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Compile Data Set for Download or QSAR

Found 497 hits of ec50 data for polymerid = 2041,2051,50007064   
Target
(Institution)
LigandTarget
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
LXR-alpha


(Homo sapiens (human))
BDBM50241903
PNG
(CHEMBL506838 | acetyl Podocarpic acid anhydride)
Show SMILES CC(=O)Oc1ccc2CC[C@H]3[C@](C)(CCC[C@]3(C)c2c1)C(=O)OC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(OC(C)=O)cc21
Show InChI InChI=1S/C38H46O7/c1-23(39)43-27-13-9-25-11-15-31-35(3,29(25)21-27)17-7-19-37(31,5)33(41)45-34(42)38(6)20-8-18-36(4)30-22-28(44-24(2)40)14-10-26(30)12-16-32(36)38/h9-10,13-14,21-22,31-32H,7-8,11-12,15-20H2,1-6H3/t31-,32-,35-,36-,37+,38+/m1/s1
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n/an/an/an/a 1n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant LXRalpha expressed in Escherichia coli BL21 cells assessed as association of recombinant SRC1 to LXRalpha ligan...


Citation and Details
More data for this
Ligand-Target Pair
LXR-alpha


(Homo sapiens (human))
BDBM50167697
PNG
((4aR,9S)-6-Hydroxy-1,4a-dimethyl-1,2,3,4,4a,9,10,1...)
Show SMILES CC1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21
Show InChI InChI=1S/C34H43NO4/c1-31-15-5-17-33(3,27(31)13-9-21-7-11-23(36)19-25(21)31)29(38)35-30(39)34(4)18-6-16-32(2)26-20-24(37)12-8-22(26)10-14-28(32)34/h7-8,11-12,19-20,27-28,36-37H,5-6,9-10,13-18H2,1-4H3,(H,35,38,39)/t27-,28-,31-,32-,33+,34?/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration for cofactor association with recombinant liver X receptor-alpha


Citation and Details
More data for this
Ligand-Target Pair
LXR-alpha


(Homo sapiens (human))
BDBM50167697
PNG
((4aR,9S)-6-Hydroxy-1,4a-dimethyl-1,2,3,4,4a,9,10,1...)
Show SMILES CC1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21
Show InChI InChI=1S/C34H43NO4/c1-31-15-5-17-33(3,27(31)13-9-21-7-11-23(36)19-25(21)31)29(38)35-30(39)34(4)18-6-16-32(2)26-20-24(37)12-8-22(26)10-14-28(32)34/h7-8,11-12,19-20,27-28,36-37H,5-6,9-10,13-18H2,1-4H3,(H,35,38,39)/t27-,28-,31-,32-,33+,34?/m1/s1
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n/an/an/an/a 1n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration in recombinant human LXRalpha ligand binding domain in homogeneous time-resolved fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
LXR-alpha


(Homo sapiens (human))
BDBM50167698
PNG
(13-hydroxy-2,6-dimethyl-(2S,7R)-tricyclo[8.4.0.02,...)
Show SMILES CC1(CCCC2(C)C1CCc1ccc(O)cc21)C(=O)OC(=O)C1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21
Show InChI InChI=1S/C34H42O5/c1-31-15-5-17-33(3,27(31)13-9-21-7-11-23(35)19-25(21)31)29(37)39-30(38)34(4)18-6-16-32(2)26-20-24(36)12-8-22(26)10-14-28(32)34/h7-8,11-12,19-20,27-28,35-36H,5-6,9-10,13-18H2,1-4H3/t27-,28?,31-,32?,33?,34?/m1/s1
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n/an/an/an/a 1n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against liver X receptor-alpha in HEK293 cell transactivation assay


Citation and Details
More data for this
Ligand-Target Pair
LXR-alpha


(Homo sapiens (human))
BDBM50167698
PNG
(13-hydroxy-2,6-dimethyl-(2S,7R)-tricyclo[8.4.0.02,...)
Show SMILES CC1(CCCC2(C)C1CCc1ccc(O)cc21)C(=O)OC(=O)C1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21
Show InChI InChI=1S/C34H42O5/c1-31-15-5-17-33(3,27(31)13-9-21-7-11-23(35)19-25(21)31)29(37)39-30(38)34(4)18-6-16-32(2)26-20-24(36)12-8-22(26)10-14-28(32)34/h7-8,11-12,19-20,27-28,35-36H,5-6,9-10,13-18H2,1-4H3/t27-,28?,31-,32?,33?,34?/m1/s1
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n/an/an/an/a 1n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration for cofactor association with recombinant liver X receptor-alpha


