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Compile Data Set for Download or QSAR

Found 1869 hits Enz. Inhib. hit(s) with Target = 'Liver X receptor beta (LXRB)'   
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
Liver X receptor beta (LXRB)


(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
Displacement of [3H2]-F3-methyl AA (1) from liver X receptor-beta in SPA assay


Citation and Details
More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(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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Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]TO901317 from human recombinant LXRbeta expressed in Escherichia coli by flashplate method


Citation and Details
More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(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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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H2]-F3-methyl AA (1) from liver X receptor-beta in SPA assay


Citation and Details
More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(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
Inhibitory concentration in LXRSPA beta binding assay


Citation and Details
More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50317735
PNG
(3-benzyl-4-(3'-(methylsulfonyl)biphenyl-3-yl)-8-(t...)
Show SMILES CS(=O)(=O)c1cccc(c1)-c1cccc(c1)-c1c(Cc2ccccc2)cnc2c(cccc12)C(F)(F)F
Show InChI InChI=1S/C30H22F3NO2S/c1-37(35,36)25-13-6-11-22(18-25)21-10-5-12-23(17-21)28-24(16-20-8-3-2-4-9-20)19-34-29-26(28)14-7-15-27(29)30(31,32)33/h2-15,17-19H,16H2,1H3
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Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from LXRbeta ligand binding domain


Citation and Details
More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50317744
PNG
(4-(4'-fluoro-3'-(methylsulfonyl)biphenyl-3-yl)-3-m...)
Show SMILES Cc1cnc2c(cccc2c1-c1cccc(c1)-c1ccc(F)c(c1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C24H17F4NO2S/c1-14-13-29-23-18(7-4-8-19(23)24(26,27)28)22(14)17-6-3-5-15(11-17)16-9-10-20(25)21(12-16)32(2,30)31/h3-13H,1-2H3
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Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from LXRbeta ligand binding domain


Citation and Details
More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50317733
PNG
(3-methyl-4-(3'-(methylsulfonyl)biphenyl-3-yl)-8-(t...)
Show SMILES Cc1cnc2c(cccc2c1-c1cccc(c1)-c1cccc(c1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C24H18F3NO2S/c1-15-14-28-23-20(10-5-11-21(23)24(25,26)27)22(15)18-8-3-6-16(12-18)17-7-4-9-19(13-17)31(2,29)30/h3-14H,1-2H3
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Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from LXRbeta ligand binding domain


Citation and Details
More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM20000
PNG
(2-(4-{3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl...)
Show SMILES OC(=O)Cc1ccc(COc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)cc1
Show InChI InChI=1S/C32H24F3NO3/c33-32(34,35)28-11-5-10-27-30(25(19-36-31(27)28)16-21-6-2-1-3-7-21)24-8-4-9-26(18-24)39-20-23-14-12-22(13-15-23)17-29(37)38/h1-15,18-19H,16-17,20H2,(H,37,38)
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Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at human LXRbeta


Citation and Details
More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50227163
PNG
(2-(4-((3-(3-benzoyl-8-(trifluoromethyl)quinolin-5-...)
Show SMILES CC#CCC(C(O)=O)c1ccc(COc2cccc(c2)-c2ccc(c3ncc(cc23)C(=O)c2ccccc2)C(F)(F)F)cc1
Show InChI InChI=1S/C36H26F3NO4/c1-2-3-12-30(35(42)43)24-15-13-23(14-16-24)22-44-28-11-7-10-26(19-28)29-17-18-32(36(37,38)39)33-31(29)20-27(21-40-33)34(41)25-8-5-4-6-9-25/h4-11,13-21,30H,12,22H2,1H3,(H,42,43)
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Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at human LXRbeta


Citation and Details
More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50227161
PNG
(2-(4-(3-(3-benzyl-8-(trifluoromethyl)quinolin-4-yl...)
Show SMILES OC(=O)Cc1ccc(NCc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)c2ccccc12
Show InChI InChI=1S/C36H27F3N2O2/c37-36(38,39)31-15-7-14-30-34(27(22-41-35(30)31)18-23-8-2-1-3-9-23)26-11-6-10-24(19-26)21-40-32-17-16-25(20-33(42)43)28-12-4-5-13-29(28)32/h1-17,19,22,40H,18,20-21H2,(H,42,43)
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Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at human LXRbeta


