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Compile Data Set for Download or QSAR

Found 40 hits with Last Name = 'reidy' and Initial = 'c'   
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
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50063687
PNG
(CHEMBL3397339)
Show SMILES CC(C)c1cc(Cn2c(C)cc3cc(OCC(O)=O)cc(Cl)c23)ccc1O
Show InChI InChI=1S/C21H22ClNO4/c1-12(2)17-7-14(4-5-19(17)24)10-23-13(3)6-15-8-16(27-11-20(25)26)9-18(22)21(15)23/h4-9,12,24H,10-11H2,1-3H3,(H,25,26)
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0.0400n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRbeta expressed in human Hela cell lysate measured after overnight incubation by competi...


Bioorg Med Chem Lett 25: 1377-80 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50063689
PNG
(CHEMBL3397337)
Show SMILES CC(C)c1cc(Cn2ccc3cc(OCC(O)=O)cc(Cl)c23)ccc1O
Show InChI InChI=1S/C20H20ClNO4/c1-12(2)16-7-13(3-4-18(16)23)10-22-6-5-14-8-15(26-11-19(24)25)9-17(21)20(14)22/h3-9,12,23H,10-11H2,1-2H3,(H,24,25)
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0.0700n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRbeta expressed in human Hela cell lysate measured after overnight incubation by competi...


Bioorg Med Chem Lett 25: 1377-80 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50063755
PNG
(CHEMBL3397341)
Show SMILES CC(C)c1cc(Cn2cc(C)c3cc(OCC(O)=O)cc(Cl)c23)ccc1O
Show InChI InChI=1S/C21H22ClNO4/c1-12(2)16-6-14(4-5-19(16)24)10-23-9-13(3)17-7-15(27-11-20(25)26)8-18(22)21(17)23/h4-9,12,24H,10-11H2,1-3H3,(H,25,26)
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0.0900n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRbeta expressed in human Hela cell lysate measured after overnight incubation by competi...


Bioorg Med Chem Lett 25: 1377-80 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50063688
PNG
(CHEMBL3397338)
Show SMILES CC(C)c1cc(Cn2c(C)cc3cc(OCC(O)=O)cc(C)c23)ccc1O
Show InChI InChI=1S/C22H25NO4/c1-13(2)19-9-16(5-6-20(19)24)11-23-15(4)8-17-10-18(27-12-21(25)26)7-14(3)22(17)23/h5-10,13,24H,11-12H2,1-4H3,(H,25,26)
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0.140n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRbeta expressed in human Hela cell lysate measured after overnight incubation by competi...


Bioorg Med Chem Lett 25: 1377-80 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50063686
PNG
(CHEMBL3397340)
Show SMILES CC(C)c1cc(Cn2cc(C)c3cc(OCC(O)=O)cc(C)c23)ccc1O
Show InChI InChI=1S/C22H25NO4/c1-13(2)18-8-16(5-6-20(18)24)11-23-10-15(4)19-9-17(27-12-21(25)26)7-14(3)22(19)23/h5-10,13,24H,11-12H2,1-4H3,(H,25,26)
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0.180n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRbeta expressed in human Hela cell lysate measured after overnight incubation by competi...


Bioorg Med Chem Lett 25: 1377-80 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50063690
PNG
(CHEMBL3397336)
Show SMILES CC(C)c1cc(Cn2ccc3cc(OCC(O)=O)cc(C)c23)ccc1O
Show InChI InChI=1S/C21H23NO4/c1-13(2)18-9-15(4-5-19(18)23)11-22-7-6-16-10-17(26-12-20(24)25)8-14(3)21(16)22/h4-10,13,23H,11-12H2,1-3H3,(H,24,25)
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0.260n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRbeta expressed in human Hela cell lysate measured after overnight incubation by competi...