Citation and Details
More data for this
Ligand-Target Pair
LXR-alpha


(Homo sapiens (human))
BDBM50167694
PNG
(2,6-dimethyl-13-methylcarbonyloxy-(2S)-tricyclo[8....)
Show SMILES CC(=O)Oc1ccc2CC[C@H]3C(C)(CCC[C@]3(C)c2c1)C(=O)OC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(OC(C)=O)cc21
Show InChI InChI=1S/C38H46O7/c1-23(39)43-27-13-9-25-11-15-31-35(3,29(25)21-27)17-7-19-37(31,5)33(41)45-34(42)38(6)20-8-18-36(4)30-22-28(44-24(2)40)14-10-26(30)12-16-32(36)38/h9-10,13-14,21-22,31-32H,7-8,11-12,15-20H2,1-6H3/t31-,32-,35-,36-,37+,38?/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration for cofactor association with recombinant liver X receptor-alpha


Citation and Details
More data for this
Ligand-Target Pair
LXR-alpha


(Homo sapiens (human))
BDBM50167694
PNG
(2,6-dimethyl-13-methylcarbonyloxy-(2S)-tricyclo[8....)
Show SMILES CC(=O)Oc1ccc2CC[C@H]3C(C)(CCC[C@]3(C)c2c1)C(=O)OC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(OC(C)=O)cc21
Show InChI InChI=1S/C38H46O7/c1-23(39)43-27-13-9-25-11-15-31-35(3,29(25)21-27)17-7-19-37(31,5)33(41)45-34(42)38(6)20-8-18-36(4)30-22-28(44-24(2)40)14-10-26(30)12-16-32(36)38/h9-10,13-14,21-22,31-32H,7-8,11-12,15-20H2,1-6H3/t31-,32-,35-,36-,37+,38?/m1/s1
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n/an/an/an/a 2n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration in transactivation assay using a chimeric LXR construct in HEK293 cells for LXRalpha receptor


Citation and Details
More data for this
Ligand-Target Pair
LXR-alpha


(Homo sapiens (human))
BDBM50167697
PNG
((4aR,9S)-6-Hydroxy-1,4a-dimethyl-1,2,3,4,4a,9,10,1...)
Show SMILES CC1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21
Show InChI InChI=1S/C34H43NO4/c1-31-15-5-17-33(3,27(31)13-9-21-7-11-23(36)19-25(21)31)29(38)35-30(39)34(4)18-6-16-32(2)26-20-24(37)12-8-22(26)10-14-28(32)34/h7-8,11-12,19-20,27-28,36-37H,5-6,9-10,13-18H2,1-4H3,(H,35,38,39)/t27-,28-,31-,32-,33+,34?/m1/s1
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n/an/an/an/a<3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against liver X receptor-alpha in HEK293 cell transactivation assay


Citation and Details
More data for this
Ligand-Target Pair
LXR-alpha


(Homo sapiens (human))
BDBM50167697
PNG
((4aR,9S)-6-Hydroxy-1,4a-dimethyl-1,2,3,4,4a,9,10,1...)
Show SMILES CC1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21
Show InChI InChI=1S/C34H43NO4/c1-31-15-5-17-33(3,27(31)13-9-21-7-11-23(36)19-25(21)31)29(38)35-30(39)34(4)18-6-16-32(2)26-20-24(37)12-8-22(26)10-14-28(32)34/h7-8,11-12,19-20,27-28,36-37H,5-6,9-10,13-18H2,1-4H3,(H,35,38,39)/t27-,28-,31-,32-,33+,34?/m1/s1
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n/an/an/an/a<3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration in transactivation assay using a chimeric LXR construct in HEK-293 cells for LXRalpha receptor


Citation and Details
More data for this
Ligand-Target Pair
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 3.20n/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at LXRalpha by TR-FRET assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
LXR-alpha


