused LXRbeta-LBD (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50179491
PNG
(CHEMBL3814806)
Show SMILES CCCc1cc(ccc1Oc1ccc(cc1)C(O)CN1C(=O)NC(C)(C1=O)c1ccc(OC(C)C)cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C33H34F6N2O6/c1-5-6-21-17-23(31(45,32(34,35)36)33(37,38)39)11-16-27(21)47-25-12-7-20(8-13-25)26(42)18-41-28(43)30(4,40-29(41)44)22-9-14-24(15-10-22)46-19(2)3/h7-17,19,26,42,45H,5-6,18H2,1-4H3,(H,40,44)
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n/an/an/an/a 2.33E+3n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 fused LXRbeta-LBD (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
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 fused LXRbeta-LBD (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50173929
PNG
(CHEMBL3814025)
Show SMILES CCCc1cc(ccc1Oc1cccc(CN2C(=O)NC(C)(C2=O)c2ccc(OC(C)C)cc2)c1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C32H32F6N2O5/c1-5-7-21-17-23(30(43,31(33,34)35)32(36,37)38)12-15-26(21)45-25-9-6-8-20(16-25)18-40-27(41)29(4,39-28(40)42)22-10-13-24(14-11-22)44-19(2)3/h6,8-17,19,43H,5,7,18H2,1-4H3,(H,39,42)
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n/an/an/an/a 1.96E+3n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 fused LXRalpha (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50176997
PNG
(CHEMBL3814071)
Show SMILES CCCc1cc(ccc1Oc1ccc(CCN2C(=O)NC(C)(C2=O)c2ccc(OC(C)C)cc2)c(C)c1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C34H36F6N2O5/c1-6-7-23-19-25(32(45,33(35,36)37)34(38,39)40)11-15-28(23)47-27-12-8-22(21(4)18-27)16-17-42-29(43)31(5,41-30(42)44)24-9-13-26(14-10-24)46-20(2)3/h8-15,18-20,45H,6-7,16-17H2,1-5H3,(H,41,44)
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n/an/an/an/a 3.14E+3n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 fused LXRalpha (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50179484
PNG
(CHEMBL3814980)
Show SMILES CCCc1cc(ccc1Oc1ccc(C(=O)CN2C(=O)NC(C)(C2=O)c2ccc(OC(C)C)cc2)c(O)c1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C33H32F6N2O7/c1-5-6-19-15-21(31(46,32(34,35)36)33(37,38)39)9-14-27(19)48-23-12-13-24(25(42)16-23)26(43)17-41-28(44)30(4,40-29(41)45)20-7-10-22(11-8-20)47-18(2)3/h7-16,18,42,46H,5-6,17H2,1-4H3,(H,40,45)
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n/an/an/an/a 340n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 fused LXRalpha (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50179485
PNG
(CHEMBL3814799)
Show SMILES CCCc1cc(ccc1Oc1ccc(C(=O)CN2C(=O)NC(C)(C2=O)c2ccc(OC(C)C)cn2)c(O)c1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C32H31F6N3O7/c1-5-6-18-13-19(30(46,31(33,34)35)32(36,37)38)7-11-25(18)48-20-8-10-22(23(42)14-20)24(43)16-41-27(44)29(4,40-28(41)45)26-12-9-21(15-39-26)47-17(2)3/h7-15,17,42,46H,5-6,16H2,1-4H3,(H,40,45)
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n/an/an/an/a 330n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 fused LXRalpha (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50179486
PNG
(CHEMBL3814224)
Show SMILES CCCc1cc(ccc1Oc1ccc(CN2C(=O)NC(C)(C2=O)c2ccc(OC(C)C)cc2)cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C32H32F6N2O5/c1-5-6-21-17-23(30(43,31(33,34)35)32(36,37)38)11-16-26(21)45-25-12-7-20(8-13-25)18-40-27(41)29(4,39-28(40)42)22-9-14-24(15-10-22)44-19(2)3/h7-17,19,43H,5-6,18H2,1-4H3,(H,39,42)
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n/an/an/an/a 1.81E+3n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 fused LXRbeta-LBD (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50179485
PNG
(CHEMBL3814799)