Citation and Details
More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(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
Inhibitory concentration in LXRSPA beta binding assay


Citation and Details
More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(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
Displacement of [3H2]-F3-methyl AA (1) from liver X receptor-beta in SPA assay


Citation and Details
More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50305501
PNG
(CHEMBL590098 | ethyl 4-(3-(3-(methylsulfonyl)pheno...)
Show SMILES CCOC(=O)c1cnc2c(cccc2c1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1)C(F)(F)F
Show InChI InChI=1S/C26H20F3NO5S/c1-3-34-25(31)21-15-30-24-20(11-6-12-22(24)26(27,28)29)23(21)16-7-4-8-17(13-16)35-18-9-5-10-19(14-18)36(2,32)33/h4-15H,3H2,1-2H3
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Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]TO901317 from human recombinant LXRbeta expressed in Escherichia coli by flashplate method


Citation and Details
More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50305075
PNG
(3-benzyl-4-(3-(3-(methylsulfonyl)phenoxy)phenyl)-8...)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)c1
Show InChI InChI=1S/C30H22F3NO3S/c1-38(35,36)25-13-6-12-24(18-25)37-23-11-5-10-21(17-23)28-22(16-20-8-3-2-4-9-20)19-34-29-26(28)14-7-15-27(29)30(31,32)33/h2-15,17-19H,16H2,1H3
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Wyeth Pharmaceuticals

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50192148
PNG
(2-(3-chloro-4-(ethyl(thiazol-4-ylmethyl)amino)phen...)
Show SMILES CCN(Cc1cscn1)c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H13ClF6N2OS/c1-2-24(6-10-7-26-8-23-10)12-4-3-9(5-11(12)16)13(25,14(17,18)19)15(20,21)22/h3-5,7-8,25H,2,6H2,1H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to LXRbeta by radioligand displacement assay


Citation and Details
More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50227146
PNG
(2-(4-(3-(3-benzyl-8-(trifluoromethyl)quinolin-4-yl...)
Show SMILES Cc1cc(NCc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)c(C)cc1CC(O)=O
Show InChI InChI=1S/C34H29F3N2O2/c1-21-15-30(22(2)14-26(21)18-31(40)41)38-19-24-10-6-11-25(17-24)32-27(16-23-8-4-3-5-9-23)20-39-33-28(32)12-7-13-29(33)34(35,36)37/h3-15,17,20,38H,16,18-19H2,1-2H3,(H,40,41)
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Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at human LXRbeta


Citation and Details
More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50305499
PNG
(4-(3-(3-(methylsulfonyl)phenoxy)phenyl)-8-(trifluo...)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C#N)c1
Show InChI InChI=1S/C24H15F3N2O3S/c1-33(30,31)19-8-3-7-18(12-19)32-17-6-2-5-15(11-17)22-16(13-28)14-29-23-20(22)9-4-10-21(23)24(25,26)27/h2-12,14H,1H3
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n/an/a 2.20n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]TO901317 from human recombinant LXRbeta expressed in Escherichia coli by flashplate method


Citation and Details
More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(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/a 2.40n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(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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Wyeth Pharmaceuticals

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(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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Wyeth Pharmaceuticals

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50317737
PNG
(3-ethyl-4-(3'-(methylsulfonyl)biphenyl-3-yl)-8-(tr...)
Show SMILES CCc1cnc2c(cccc2c1-c1cccc(c1)-c1cccc(c1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C25H20F3NO2S/c1-3-16-15-29-24-21(11-6-12-22(24)25(26,27)28)23(16)19-9-4-7-17(13-19)18-8-5-10-20(14-18)32(2,30)31/h4-15H,3H2,1-2H3
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Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from LXRbeta ligand binding domain