(Homo sapiens (human))
BDBM50034791
PNG
(CHEMBL3360960)
Show SMILES CS(=O)(=O)c1cccc(c1)-c1ccc(s1)-c1cc(c(C#N)c(=O)n1Cc1ccc(F)cc1F)C(F)(F)F
Show InChI InChI=1S/C25H15F5N2O3S2/c1-37(34,35)17-4-2-3-14(9-17)22-7-8-23(36-22)21-11-19(25(28,29)30)18(12-31)24(33)32(21)13-15-5-6-16(26)10-20(15)27/h2-11H,13H2,1H3
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n/an/an/an/a 4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Transactivation of LXRalpha (unknown origin) expressed in CV1 cells by luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
LXR-alpha


(Homo sapiens (human))
BDBM50415821
PNG
(CHEMBL1093554)
Show SMILES CS(=O)(=O)c1cccc(c1)-c1ccc(CN(Cc2c(F)cccc2Cl)S(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C27H23ClFNO4S2/c1-35(31,32)24-10-5-7-22(17-24)21-15-13-20(14-16-21)18-30(19-25-26(28)11-6-12-27(25)29)36(33,34)23-8-3-2-4-9-23/h2-17H,18-19H2,1H3
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n/an/an/an/a 6.30n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at LXRalpha ligand binding domain-mediated transcriptional activity in african green monkey CV1 cells co-transfected with Gal4-SRC1 ...


Citation and Details
More data for this
Ligand-Target Pair
LXR-alpha


(Homo sapiens (human))
BDBM50179860
PNG
(CHEMBL206738 | N-cyclopentyl-N-(4-(1,1,1,3,3,3-hex...)
Show SMILES OC(c1ccc(cc1)N(C1CCCC1)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H19F6NO3S/c21-19(22,23)18(28,20(24,25)26)14-10-12-16(13-11-14)27(15-6-4-5-7-15)31(29,30)17-8-2-1-3-9-17/h1-3,8-13,15,28H,4-7H2
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n/an/an/an/a 8n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activity against LXR alpha transiently transfected in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
LXR-alpha


(Homo sapiens (human))
BDBM50300569
PNG
((R)-2-(3-(3-((2-chloro-3-(trifluoromethyl)benzyl)(...)
Show SMILES C[C@H](CCOc1cccc(c1)C(C)(C)C(O)=O)N(CC(c1ccccc1)c1ccccc1)Cc1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1S/C36H37ClF3NO3/c1-25(20-21-44-30-18-11-17-29(22-30)35(2,3)34(42)43)41(23-28-16-10-19-32(33(28)37)36(38,39)40)24-31(26-12-6-4-7-13-26)27-14-8-5-9-15-27/h4-19,22,25,31H,20-21,23-24H2,1-3H3,(H,42,43)/t25-/m1/s1
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n/an/an/an/a 9n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human LXRalpha assessed as association of SRC1 to LXRalpha ligand binding domain by FRET based cell-free ligand sensing assay


Citation and Details
More data for this
Ligand-Target Pair
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 10n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activity against LXR alpha transiently transfected in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 10n/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
Agonist activity at LXRalpha ligand binding domain by FRET based SRC1 recruitment assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
LXR-alpha


(Homo sapiens (human))
BDBM50167694
PNG
(2,6-dimethyl-13-methylcarbonyloxy-(2S)-tricyclo[8....)
Show SMILES CC(=O)Oc1ccc2CC[C@H]3C(C)(CCC[C@]3(C)c2c1)C(=O)OC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(OC(C)=O)cc21
Show InChI InChI=1S/C38H46O7/c1-23(39)43-27-13-9-25-11-15-31-35(3,29(25)21-27)17-7-19-37(31,5)33(41)45-34(42)38(6)20-8-18-36(4)30-22-28(44-24(2)40)14-10-26(30)12-16-32(36)38/h9-10,13-14,21-22,31-32H,7-8,11-12,15-20H2,1-6H3/t31-,32-,35-,36-,37+,38?/m1/s1
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n/an/an/an/a 10n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against liver X receptor-alpha in HEK293 cell transactivation assay


Citation and Details
More data for this
Ligand-Target Pair
LXR-alpha


(Homo sapiens (human))
BDBM50415825
PNG
(CHEMBL1091034)
Show SMILES CS(=O)(=O)c1cccc(c1)-c1ccc(CN(Cc2ccc(F)cc2Cl)S(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C27H23ClFNO4S2/c1-35(31,32)26-9-5-6-22(16-26)21-12-10-20(11-13-21)18-30(19-23-14-15-24(29)17-27(23)28)36(33,34)25-7-3-2-4-8-25/h2-17H,18-19H2,1H3
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n/an/an/an/a 10n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at LXRalpha ligand binding domain-mediated transcriptional activity in african green monkey CV1 cells co-transfected with Gal4-SRC1 ...