Show SMILES CCCc1cc(ccc1Oc1ccc(C(=O)CN2C(=O)NC(C)(C2=O)c2ccc(OC(C)C)cn2)c(O)c1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C32H31F6N3O7/c1-5-6-18-13-19(30(46,31(33,34)35)32(36,37)38)7-11-25(18)48-20-8-10-22(23(42)14-20)24(43)16-41-27(44)29(4,40-28(41)45)26-12-9-21(15-39-26)47-17(2)3/h7-15,17,42,46H,5-6,16H2,1-4H3,(H,40,45)
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n/an/an/an/a 58n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 fused LXRbeta-LBD (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50179485
PNG
(CHEMBL3814799)
Show SMILES CCCc1cc(ccc1Oc1ccc(C(=O)CN2C(=O)NC(C)(C2=O)c2ccc(OC(C)C)cn2)c(O)c1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C32H31F6N3O7/c1-5-6-18-13-19(30(46,31(33,34)35)32(36,37)38)7-11-25(18)48-20-8-10-22(23(42)14-20)24(43)16-41-27(44)29(4,40-28(41)45)26-12-9-21(15-39-26)47-17(2)3/h7-15,17,42,46H,5-6,16H2,1-4H3,(H,40,45)
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n/an/an/an/a 7n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 fused LXRbeta-LBD (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
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 1.12E+3n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 fused LXRalpha (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
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 fused LXRbeta-LBD (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50179430
PNG
(CHEMBL3813703)
Show SMILES CCCc1cc(ccc1Oc1ccc(C(=O)CN2C(=O)NC(C)(C2=O)c2ccc(OC(C)C)cc2)c(C)c1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C34H34F6N2O6/c1-6-7-21-17-23(32(46,33(35,36)37)34(38,39)40)10-15-28(21)48-25-13-14-26(20(4)16-25)27(43)18-42-29(44)31(5,41-30(42)45)22-8-11-24(12-9-22)47-19(2)3/h8-17,19,46H,6-7,18H2,1-5H3,(H,41,45)
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n/an/an/an/a 64n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 fused LXRbeta-LBD (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50179430
PNG
(CHEMBL3813703)
Show SMILES CCCc1cc(ccc1Oc1ccc(C(=O)CN2C(=O)NC(C)(C2=O)c2ccc(OC(C)C)cc2)c(C)c1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C34H34F6N2O6/c1-6-7-21-17-23(32(46,33(35,36)37)34(38,39)40)10-15-28(21)48-25-13-14-26(20(4)16-25)27(43)18-42-29(44)31(5,41-30(42)45)22-8-11-24(12-9-22)47-19(2)3/h8-17,19,46H,6-7,18H2,1-5H3,(H,41,45)
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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 GAL4 fused LXRalpha (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
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 fused LXRalpha (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50172721
PNG
(CHEMBL3814026)
Show SMILES CCCc1cc(cc(CCC)c1OCC#CCN1C(=O)NC(C)(C1=O)c1ccc(OC(C)C)cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C32H36F6N2O5/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,6-7,10-11,16-17H2,1-5H3,(H,39,42)
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n/an/an/an/a 610n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 fused LXRbeta-LBD (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50179403
PNG
(CHEMBL3814381)
Show SMILES CCCc1cc(ccc1Oc1ccc(cc1)C(=O)CN1C(=O)NC(C)(C1=O)c1ccc(OC(C)C)cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C33H32F6N2O6/c1-5-6-21-17-23(31(45,32(34,35)36)33(37,38)39)11-16-27(21)47-25-12-7-20(8-13-25)26(42)18-41-28(43)30(4,40-29(41)44)22-9-14-24(15-10-22)46-19(2)3/h7-17,19,45H,5-6,18H2,1-4H3,(H,40,44)
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n/an/an/an/a 360n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 fused LXRalpha (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%