Bioorg Med Chem Lett 25: 1377-80 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50063754
PNG
(CHEMBL3397342)
Show SMILES Cc1cn(Cc2ccc(O)c(c2)C(C)(C)C)c2ccc(OCC(O)=O)cc12
Show InChI InChI=1S/C22H25NO4/c1-14-11-23(12-15-5-8-20(24)18(9-15)22(2,3)4)19-7-6-16(10-17(14)19)27-13-21(25)26/h5-11,24H,12-13H2,1-4H3,(H,25,26)
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0.300n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRbeta expressed in human Hela cell lysate measured after overnight incubation by competi...


Bioorg Med Chem Lett 25: 1377-80 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G
More data for this
Ligand-Target Pair
Thyroid hormone receptor alpha


(Homo sapiens (Human))
BDBM50063689
PNG
(CHEMBL3397337)
Show SMILES CC(C)c1cc(Cn2ccc3cc(OCC(O)=O)cc(Cl)c23)ccc1O
Show InChI InChI=1S/C20H20ClNO4/c1-12(2)16-7-13(3-4-18(16)23)10-22-6-5-14-8-15(26-11-19(24)25)9-17(21)20(14)22/h3-9,12,23H,10-11H2,1-2H3,(H,24,25)
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0.350n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRalpha expressed in human Hela cell lysate measured after overnight incubation by compet...


Bioorg Med Chem Lett 25: 1377-80 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G
More data for this
Ligand-Target Pair
Thyroid hormone receptor alpha


(Homo sapiens (Human))
BDBM50063687
PNG
(CHEMBL3397339)
Show SMILES CC(C)c1cc(Cn2c(C)cc3cc(OCC(O)=O)cc(Cl)c23)ccc1O
Show InChI InChI=1S/C21H22ClNO4/c1-12(2)17-7-14(4-5-19(17)24)10-23-13(3)6-15-8-16(27-11-20(25)26)9-18(22)21(15)23/h4-9,12,24H,10-11H2,1-3H3,(H,25,26)
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0.380n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRalpha expressed in human Hela cell lysate measured after overnight incubation by compet...


Bioorg Med Chem Lett 25: 1377-80 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50063691
PNG
(CHEMBL3397335)
Show SMILES CC(C)c1cc(Cn2cc(C)c3cc(OCC(O)=O)ccc23)ccc1O
Show InChI InChI=1S/C21H23NO4/c1-13(2)17-8-15(4-7-20(17)23)11-22-10-14(3)18-9-16(5-6-19(18)22)26-12-21(24)25/h4-10,13,23H,11-12H2,1-3H3,(H,24,25)
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0.380n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRbeta expressed in human Hela cell lysate measured after overnight incubation by competi...


Bioorg Med Chem Lett 25: 1377-80 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G
More data for this
Ligand-Target Pair
Thyroid hormone receptor alpha


(Homo sapiens (Human))
BDBM50063755
PNG
(CHEMBL3397341)
Show SMILES CC(C)c1cc(Cn2cc(C)c3cc(OCC(O)=O)cc(Cl)c23)ccc1O
Show InChI InChI=1S/C21H22ClNO4/c1-12(2)16-6-14(4-5-19(16)24)10-23-9-13(3)17-7-15(27-11-20(25)26)8-18(22)21(17)23/h4-9,12,24H,10-11H2,1-3H3,(H,25,26)
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0.510n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRalpha expressed in human Hela cell lysate measured after overnight incubation by compet...


Bioorg Med Chem Lett 25: 1377-80 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50063752
PNG
(CHEMBL3397343)
Show SMILES Cc1cn(Cc2ccc(O)c(Cc3ccccc3)c2)c2ccc(OCC(O)=O)cc12
Show InChI InChI=1S/C25H23NO4/c1-17-14-26(23-9-8-21(13-22(17)23)30-16-25(28)29)15-19-7-10-24(27)20(12-19)11-18-5-3-2-4-6-18/h2-10,12-14,27H,11,15-16H2,1H3,(H,28,29)
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0.540n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRbeta expressed in human Hela cell lysate measured after overnight incubation by competi...