Citation and Details
More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50317746
PNG
(4-(4'-fluoro-3'-(methylsulfonyl)biphenyl-3-yl)-8-(...)
Show SMILES CS(=O)(=O)c1cc(ccc1F)-c1cccc(c1)-c1ccnc2c(cccc12)C(F)(F)F
Show InChI InChI=1S/C23H15F4NO2S/c1-31(29,30)21-13-15(8-9-20(21)24)14-4-2-5-16(12-14)17-10-11-28-22-18(17)6-3-7-19(22)23(25,26)27/h2-13H,1H3
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n/an/a 2.60n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from LXRbeta ligand binding domain


Citation and Details
More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50306074
PNG
(2-(4-fluorobenzyl)-1-(3-(3-(methylsulfonyl)phenoxy...)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-n2c(Cc3ccc(F)cc3)nc3c(cccc23)C(F)(F)F)c1
Show InChI InChI=1S/C28H20F4N2O3S/c1-38(35,36)23-8-3-7-22(17-23)37-21-6-2-5-20(16-21)34-25-10-4-9-24(28(30,31)32)27(25)33-26(34)15-18-11-13-19(29)14-12-18/h2-14,16-17H,15H2,1H3
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n/an/a 2.60n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50192109
PNG
(2-(4-(benzyl(2,2,2-trifluoroethyl)amino)-3-chlorop...)
Show SMILES OC(c1ccc(N(Cc2ccccc2)CC(F)(F)F)c(Cl)c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H13ClF9NO/c19-13-8-12(16(30,17(23,24)25)18(26,27)28)6-7-14(13)29(10-15(20,21)22)9-11-4-2-1-3-5-11/h1-8,30H,9-10H2
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n/an/a 3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to LXRbeta by radioligand displacement assay


Citation and Details
More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50192136
PNG
(2-(4-(ethyl((5-methyl-2-(3-(trifluoromethyl)phenyl...)
Show SMILES CCN(Cc1nc(oc1C)-c1cccc(c1)C(F)(F)F)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H19F9N2O2/c1-3-34(17-9-7-15(8-10-17)20(35,22(27,28)29)23(30,31)32)12-18-13(2)36-19(33-18)14-5-4-6-16(11-14)21(24,25)26/h4-11,35H,3,12H2,1-2H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to LXRbeta by radioligand displacement assay


Citation and Details
More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50192144
PNG
(2-(3-chloro-4-(ethyl(phenethyl)amino)phenyl)-1,1,1...)
Show SMILES CCN(CCc1ccccc1)c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H18ClF6NO/c1-2-27(11-10-13-6-4-3-5-7-13)16-9-8-14(12-15(16)20)17(28,18(21,22)23)19(24,25)26/h3-9,12,28H,2,10-11H2,1H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to LXRbeta by radioligand displacement assay


Citation and Details
More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50192134
PNG
(2-(4-(benzyl(ethyl)amino)-3-chlorophenyl)-1,1,1,3,...)
Show SMILES CCN(Cc1ccccc1)c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H16ClF6NO/c1-2-26(11-12-6-4-3-5-7-12)15-9-8-13(10-14(15)19)16(27,17(20,21)22)18(23,24)25/h3-10,27H,2,11H2,1H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to LXRbeta by radioligand displacement assay


Citation and Details
More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50227156
PNG
(2-(4-((3-(3-benzyl-8-(trifluoromethyl)quinolin-4-y...)
Show SMILES Cc1cc(CC(O)=O)c(C)cc1COc1cccc(c1)-c1c(Cc2ccccc2)cnc2c(cccc12)C(F)(F)F
Show InChI InChI=1S/C34H28F3NO3/c1-21-15-27(22(2)14-25(21)18-31(39)40)20-41-28-11-6-10-24(17-28)32-26(16-23-8-4-3-5-9-23)19-38-33-29(32)12-7-13-30(33)34(35,36)37/h3-15,17,19H,16,18,20H2,1-2H3,(H,39,40)
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Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at human LXRbeta