Citation and Details
More data for this
Ligand-Target Pair
LXR-alpha


(Homo sapiens (human))
BDBM50167694
PNG
(2,6-dimethyl-13-methylcarbonyloxy-(2S)-tricyclo[8....)
Show SMILES CC(=O)Oc1ccc2CC[C@H]3C(C)(CCC[C@]3(C)c2c1)C(=O)OC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(OC(C)=O)cc21
Show InChI InChI=1S/C38H46O7/c1-23(39)43-27-13-9-25-11-15-31-35(3,29(25)21-27)17-7-19-37(31,5)33(41)45-34(42)38(6)20-8-18-36(4)30-22-28(44-24(2)40)14-10-26(30)12-16-32(36)38/h9-10,13-14,21-22,31-32H,7-8,11-12,15-20H2,1-6H3/t31-,32-,35-,36-,37+,38?/m1/s1
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n/an/an/an/a 10n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration in transactivation assay using a chimeric LXR construct in HEK-293 cells for LXRalpha receptor


Citation and Details
More data for this
Ligand-Target Pair
LXR-alpha


(Homo sapiens (human))
BDBM50179858
PNG
(1,1,1,3,3,3-hexafluoro-2-(1-(phenylsulfonyl)-2,3,4...)
Show SMILES OC(c1ccc2N(CCCCc2c1)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H17F6NO3S/c20-18(21,22)17(27,19(23,24)25)14-9-10-16-13(12-14)6-4-5-11-26(16)30(28,29)15-7-2-1-3-8-15/h1-3,7-10,12,27H,4-6,11H2
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n/an/an/an/a 10n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activity against LXR alpha transiently transfected in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
LXR-alpha


(Homo sapiens (human))
BDBM50415819
PNG
(CHEMBL1091976)
Show SMILES Cc1ccccc1S(=O)(=O)N(Cc1ccc(cc1)-c1cccc(c1)S(C)(=O)=O)Cc1c(F)cccc1Cl
Show InChI InChI=1S/C28H25ClFNO4S2/c1-20-7-3-4-12-28(20)37(34,35)31(19-25-26(29)10-6-11-27(25)30)18-21-13-15-22(16-14-21)23-8-5-9-24(17-23)36(2,32)33/h3-17H,18-19H2,1-2H3
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n/an/an/an/a 13n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at LXRalpha ligand binding domain-mediated transcriptional activity in african green monkey CV1 cells co-transfected with Gal4-SRC1 ...


Citation and Details
More data for this
Ligand-Target Pair
LXR-alpha


(Homo sapiens (human))
BDBM27174
PNG
(1H-indol-1-yl tertiary amine, 18 | 2-{4-[3-({[2-ch...)
Show SMILES OC(=O)Cn1ccc2c(OCCCN(CC(c3ccccc3)c3ccccc3)Cc3cccc(c3Cl)C(F)(F)F)cccc12
Show InChI InChI=1S/C35H32ClF3N2O3/c36-34-27(14-7-15-30(34)35(37,38)39)22-40(23-29(25-10-3-1-4-11-25)26-12-5-2-6-13-26)19-9-21-44-32-17-8-16-31-28(32)18-20-41(31)24-33(42)43/h1-8,10-18,20,29H,9,19,21-24H2,(H,42,43)
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n/an/an/an/a 14n/an/a7.522



GSK



Assay Description
The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
LXR-alpha


(Homo sapiens (human))
BDBM50034788
PNG
(CHEMBL3360963)
Show SMILES CS(=O)(=O)c1cccc(c1)-c1ccc(s1)-c1cc(nn1Cc1ccc(F)cc1F)C(F)(F)F
Show InChI InChI=1S/C22H15F5N2O2S2/c1-33(30,31)16-4-2-3-13(9-16)19-7-8-20(32-19)18-11-21(22(25,26)27)28-29(18)12-14-5-6-15(23)10-17(14)24/h2-11H,12H2,1H3
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n/an/an/an/a 18n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Transactivation of LXRalpha (unknown origin) expressed in CV1 cells by luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
LXR-alpha