Bioorg Med Chem Lett 25: 1377-80 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50063751
PNG
(CHEMBL3397344)
Show SMILES Cc1cn(Cc2ccc(O)c(c2)C2CCCC2)c2ccc(OCC(O)=O)cc12
Show InChI InChI=1S/C23H25NO4/c1-15-12-24(21-8-7-18(11-19(15)21)28-14-23(26)27)13-16-6-9-22(25)20(10-16)17-4-2-3-5-17/h6-12,17,25H,2-5,13-14H2,1H3,(H,26,27)
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0.640n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRbeta expressed in human Hela cell lysate measured after overnight incubation by competi...


Bioorg Med Chem Lett 25: 1377-80 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50063693
PNG
(CHEMBL3397333)
Show SMILES CC(C)c1cc(Cn2ccc3cc(OCC(O)=O)ccc23)ccc1O
Show InChI InChI=1S/C20H21NO4/c1-13(2)17-9-14(3-6-19(17)22)11-21-8-7-15-10-16(4-5-18(15)21)25-12-20(23)24/h3-10,13,22H,11-12H2,1-2H3,(H,23,24)
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1n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRbeta expressed in human Hela cell lysate measured after overnight incubation by competi...


Bioorg Med Chem Lett 25: 1377-80 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50063692
PNG
(CHEMBL3397334)
Show SMILES CC(C)c1cc(Cn2c(C)cc3cc(OCC(O)=O)ccc23)ccc1O
Show InChI InChI=1S/C21H23NO4/c1-13(2)18-9-15(4-7-20(18)23)11-22-14(3)8-16-10-17(5-6-19(16)22)26-12-21(24)25/h4-10,13,23H,11-12H2,1-3H3,(H,24,25)
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1.10n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRbeta expressed in human Hela cell lysate measured after overnight incubation by competi...


Bioorg Med Chem Lett 25: 1377-80 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G
More data for this
Ligand-Target Pair
Thyroid hormone receptor alpha


(Homo sapiens (Human))
BDBM50063690
PNG
(CHEMBL3397336)
Show SMILES CC(C)c1cc(Cn2ccc3cc(OCC(O)=O)cc(C)c23)ccc1O
Show InChI InChI=1S/C21H23NO4/c1-13(2)18-9-15(4-5-19(18)23)11-22-7-6-16-10-17(26-12-20(24)25)8-14(3)21(16)22/h4-10,13,23H,11-12H2,1-3H3,(H,24,25)
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1.10n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRalpha expressed in human Hela cell lysate measured after overnight incubation by compet...


Bioorg Med Chem Lett 25: 1377-80 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50063750
PNG
(CHEMBL3397345)
Show SMILES Cc1cn(Cc2ccc(O)c(CC3CCCCC3)c2)c2ccc(OCC(O)=O)cc12
Show InChI InChI=1S/C25H29NO4/c1-17-14-26(23-9-8-21(13-22(17)23)30-16-25(28)29)15-19-7-10-24(27)20(12-19)11-18-5-3-2-4-6-18/h7-10,12-14,18,27H,2-6,11,15-16H2,1H3,(H,28,29)
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1.10n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRbeta expressed in human Hela cell lysate measured after overnight incubation by competi...


Bioorg Med Chem Lett 25: 1377-80 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G
More data for this
Ligand-Target Pair
Thyroid hormone receptor alpha


(Homo sapiens (Human))
BDBM50063688
PNG
(CHEMBL3397338)
Show SMILES CC(C)c1cc(Cn2c(C)cc3cc(OCC(O)=O)cc(C)c23)ccc1O
Show InChI InChI=1S/C22H25NO4/c1-13(2)19-9-16(5-6-20(19)24)11-23-15(4)8-17-10-18(27-12-21(25)26)7-14(3)22(17)23/h5-10,13,24H,11-12H2,1-4H3,(H,25,26)
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2.10n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRalpha expressed in human Hela cell lysate measured after overnight incubation by compet...