Citation and Details
More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50306072
PNG
(2-isobutyl-1-(3-(3-(methylsulfonyl)phenoxy)phenyl)...)
Show SMILES CC(C)Cc1nc2c(cccc2n1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1)C(F)(F)F
Show InChI InChI=1S/C25H23F3N2O3S/c1-16(2)13-23-29-24-21(25(26,27)28)11-6-12-22(24)30(23)17-7-4-8-18(14-17)33-19-9-5-10-20(15-19)34(3,31)32/h4-12,14-16H,13H2,1-3H3
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n/an/a 3.20n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50317742
PNG
(3-methyl-4-(4'-methyl-3'-(methylsulfonyl)biphenyl-...)
Show SMILES Cc1ccc(cc1S(C)(=O)=O)-c1cccc(c1)-c1c(C)cnc2c(cccc12)C(F)(F)F
Show InChI InChI=1S/C25H20F3NO2S/c1-15-10-11-18(13-22(15)32(3,30)31)17-6-4-7-19(12-17)23-16(2)14-29-24-20(23)8-5-9-21(24)25(26,27)28/h4-14H,1-3H3
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n/an/a 3.20n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from LXRbeta ligand binding domain


Citation and Details
More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50305073
PNG
(3-benzyl-8-chloro-4-(3-(3-(methylsulfonyl)phenoxy)...)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(Cl)cccc23)c1
Show InChI InChI=1S/C29H22ClNO3S/c1-35(32,33)25-13-6-12-24(18-25)34-23-11-5-10-21(17-23)28-22(16-20-8-3-2-4-9-20)19-31-29-26(28)14-7-15-27(29)30/h2-15,17-19H,16H2,1H3
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Wyeth Pharmaceuticals

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50317745
PNG
(4-(2',4'-difluoro-5'-(methylsulfonyl)biphenyl-3-yl...)
Show SMILES Cc1cnc2c(cccc2c1-c1cccc(c1)-c1cc(c(F)cc1F)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C24H16F5NO2S/c1-13-12-30-23-16(7-4-8-18(23)24(27,28)29)22(13)15-6-3-5-14(9-15)17-10-21(33(2,31)32)20(26)11-19(17)25/h3-12H,1-2H3
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n/an/a 3.30n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from LXRbeta ligand binding domain


Citation and Details
More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50305072
PNG
(8-chloro-3-methyl-4-(3-(3-(methylsulfonyl)phenoxy)...)
Show SMILES Cc1cnc2c(Cl)cccc2c1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1
Show InChI InChI=1S/C23H18ClNO3S/c1-15-14-25-23-20(10-5-11-21(23)24)22(15)16-6-3-7-17(12-16)28-18-8-4-9-19(13-18)29(2,26)27/h3-14H,1-2H3
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n/an/a 3.40n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50317738
PNG
(4-(3'-(methylsulfonyl)biphenyl-3-yl)-3-propyl-8-(t...)
Show SMILES CCCc1cnc2c(cccc2c1-c1cccc(c1)-c1cccc(c1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C26H22F3NO2S/c1-3-7-20-16-30-25-22(12-6-13-23(25)26(27,28)29)24(20)19-10-4-8-17(14-19)18-9-5-11-21(15-18)33(2,31)32/h4-6,8-16H,3,7H2,1-2H3
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n/an/a 3.80n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from LXRbeta ligand binding domain


Citation and Details
More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50192137
PNG
(2-(3-chloro-4-(((2-(3-chlorophenyl)-5-methyloxazol...)
Show SMILES CCN(Cc1nc(oc1C)-c1cccc(Cl)c1)c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H18Cl2F6N2O2/c1-3-32(11-17-12(2)34-19(31-17)13-5-4-6-15(23)9-13)18-8-7-14(10-16(18)24)20(33,21(25,26)27)22(28,29)30/h4-10,33H,3,11H2,1-2H3
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n/an/a 4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to LXRbeta by radioligand displacement assay


Citation and Details
More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50227158
PNG
(2-(4-(3-(3-benzyl-8-(trifluoromethyl)quinolin-4-yl...)
Show SMILES Cc1cc(OCc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)c(C)cc1CC(O)=O
Show InChI InChI=1S/C34H28F3NO3/c1-21-15-30(22(2)14-26(21)18-31(39)40)41-20-24-10-6-11-25(17-24)32-27(16-23-8-4-3-5-9-23)19-38-33-28(32)12-7-13-29(33)34(35,36)37/h3-15,17,19H,16,18,20H2,1-2H3,(H,39,40)
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Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at human LXRbeta


