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Compile Data Set for Download or QSAR

Found 12 hits from Daiichi Sankyo RD Novare Co., Ltd   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50115191
PNG
(CHEMBL3609573)
Show SMILES CC(C)(C)OC(=O)c1c(O)c(ccc1COc1ccc(cc1)-c1ccc(CC(O)=O)cc1)C(F)(F)F
Show InChI InChI=1S/C27H25F3O6/c1-26(2,3)36-25(34)23-19(10-13-21(24(23)33)27(28,29)30)15-35-20-11-8-18(9-12-20)17-6-4-16(5-7-17)14-22(31)32/h4-13,33H,14-15H2,1-3H3,(H,31,32)
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n/an/an/an/a 160n/an/an/an/a



Daiichi Sankyo RD Novare Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human LXRbeta expressed in African green monkey kidney CV1 cells co-expressing pTAL-LXRE including LXR response element incubated...


Bioorg Med Chem Lett 25: 3914-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.047
BindingDB Entry DOI: 10.7270/Q23T9K08
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50115192
PNG
(CHEMBL3609572)
Show SMILES CC(C)(C)OC(=O)c1c(O)c(ccc1COc1ccc(cc1)-c1cccc(CC(O)=O)c1)C(F)(F)F
Show InChI InChI=1S/C27H25F3O6/c1-26(2,3)36-25(34)23-19(9-12-21(24(23)33)27(28,29)30)15-35-20-10-7-17(8-11-20)18-6-4-5-16(13-18)14-22(31)32/h4-13,33H,14-15H2,1-3H3,(H,31,32)
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n/an/an/an/a 530n/an/an/an/a



Daiichi Sankyo RD Novare Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human LXRbeta expressed in African green monkey kidney CV1 cells co-expressing pTAL-LXRE including LXR response element incubated...


Bioorg Med Chem Lett 25: 3914-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.047
BindingDB Entry DOI: 10.7270/Q23T9K08
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50115193
PNG
(CHEMBL3609363)
Show SMILES CN(C(C)=O)c1ccc(OCc2ccc(c(O)c2C(=O)OC(C)(C)C)C(F)(F)F)cc1
Show InChI InChI=1S/C22H24F3NO5/c1-13(27)26(5)15-7-9-16(10-8-15)30-12-14-6-11-17(22(23,24)25)19(28)18(14)20(29)31-21(2,3)4/h6-11,28H,12H2,1-5H3
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n/an/an/an/a 260n/an/an/an/a



Daiichi Sankyo RD Novare Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human LXRbeta expressed in African green monkey kidney CV1 cells co-expressing pTAL-LXRE including LXR response element incubated...


Bioorg Med Chem Lett 25: 3914-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.047
BindingDB Entry DOI: 10.7270/Q23T9K08
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50115194
PNG
(CHEMBL3609362)
Show SMILES CN(C(C)=O)c1ccc(OCc2ccc(cc2C(=O)OC(C)(C)C)C(F)(F)F)cc1
Show InChI InChI=1S/C22H24F3NO4/c1-14(27)26(5)17-8-10-18(11-9-17)29-13-15-6-7-16(22(23,24)25)12-19(15)20(28)30-21(2,3)4/h6-12H,13H2,1-5H3
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n/an/an/an/a 210n/an/an/an/a



Daiichi Sankyo RD Novare Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human LXRbeta expressed in African green monkey kidney CV1 cells co-expressing pTAL-LXRE including LXR response element incubated...


Bioorg Med Chem Lett 25: 3914-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.047
BindingDB Entry DOI: 10.7270/Q23T9K08
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50115195
PNG
(CHEMBL3609361)
Show SMILES OC(=O)c1cccc(OCCCN(CC(c2ccccc2)c2ccccc2)Cc2cccc(c2Cl)C(F)(F)F)c1
Show InChI InChI=1S/C32H29ClF3NO3/c33-30-26(15-8-17-29(30)32(34,35)36)21-37(18-9-19-40-27-16-7-14-25(20-27)31(38)39)22-28(23-10-3-1-4-11-23)24-12-5-2-6-13-24/h1-8,10-17,20,28H,9,18-19,21-22H2,(H,38,39)
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n/an/an/an/a 100n/an/an/an/a



Daiichi Sankyo RD Novare Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human LXRbeta expressed in African green monkey kidney CV1 cells co-expressing pTAL-LXRE including LXR response element incubated...


Bioorg Med Chem Lett 25: 3914-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.047
BindingDB Entry DOI: 10.7270/Q23T9K08
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND 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 30n/an/an/an/a



Daiichi Sankyo RD Novare Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human LXRalpha expressed in African green monkey kidney CV1 cells co-expressing pTAL-LXRE including LXR response element incubate...