Bioorg Med Chem Lett 25: 1377-80 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G
More data for this
Ligand-Target Pair
Thyroid hormone receptor alpha


(Homo sapiens (Human))
BDBM50063686
PNG
(CHEMBL3397340)
Show SMILES CC(C)c1cc(Cn2cc(C)c3cc(OCC(O)=O)cc(C)c23)ccc1O
Show InChI InChI=1S/C22H25NO4/c1-13(2)18-8-16(5-6-20(18)24)11-23-10-15(4)19-9-17(27-12-21(25)26)7-14(3)22(19)23/h5-10,13,24H,11-12H2,1-4H3,(H,25,26)
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2.80n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRalpha expressed in human Hela cell lysate measured after overnight incubation by compet...


Bioorg Med Chem Lett 25: 1377-80 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50063695
PNG
(CHEMBL3397346)
Show SMILES Cc1cn(Cc2ccc(O)c(c2)-c2ccccc2)c2ccc(OCC(O)=O)cc12
Show InChI InChI=1S/C24H21NO4/c1-16-13-25(22-9-8-19(12-20(16)22)29-15-24(27)28)14-17-7-10-23(26)21(11-17)18-5-3-2-4-6-18/h2-13,26H,14-15H2,1H3,(H,27,28)
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3.10n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRbeta expressed in human Hela cell lysate measured after overnight incubation by competi...


Bioorg Med Chem Lett 25: 1377-80 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G
More data for this
Ligand-Target Pair
Thyroid hormone receptor alpha


(Homo sapiens (Human))
BDBM50063691
PNG
(CHEMBL3397335)
Show SMILES CC(C)c1cc(Cn2cc(C)c3cc(OCC(O)=O)ccc23)ccc1O
Show InChI InChI=1S/C21H23NO4/c1-13(2)17-8-15(4-7-20(17)23)11-22-10-14(3)18-9-16(5-6-19(18)22)26-12-21(24)25/h4-10,13,23H,11-12H2,1-3H3,(H,24,25)
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7.70n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRalpha expressed in human Hela cell lysate measured after overnight incubation by compet...


Bioorg Med Chem Lett 25: 1377-80 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50063694
PNG
(CHEMBL3397347)
Show SMILES Cc1cn(Cc2ccc(O)c(c2)C2CCCCC2)c2ccc(OCC(O)=O)cc12
Show InChI InChI=1S/C24H27NO4/c1-16-13-25(22-9-8-19(12-20(16)22)29-15-24(27)28)14-17-7-10-23(26)21(11-17)18-5-3-2-4-6-18/h7-13,18,26H,2-6,14-15H2,1H3,(H,27,28)
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8n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRbeta expressed in human Hela cell lysate measured after overnight incubation by competi...


Bioorg Med Chem Lett 25: 1377-80 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G
More data for this
Ligand-Target Pair
Thyroid hormone receptor alpha


(Homo sapiens (Human))
BDBM50063754
PNG
(CHEMBL3397342)
Show SMILES Cc1cn(Cc2ccc(O)c(c2)C(C)(C)C)c2ccc(OCC(O)=O)cc12
Show InChI InChI=1S/C22H25NO4/c1-14-11-23(12-15-5-8-20(24)18(9-15)22(2,3)4)19-7-6-16(10-17(14)19)27-13-21(25)26/h5-11,24H,12-13H2,1-4H3,(H,25,26)
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10n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRalpha expressed in human Hela cell lysate measured after overnight incubation by compet...