Citation and Details
More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50227159
PNG
(2-(4-(3-(3-benzyl-8-(trifluoromethyl)quinolin-4-yl...)
Show SMILES Cc1c(C)c(NCc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)ccc1CC(O)=O
Show InChI InChI=1S/C34H29F3N2O2/c1-21-22(2)30(15-14-25(21)18-31(40)41)38-19-24-10-6-11-26(17-24)32-27(16-23-8-4-3-5-9-23)20-39-33-28(32)12-7-13-29(33)34(35,36)37/h3-15,17,20,38H,16,18-19H2,1-2H3,(H,40,41)
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Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at human LXRbeta


Citation and Details
More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50305067
PNG
(4-(3-(3-(isopropylsulfonyl)phenoxy)phenyl)-8-(trif...)
Show SMILES CC(C)S(=O)(=O)c1cccc(Oc2cccc(c2)-c2ccnc3c(cccc23)C(F)(F)F)c1
Show InChI InChI=1S/C25H20F3NO3S/c1-16(2)33(30,31)20-9-4-8-19(15-20)32-18-7-3-6-17(14-18)21-12-13-29-24-22(21)10-5-11-23(24)25(26,27)28/h3-16H,1-2H3
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Wyeth Pharmaceuticals

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(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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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [N-methyl-3H]T1317 from human biotinylated LXRbeta LBD after 3 hrs by LEAD seeker binding assay


Citation and Details
More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50317739
PNG
(3-isopropyl-4-(3'-(methylsulfonyl)biphenyl-3-yl)-8...)
Show SMILES CC(C)c1cnc2c(cccc2c1-c1cccc(c1)-c1cccc(c1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C26H22F3NO2S/c1-16(2)22-15-30-25-21(11-6-12-23(25)26(27,28)29)24(22)19-9-4-7-17(13-19)18-8-5-10-20(14-18)33(3,31)32/h4-16H,1-3H3
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n/an/a 4.10n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from LXRbeta ligand binding domain


Citation and Details
More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50317731
PNG
(4-(3'-(methylsulfonyl)biphenyl-3-yl)-8-(trifluorom...)
Show SMILES CS(=O)(=O)c1cccc(c1)-c1cccc(c1)-c1ccnc2c(cccc12)C(F)(F)F
Show InChI InChI=1S/C23H16F3NO2S/c1-30(28,29)18-8-3-6-16(14-18)15-5-2-7-17(13-15)19-11-12-27-22-20(19)9-4-10-21(22)23(24,25)26/h2-14H,1H3
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n/an/a 4.40n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from LXRbeta ligand binding domain


Citation and Details
More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50305064
PNG
(3-(3-(3-(3-methyl-8-(trifluoromethyl)quinolin-4-yl...)
Show SMILES Cc1cnc2c(cccc2c1-c1cccc(Oc2cccc(c2)S(=O)(=O)CCCO)c1)C(F)(F)F
Show InChI InChI=1S/C26H22F3NO4S/c1-17-16-30-25-22(10-4-11-23(25)26(27,28)29)24(17)18-6-2-7-19(14-18)34-20-8-3-9-21(15-20)35(32,33)13-5-12-31/h2-4,6-11,14-16,31H,5,12-13H2,1H3
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n/an/a 4.70n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50306073
PNG
(1-(3-(3-(methylsulfonyl)phenoxy)phenyl)-2-phenyl-4...)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-n2c(nc3c(cccc23)C(F)(F)F)-c2ccccc2)c1
Show InChI InChI=1S/C27H19F3N2O3S/c1-36(33,34)22-13-6-12-21(17-22)35-20-11-5-10-19(16-20)32-24-15-7-14-23(27(28,29)30)25(24)31-26(32)18-8-3-2-4-9-18/h2-17H,1H3
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n/an/a 4.70n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50317747
PNG
(4-(2',4'-difluoro-5'-(methylsulfonyl)biphenyl-3-yl...)
Show SMILES CS(=O)(=O)c1cc(c(F)cc1F)-c1cccc(c1)-c1ccnc2c(cccc12)C(F)(F)F
Show InChI InChI=1S/C23H14F5NO2S/c1-32(30,31)21-11-17(19(24)12-20(21)25)14-5-2-4-13(10-14)15-8-9-29-22-16(15)6-3-7-18(22)23(26,27)28/h2-12H,1H3
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n/an/a 4.90n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from LXRbeta ligand binding domain