(Homo sapiens (human))
BDBM50034790
PNG
(CHEMBL3360961)
Show SMILES Fc1ccc(Cn2c(cc(c(C#N)c2=O)C(F)(F)F)-c2ccc(Oc3ccccc3)cc2)c(F)c1
Show InChI InChI=1S/C26H15F5N2O2/c27-18-9-6-17(23(28)12-18)15-33-24(13-22(26(29,30)31)21(14-32)25(33)34)16-7-10-20(11-8-16)35-19-4-2-1-3-5-19/h1-13H,15H2
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n/an/an/an/a 20n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Transactivation of LXRalpha (unknown origin) expressed in CV1 cells by luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
LXR-alpha


(Homo sapiens (human))
BDBM50378590
PNG
(CHEMBL611735)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(Cc3ccccc3)nc3c(cccn23)C(F)(F)F)c1
Show InChI InChI=1S/C28H21F3N2O3S/c1-37(34,35)23-13-6-12-22(18-23)36-21-11-5-10-20(17-21)26-25(16-19-8-3-2-4-9-19)32-27-24(28(29,30)31)14-7-15-33(26)27/h2-15,17-18H,16H2,1H3
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n/an/an/an/a 20n/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human Gal4-LBD fused LXRalpha LBD expressed in Huh7 cells by transient transactivation assay


Citation and Details
More data for this
Ligand-Target Pair
LXR-alpha


(Homo sapiens (human))
BDBM50179864
PNG
(3-cyano-N-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxyprop...)
Show SMILES CN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1cccc(c1)C#N
Show InChI InChI=1S/C17H12F6N2O3S/c1-25(29(27,28)14-4-2-3-11(9-14)10-24)13-7-5-12(6-8-13)15(26,16(18,19)20)17(21,22)23/h2-9,26H,1H3
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n/an/an/an/a 20n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activity against LXR alpha transiently transfected in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
LXR-alpha


(Homo sapiens (human))
BDBM27173
PNG
(1H-indol-1-yl tertiary amine, 17 | {[2-chloro-3-(t...)
Show SMILES CS(=O)(=O)n1ccc2c(OCCCN(CC(c3ccccc3)c3ccccc3)Cc3cccc(c3Cl)C(F)(F)F)cccc12
Show InChI InChI=1S/C34H32ClF3N2O3S/c1-44(41,42)40-21-19-28-31(40)17-9-18-32(28)43-22-10-20-39(23-27-15-8-16-30(33(27)35)34(36,37)38)24-29(25-11-4-2-5-12-25)26-13-6-3-7-14-26/h2-9,11-19,21,29H,10,20,22-24H2,1H3
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n/an/an/an/a 20n/an/a7.522



GSK



Assay Description
The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...


Citation and Details
More data for this
Ligand-Target Pair
LXR-alpha


(Homo sapiens (human))
BDBM27164
PNG
(1H-indol-1-yl tertiary amine, 8 | {[2-chloro-3-(tr...)
Show SMILES Cc1cc(OCCCN(CC(c2ccccc2)c2ccccc2)Cc2cccc(c2Cl)C(F)(F)F)[nH]n1
Show InChI InChI=1S/C29H29ClF3N3O/c1-21-18-27(35-34-21)37-17-9-16-36(19-24-14-8-15-26(28(24)30)29(31,32)33)20-25(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-8,10-15,18,25H,9,16-17,19-20H2,1H3,(H,34,35)
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n/an/an/an/a 23n/an/a7.522



GSK



Assay Description
The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...