Bioorg Med Chem Lett 25: 1377-80 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G
More data for this
Ligand-Target Pair
Thyroid hormone receptor alpha


(Homo sapiens (Human))
BDBM50063693
PNG
(CHEMBL3397333)
Show SMILES CC(C)c1cc(Cn2ccc3cc(OCC(O)=O)ccc23)ccc1O
Show InChI InChI=1S/C20H21NO4/c1-13(2)17-9-14(3-6-19(17)22)11-21-8-7-15-10-16(4-5-18(15)21)25-12-20(23)24/h3-10,13,22H,11-12H2,1-2H3,(H,23,24)
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13n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRalpha expressed in human Hela cell lysate measured after overnight incubation by compet...


Bioorg Med Chem Lett 25: 1377-80 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G
More data for this
Ligand-Target Pair
Thyroid hormone receptor alpha


(Homo sapiens (Human))
BDBM50063692
PNG
(CHEMBL3397334)
Show SMILES CC(C)c1cc(Cn2c(C)cc3cc(OCC(O)=O)ccc23)ccc1O
Show InChI InChI=1S/C21H23NO4/c1-13(2)18-9-15(4-7-20(18)23)11-22-14(3)8-16-10-17(5-6-19(16)22)26-12-21(24)25/h4-10,13,23H,11-12H2,1-3H3,(H,24,25)
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16n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRalpha expressed in human Hela cell lysate measured after overnight incubation by compet...


Bioorg Med Chem Lett 25: 1377-80 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G
More data for this
Ligand-Target Pair
Thyroid hormone receptor alpha


(Homo sapiens (Human))
BDBM50063751
PNG
(CHEMBL3397344)
Show SMILES Cc1cn(Cc2ccc(O)c(c2)C2CCCC2)c2ccc(OCC(O)=O)cc12
Show InChI InChI=1S/C23H25NO4/c1-15-12-24(21-8-7-18(11-19(15)21)28-14-23(26)27)13-16-6-9-22(25)20(10-16)17-4-2-3-5-17/h6-12,17,25H,2-5,13-14H2,1H3,(H,26,27)
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32n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRalpha expressed in human Hela cell lysate measured after overnight incubation by compet...


Bioorg Med Chem Lett 25: 1377-80 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G
More data for this
Ligand-Target Pair
Thyroid hormone receptor alpha


(Homo sapiens (Human))
BDBM50063752
PNG
(CHEMBL3397343)
Show SMILES Cc1cn(Cc2ccc(O)c(Cc3ccccc3)c2)c2ccc(OCC(O)=O)cc12
Show InChI InChI=1S/C25H23NO4/c1-17-14-26(23-9-8-21(13-22(17)23)30-16-25(28)29)15-19-7-10-24(27)20(12-19)11-18-5-3-2-4-6-18/h2-10,12-14,27H,11,15-16H2,1H3,(H,28,29)
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37n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRalpha expressed in human Hela cell lysate measured after overnight incubation by compet...


Bioorg Med Chem Lett 25: 1377-80 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G
More data for this
Ligand-Target Pair
Thyroid hormone receptor alpha


(Homo sapiens (Human))
BDBM50063750
PNG
(CHEMBL3397345)
Show SMILES Cc1cn(Cc2ccc(O)c(CC3CCCCC3)c2)c2ccc(OCC(O)=O)cc12
Show InChI InChI=1S/C25H29NO4/c1-17-14-26(23-9-8-21(13-22(17)23)30-16-25(28)29)15-19-7-10-24(27)20(12-19)11-18-5-3-2-4-6-18/h7-10,12-14,18,27H,2-6,11,15-16H2,1H3,(H,28,29)
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47n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRalpha expressed in human Hela cell lysate measured after overnight incubation by compet...


Bioorg Med Chem Lett 25: 1377-80 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G
More data for this
Ligand-Target Pair
Thyroid hormone receptor alpha


(Homo sapiens (Human))
BDBM50063695
PNG
(CHEMBL3397346)
Show SMILES Cc1cn(Cc2ccc(O)c(c2)-c2ccccc2)c2ccc(OCC(O)=O)cc12
Show InChI InChI=1S/C24H21NO4/c1-16-13-25(22-9-8-19(12-20(16)22)29-15-24(27)28)14-17-7-10-23(26)21(11-17)18-5-3-2-4-6-18/h2-13,26H,14-15H2,1H3,(H,27,28)
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90n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRalpha expressed in human Hela cell lysate measured after overnight incubation by compet...