Bioorg Med Chem Lett 25: 3914-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.047
BindingDB Entry DOI: 10.7270/Q23T9K08
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50115191
PNG
(CHEMBL3609573)
Show SMILES CC(C)(C)OC(=O)c1c(O)c(ccc1COc1ccc(cc1)-c1ccc(CC(O)=O)cc1)C(F)(F)F
Show InChI InChI=1S/C27H25F3O6/c1-26(2,3)36-25(34)23-19(10-13-21(24(23)33)27(28,29)30)15-35-20-11-8-18(9-12-20)17-6-4-16(5-7-17)14-22(31)32/h4-13,33H,14-15H2,1-3H3,(H,31,32)
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n/an/an/an/a 510n/an/an/an/a



Daiichi Sankyo RD Novare Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human LXRalpha expressed in African green monkey kidney CV1 cells co-expressing pTAL-LXRE including LXR response element incubate...


Bioorg Med Chem Lett 25: 3914-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.047
BindingDB Entry DOI: 10.7270/Q23T9K08
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50115192
PNG
(CHEMBL3609572)
Show SMILES CC(C)(C)OC(=O)c1c(O)c(ccc1COc1ccc(cc1)-c1cccc(CC(O)=O)c1)C(F)(F)F
Show InChI InChI=1S/C27H25F3O6/c1-26(2,3)36-25(34)23-19(9-12-21(24(23)33)27(28,29)30)15-35-20-10-7-17(8-11-20)18-6-4-5-16(13-18)14-22(31)32/h4-13,33H,14-15H2,1-3H3,(H,31,32)
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n/an/an/an/a 1.30E+3n/an/an/an/a



Daiichi Sankyo RD Novare Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human LXRalpha expressed in African green monkey kidney CV1 cells co-expressing pTAL-LXRE including LXR response element incubate...


Bioorg Med Chem Lett 25: 3914-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.047
BindingDB Entry DOI: 10.7270/Q23T9K08
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50115193
PNG
(CHEMBL3609363)
Show SMILES CN(C(C)=O)c1ccc(OCc2ccc(c(O)c2C(=O)OC(C)(C)C)C(F)(F)F)cc1
Show InChI InChI=1S/C22H24F3NO5/c1-13(27)26(5)15-7-9-16(10-8-15)30-12-14-6-11-17(22(23,24)25)19(28)18(14)20(29)31-21(2,3)4/h6-11,28H,12H2,1-5H3
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n/an/an/an/a 280n/an/an/an/a



Daiichi Sankyo RD Novare Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human LXRalpha expressed in African green monkey kidney CV1 cells co-expressing pTAL-LXRE including LXR response element incubate...


Bioorg Med Chem Lett 25: 3914-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.047
BindingDB Entry DOI: 10.7270/Q23T9K08
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50115194
PNG
(CHEMBL3609362)
Show SMILES CN(C(C)=O)c1ccc(OCc2ccc(cc2C(=O)OC(C)(C)C)C(F)(F)F)cc1
Show InChI InChI=1S/C22H24F3NO4/c1-14(27)26(5)17-8-10-18(11-9-17)29-13-15-6-7-16(22(23,24)25)12-19(15)20(28)30-21(2,3)4/h6-12H,13H2,1-5H3
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n/an/an/an/a 310n/an/an/an/a



Daiichi Sankyo RD Novare Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human LXRalpha expressed in African green monkey kidney CV1 cells co-expressing pTAL-LXRE including LXR response element incubate...


Bioorg Med Chem Lett 25: 3914-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.047
BindingDB Entry DOI: 10.7270/Q23T9K08
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50115195
PNG
(CHEMBL3609361)
Show SMILES OC(=O)c1cccc(OCCCN(CC(c2ccccc2)c2ccccc2)Cc2cccc(c2Cl)C(F)(F)F)c1
Show InChI InChI=1S/C32H29ClF3NO3/c33-30-26(15-8-17-29(30)32(34,35)36)21-37(18-9-19-40-27-16-7-14-25(20-27)31(38)39)22-28(23-10-3-1-4-11-23)24-12-5-2-6-13-24/h1-8,10-17,20,28H,9,18-19,21-22H2,(H,38,39)
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n/an/an/an/a 540n/an/an/an/a



Daiichi Sankyo RD Novare Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human LXRalpha expressed in African green monkey kidney CV1 cells co-expressing pTAL-LXRE including LXR response element incubate...


Bioorg Med Chem Lett 25: 3914-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.047
BindingDB Entry DOI: 10.7270/Q23T9K08
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND 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 130n/an/an/an/a



Daiichi Sankyo RD Novare Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human LXRbeta expressed in African green monkey kidney CV1 cells co-expressing pTAL-LXRE including LXR response element incubated...


Bioorg Med Chem Lett 25: 3914-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.047
BindingDB Entry DOI: 10.7270/Q23T9K08
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)