Citation and Details
More data for this
Ligand-Target Pair
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 28n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Transactivation of LXRalpha (unknown origin) expressed in CV1 cells by luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
LXR-alpha


(Homo sapiens (human))
BDBM50179877
PNG
(1,1,1,3,3,3-hexafluoro-2-(1-(phenylsulfonyl)-1,2,3...)
Show SMILES OC(c1ccc2N(CCCc2c1)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H15F6NO3S/c19-17(20,21)16(26,18(22,23)24)13-8-9-15-12(11-13)5-4-10-25(15)29(27,28)14-6-2-1-3-7-14/h1-3,6-9,11,26H,4-5,10H2
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n/an/an/an/a 30n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activity against LXR alpha transiently transfected in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
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 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...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
LXR-alpha


(Homo sapiens (human))
BDBM50241886
PNG
((3S,5R,10S,13R,14R,15S,17R)-4,4,10,13,14-pentameth...)
Show SMILES C[C@H](CCC=C(C)C)[C@H]1C[C@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C
Show InChI InChI=1S/C30H48O2/c1-19(2)10-9-11-20(3)23-18-26(32)30(8)22-12-13-24-27(4,5)25(31)15-16-28(24,6)21(22)14-17-29(23,30)7/h10,12,14,20,23-26,31-32H,9,11,13,15-18H2,1-8H3/t20-,23-,24+,25+,26+,28-,29-,30-/m1/s1
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n/an/an/an/a 30n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant LXRalpha expressed in Escherichia coli BL21 cells assessed as association of recombinant SRC1 to LXRalpha ligan...


Citation and Details
More data for this
Ligand-Target Pair
LXR-alpha


(Homo sapiens (human))
BDBM50179872
PNG
(CHEMBL206674 | biphenyl-3-sulfonic acid methyl-[4-...)
Show SMILES CN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C22H17F6NO3S/c1-29(18-12-10-17(11-13-18)20(30,21(23,24)25)22(26,27)28)33(31,32)19-9-5-8-16(14-19)15-6-3-2-4-7-15/h2-14,30H,1H3
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n/an/an/an/a 30n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activity against LXR alpha transiently transfected in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
LXR-alpha


(Homo sapiens (human))
BDBM50305077
PNG
(3-methyl-4-(3-(3-(methylsulfonyl)phenoxy)phenyl)-8...)
Show SMILES Cc1cnc2c(cccc2c1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1)C(F)(F)F
Show InChI InChI=1S/C24H18F3NO3S/c1-15-14-28-23-20(10-5-11-21(23)24(25,26)27)22(15)16-6-3-7-17(12-16)31-18-8-4-9-19(13-18)32(2,29)30/h3-14H,1-2H3
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n/an/an/an/a 31n/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human recombinant LXRalpha LBD


Citation and Details
More data for this
Ligand-Target Pair
LXR-alpha


(Homo sapiens (human))
BDBM50378593
PNG
(CHEMBL612007)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(CN3CCSC3)nc3c(cccn23)C(F)(F)F)c1
Show InChI InChI=1S/C25H22F3N3O3S2/c1-36(32,33)20-8-3-7-19(14-20)34-18-6-2-5-17(13-18)23-22(15-30-11-12-35-16-30)29-24-21(25(26,27)28)9-4-10-31(23)24/h2-10,13-14H,11-12,15-16H2,1H3
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n/an/an/an/a 32n/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human Gal4-LBD fused LXRalpha LBD expressed in Huh7 cells by transient transactivation assay


Citation and Details
More data for this
Ligand-Target Pair
LXR-alpha


(Homo sapiens (human))
BDBM50126018
PNG
(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)
Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H21ClF3NO4S/c1-2-4-14-17(7-6-15-20(14)31-27-21(15)22(24,25)26)30-9-3-10-32-18-8-5-13(11-16(18)23)12-19(28)29/h5-8,11H,2-4,9-10,12H2,1H3,(H,28,29)
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n/an/an/an/a 35n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration for cofactor association with recombinant liver X receptor-alpha


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
LXR-alpha


(Homo sapiens (human))
BDBM50126018
PNG
(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)
Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H21ClF3NO4S/c1-2-4-14-17(7-6-15-20(14)31-27-21(15)22(24,25)26)30-9-3-10-32-18-8-5-13(11-16(18)23)12-19(28)29/h5-8,11H,2-4,9-10,12H2,1H3,(H,28,29)
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n/an/an/an/a 35n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant LXRalpha expressed in Escherichia coli BL21 cells assessed as association of recombinant SRC1 to LXRalpha ligan...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
LXR-alpha