Citation and Details
More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50192117
PNG
(2-(4-(((2-(3-chlorophenyl)-5-methyloxazol-4-yl)met...)
Show SMILES CCN(Cc1nc(oc1C)-c1cccc(Cl)c1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H19ClF6N2O2/c1-3-31(12-18-13(2)33-19(30-18)14-5-4-6-16(23)11-14)17-9-7-15(8-10-17)20(32,21(24,25)26)22(27,28)29/h4-11,32H,3,12H2,1-2H3
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n/an/a 5n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to LXRbeta by radioligand displacement assay


Citation and Details
More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50227160
PNG
(2-(4-((3-(3-benzoyl-8-(trifluoromethyl)quinolin-5-...)
Show SMILES OC(=O)C(CC=C)c1ccc(COc2cccc(c2)-c2ccc(c3ncc(cc23)C(=O)c2ccccc2)C(F)(F)F)cc1
Show InChI InChI=1S/C35H26F3NO4/c1-2-7-29(34(41)42)23-14-12-22(13-15-23)21-43-27-11-6-10-25(18-27)28-16-17-31(35(36,37)38)32-30(28)19-26(20-39-32)33(40)24-8-4-3-5-9-24/h2-6,8-20,29H,1,7,21H2,(H,41,42)
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n/an/a 5n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at human LXRbeta


Citation and Details
More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50227151
PNG
(2-(5-(3-(3-benzyl-8-(trifluoromethyl)quinolin-4-yl...)
Show SMILES OC(=O)Cc1cccc2c(NCc3cccc(c3)-c3c(Cc4ccccc4)cnc4c(cccc34)C(F)(F)F)cccc12
Show InChI InChI=1S/C36H27F3N2O2/c37-36(38,39)31-16-6-15-30-34(27(22-41-35(30)31)18-23-8-2-1-3-9-23)26-12-4-10-24(19-26)21-40-32-17-7-13-28-25(20-33(42)43)11-5-14-29(28)32/h1-17,19,22,40H,18,20-21H2,(H,42,43)
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Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at human LXRbeta


Citation and Details
More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50227162
PNG
(2-(4-((3-(3-benzoyl-8-(trifluoromethyl)quinolin-5-...)
Show SMILES OC(=O)Cc1ccc(COc2cccc(c2)-c2ccc(c3ncc(cc23)C(=O)c2ccccc2)C(F)(F)F)cc1
Show InChI InChI=1S/C32H22F3NO4/c33-32(34,35)28-14-13-26(27-17-24(18-36-30(27)28)31(39)22-5-2-1-3-6-22)23-7-4-8-25(16-23)40-19-21-11-9-20(10-12-21)15-29(37)38/h1-14,16-18H,15,19H2,(H,37,38)
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n/an/a 5n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at human LXRbeta


Citation and Details
More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(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/a 5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [N-methyl-3H]T1317 from human biotinylated LXRbeta LBD after 3 hrs by LEAD seeker binding assay


Citation and Details
More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50305491
PNG
(4-(3-(3-(isopropylsulfonyl)phenoxy)phenyl)-8-(trif...)
Show SMILES CC(C)S(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(N)=O)c1
Show InChI InChI=1S/C26H21F3N2O4S/c1-15(2)36(33,34)19-9-4-8-18(13-19)35-17-7-3-6-16(12-17)23-20-10-5-11-22(26(27,28)29)24(20)31-14-21(23)25(30)32/h3-15H,1-2H3,(H2,30,32)
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Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]TO901317 from human recombinant LXRbeta expressed in Escherichia coli by flashplate method


Citation and Details
More data for this
Ligand-Target Pair
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