Bioorg Med Chem Lett 25: 1377-80 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G
More data for this
Ligand-Target Pair
Thyroid hormone receptor alpha


(Homo sapiens (Human))
BDBM50063694
PNG
(CHEMBL3397347)
Show SMILES Cc1cn(Cc2ccc(O)c(c2)C2CCCCC2)c2ccc(OCC(O)=O)cc12
Show InChI InChI=1S/C24H27NO4/c1-16-13-25(22-9-8-19(12-20(16)22)29-15-24(27)28)14-17-7-10-23(26)21(11-17)18-5-3-2-4-6-18/h7-13,18,26H,2-6,14-15H2,1H3,(H,27,28)
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200n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRalpha expressed in human Hela cell lysate measured after overnight incubation by compet...


Bioorg Med Chem Lett 25: 1377-80 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM21724
PNG
(3-[(E)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(1...)
Show SMILES CC(C)c1onc(c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |(-5,9.13,;-4.28,7.76,;-2.74,7.7,;-5.11,6.46,;-6.65,6.36,;-7.03,4.87,;-5.73,4.05,;-4.54,5.03,;-3.21,4.26,;-1.87,5.03,;-.54,4.26,;.79,5.03,;2.13,4.26,;2.13,2.72,;3.46,1.95,;4.79,2.72,;6.13,1.95,;6.13,.41,;7.46,-.36,;8.79,.41,;8.79,1.95,;7.46,2.72,;10.13,2.72,;11.46,1.95,;10.13,4.26,;.79,1.95,;.79,.41,;-.54,2.72,;-5.63,2.51,;-4.28,1.78,;-2.97,2.59,;-4.23,.24,;-5.54,-.57,;-6.9,.16,;-6.94,1.7,;-8.3,2.43,)|
Show InChI InChI=1S/C28H22Cl3NO4/c1-16(2)27-21(26(32-36-27)25-22(29)7-4-8-23(25)30)15-35-20-12-11-18(24(31)14-20)10-9-17-5-3-6-19(13-17)28(33)34/h3-14,16H,15H2,1-2H3,(H,33,34)/b10-9+
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n/an/an/an/a 220n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Agonist activity at recombinant His-tagged human FXR ligand binding domain assessed as SRC-1 coactivator recruitment after 4 hrs by luminescence anal...


J Med Chem 58: 9768-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01161
BindingDB Entry DOI: 10.7270/Q2G44T9T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen receptor


(Homo sapiens (Human))
BDBM50500349
PNG
(CHEMBL3746388)
Show SMILES Cn1cc(C(O)=O)c2ccc(cc12)N1CCC(CC1)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |(2.14,2.41,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;1.42,-3.62,;3.45,-2.94,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;-3.71,1.53,;-5.05,.76,;-6.38,1.53,;-6.38,3.07,;-5.05,3.84,;-3.72,3.07,;-7.72,3.84,;-7.72,5.38,;-9.05,6.15,;-10.44,5.51,;-11.47,6.65,;-10.71,7.99,;-9.2,7.67,;-8.05,8.7,;-6.56,8.33,;-6.21,7.15,;-5.5,9.45,;-5.93,10.93,;-7.43,11.29,;-8.49,10.18,;-9.69,10.46,;-10.75,4,;-10.37,2.59,;-11.85,3.04,)|
Show InChI InChI=1S/C28H27Cl2N3O4/c1-32-14-20(28(34)35)19-8-7-17(13-24(19)32)33-11-9-18(10-12-33)36-15-21-26(31-37-27(21)16-5-6-16)25-22(29)3-2-4-23(25)30/h2-4,7-8,13-14,16,18H,5-6,9-12,15H2,1H3,(H,34,35)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Agonist activity at androgen receptor (unknown origin) expressed in HEK293 cells assessed as transcriptional activation