(Homo sapiens (human))
BDBM50126018
PNG
(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)
Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H21ClF3NO4S/c1-2-4-14-17(7-6-15-20(14)31-27-21(15)22(24,25)26)30-9-3-10-32-18-8-5-13(11-16(18)23)12-19(28)29/h5-8,11H,2-4,9-10,12H2,1H3,(H,28,29)
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n/an/an/an/a 35n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration for cofactor association with recombinant liver X receptor-alpha


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
LXR-alpha


(Homo sapiens (human))
BDBM27172
PNG
(1H-indol-1-yl tertiary amine, 16 | {[2-chloro-3-(t...)
Show SMILES Cn1ccc2c(OCCCN(CC(c3ccccc3)c3ccccc3)Cc3cccc(c3Cl)C(F)(F)F)cccc12
Show InChI InChI=1S/C34H32ClF3N2O/c1-39-21-19-28-31(39)17-9-18-32(28)41-22-10-20-40(23-27-15-8-16-30(33(27)35)34(36,37)38)24-29(25-11-4-2-5-12-25)26-13-6-3-7-14-26/h2-9,11-19,21,29H,10,20,22-24H2,1H3
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n/an/an/an/a 39n/an/a7.522



GSK



Assay Description
The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...


Citation and Details
More data for this
Ligand-Target Pair
LXR-alpha


(Homo sapiens (human))
BDBM50179866
PNG
(CHEMBL380851 | N-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES CC(C)CN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1cccs1
Show InChI InChI=1S/C17H17F6NO3S2/c1-11(2)10-24(29(26,27)14-4-3-9-28-14)13-7-5-12(6-8-13)15(25,16(18,19)20)17(21,22)23/h3-9,11,25H,10H2,1-2H3
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n/an/an/an/a 40n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activity against LXR alpha transiently transfected in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
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 40n/an/a7.522



Tanabe Research Laboratories USA



Assay Description
Polyhistidine-tagged human LXR ligand-binding domain was mixed with the test compound, biotin-SRC1 peptide, streptavidin-allophycocyanin, and europiu...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
LXR-alpha


(Homo sapiens (human))
BDBM50300572
PNG
(2-(3-(3-((2-chloro-3-(trifluoromethyl)benzyl)(2,2-...)
Show SMILES CC(C)(C(O)=O)c1cccc(OCCCN(CC(c2ccccc2)c2ccccc2)Cc2cccc(c2Cl)C(F)(F)F)c1
Show InChI InChI=1S/C35H35ClF3NO3/c1-34(2,33(41)42)28-17-10-18-29(22-28)43-21-11-20-40(23-27-16-9-19-31(32(27)36)35(37,38)39)24-30(25-12-5-3-6-13-25)26-14-7-4-8-15-26/h3-10,12-19,22,30H,11,20-21,23-24H2,1-2H3,(H,41,42)
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n/an/an/an/a 43n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human LXRalpha assessed as association of SRC1 to LXRalpha ligand binding domain by FRET based cell-free ligand sensing assay


Citation and Details
More data for this
Ligand-Target Pair
LXR-alpha


(Homo sapiens (human))
BDBM20173
PNG
(2-{3-[3-({[2-chloro-3-(trifluoromethyl)phenyl]meth...)
Show SMILES NC(=O)Cc1cccc(OCCCN(CC(c2ccccc2)c2ccccc2)Cc2cccc(c2Cl)C(F)(F)F)c1
Show InChI InChI=1S/C33H32ClF3N2O2/c34-32-27(15-8-17-30(32)33(35,36)37)22-39(18-9-19-41-28-16-7-10-24(20-28)21-31(38)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,(H2,38,40)
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n/an/an/an/a 45n/an/a7.522



GlaxoSmithKline



Assay Description
The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...


J Med Chem 45: 1963-6 (2002)

More data for this
Ligand-Target Pair
LXR-alpha


(Homo sapiens (human))
BDBM50300571
PNG
(2-(3-(3-((2-chloro-3-(trifluoromethyl)benzyl)(2,2-...)
Show SMILES CC(C(O)=O)c1cccc(OCCCN(CC(c2ccccc2)c2ccccc2)Cc2cccc(c2Cl)C(F)(F)F)c1
Show InChI InChI=1S/C34H33ClF3NO3/c1-24(33(40)41)27-15-8-17-29(21-27)42-20-10-19-39(22-28-16-9-18-31(32(28)35)34(36,37)38)23-30(25-11-4-2-5-12-25)26-13-6-3-7-14-26/h2-9,11-18,21,24,30H,10,19-20,22-23H2,1H3,(H,40,41)
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n/an/an/an/a 46n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human LXRalpha assessed as association of SRC1 to LXRalpha ligand binding domain by FRET based cell-free ligand sensing assay


Citation and Details
More data for this
Ligand-Target Pair
LXR-alpha


(Homo sapiens (human))
BDBM50172204
PNG
((1S,4aS,10aR)-6-Hydroxy-1,4a-dimethyl-1,2,3,4,4a,9...)
Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NCC1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C30H39NO2/c1-28-16-9-17-29(2,26(28)15-13-22-12-14-24(32)20-25(22)28)27(33)31-21-30(18-7-4-8-19-30)23-10-5-3-6-11-23/h3,5-6,10-12,14,20,26,32H,4,7-9,13,15-19,21H2,1-2H3,(H,31,33)/t26-,28-,29+/m1/s1
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n/an/an/an/a 50n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration in transactivation assay using a chimeric LXR construct in HEK293 cells for LXRalpha receptor


Citation and Details
More data for this
Ligand-Target Pair
LXR-alpha


(Homo sapiens (human))
BDBM20156
PNG
(1-benzyl-3-[(4-methoxyphenyl)amino]-4-phenyl-2,5-d...)
Show SMILES COc1ccc(NC2=C(C(=O)N(Cc3ccccc3)C2=O)c2ccccc2)cc1
Show InChI InChI=1S/C24H20N2O3/c1-29-20-14-12-19(13-15-20)25-22-21(18-10-6-3-7-11-18)23(27)26(24(22)28)16-17-8-4-2-5-9-17/h2-15,25H,16H2,1H3
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n/an/an/an/a 50n/an/a7.522



GlaxoSmithKline



Assay Description
The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
LXR-alpha


(Homo sapiens (human))
BDBM50241902
PNG
(CHEMBL486198 | Gorgost-5-ene-3beta,9alpha,11alpha-...)
Show SMILES CC(C)[C@H](C)[C@@]1(C)C[C@@H]1[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@]3(O)[C@H](O)C[C@]12C
Show InChI InChI=1S/C30H52O5/c1-16(2)18(4)26(5)14-23(26)17(3)20-8-9-21-22-12-24(32)29(34)13-19(31)10-11-28(29,7)30(22,35)25(33)15-27(20,21)6/h16-25,31-35H,8-15H2,1-7H3/t17-,18-,19-,20+,21-,22-,23+,24+,25+,26+,27+,28-,29-,30-/m0/s1
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n/an/an/an/a 50n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant LXRalpha expressed in Escherichia coli BL21 cells assessed as association of recombinant SRC1 to LXRalpha ligan...


Citation and Details
More data for this
Ligand-Target Pair
LXR-alpha


(Homo sapiens (human))
BDBM50179880
PNG
(1,1,1,3,3,3-hexafluoro-2-(1-(phenylsulfonyl)indoli...)
Show SMILES OC(c1ccc2N(CCc2c1)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H13F6NO3S/c18-16(19,20)15(25,17(21,22)23)12-6-7-14-11(10-12)8-9-24(14)28(26,27)13-4-2-1-3-5-13/h1-7,10,25H,8-9H2
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n/an/an/an/a 50n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activity against LXR alpha transiently transfected in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
LXR-alpha


(Homo sapiens (human))
BDBM50034780
PNG
(CHEMBL3360970)
Show SMILES CS(=O)(=O)c1cccc(c1)-c1ccc(cc1)-n1cc(nc1-c1ccccc1Cl)C(F)(F)F
Show InChI InChI=1S/C23H16ClF3N2O2S/c1-32(30,31)18-6-4-5-16(13-18)15-9-11-17(12-10-15)29-14-21(23(25,26)27)28-22(29)19-7-2-3-8-20(19)24/h2-14H,1H3
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n/an/an/an/a 52n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Transactivation of LXRalpha (unknown origin) expressed in CV1 cells by luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
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 55n/an/a7.522



GlaxoSmithKline



Assay Description
The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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