J Med Chem 58: 9768-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01161
BindingDB Entry DOI: 10.7270/Q2G44T9T
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM50500349
PNG
(CHEMBL3746388)
Show SMILES Cn1cc(C(O)=O)c2ccc(cc12)N1CCC(CC1)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |(2.14,2.41,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;1.42,-3.62,;3.45,-2.94,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;-3.71,1.53,;-5.05,.76,;-6.38,1.53,;-6.38,3.07,;-5.05,3.84,;-3.72,3.07,;-7.72,3.84,;-7.72,5.38,;-9.05,6.15,;-10.44,5.51,;-11.47,6.65,;-10.71,7.99,;-9.2,7.67,;-8.05,8.7,;-6.56,8.33,;-6.21,7.15,;-5.5,9.45,;-5.93,10.93,;-7.43,11.29,;-8.49,10.18,;-9.69,10.46,;-10.75,4,;-10.37,2.59,;-11.85,3.04,)|
Show InChI InChI=1S/C28H27Cl2N3O4/c1-32-14-20(28(34)35)19-8-7-17(13-24(19)32)33-11-9-18(10-12-33)36-15-21-26(31-37-27(21)16-5-6-16)25-22(29)3-2-4-23(25)30/h2-4,7-8,13-14,16,18H,5-6,9-12,15H2,1H3,(H,34,35)
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n/an/an/an/a 193n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Agonist activity at human FXR transfected in HEK293 cells assessed as transcriptional activity by luciferase reporter gene assay


J Med Chem 58: 9768-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01161
BindingDB Entry DOI: 10.7270/Q2G44T9T
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50500349
PNG
(CHEMBL3746388)
Show SMILES Cn1cc(C(O)=O)c2ccc(cc12)N1CCC(CC1)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |(2.14,2.41,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;1.42,-3.62,;3.45,-2.94,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;-3.71,1.53,;-5.05,.76,;-6.38,1.53,;-6.38,3.07,;-5.05,3.84,;-3.72,3.07,;-7.72,3.84,;-7.72,5.38,;-9.05,6.15,;-10.44,5.51,;-11.47,6.65,;-10.71,7.99,;-9.2,7.67,;-8.05,8.7,;-6.56,8.33,;-6.21,7.15,;-5.5,9.45,;-5.93,10.93,;-7.43,11.29,;-8.49,10.18,;-9.69,10.46,;-10.75,4,;-10.37,2.59,;-11.85,3.04,)|
Show InChI InChI=1S/C28H27Cl2N3O4/c1-32-14-20(28(34)35)19-8-7-17(13-24(19)32)33-11-9-18(10-12-33)36-15-21-26(31-37-27(21)16-5-6-16)25-22(29)3-2-4-23(25)30/h2-4,7-8,13-14,16,18H,5-6,9-12,15H2,1H3,(H,34,35)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Agonist activity at mineralocorticoid receptor (unknown origin) expressed in HEK293 cells assessed as transcriptional activation


J Med Chem 58: 9768-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01161
BindingDB Entry DOI: 10.7270/Q2G44T9T
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50500349
PNG
(CHEMBL3746388)
Show SMILES Cn1cc(C(O)=O)c2ccc(cc12)N1CCC(CC1)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |(2.14,2.41,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;1.42,-3.62,;3.45,-2.94,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;-3.71,1.53,;-5.05,.76,;-6.38,1.53,;-6.38,3.07,;-5.05,3.84,;-3.72,3.07,;-7.72,3.84,;-7.72,5.38,;-9.05,6.15,;-10.44,5.51,;-11.47,6.65,;-10.71,7.99,;-9.2,7.67,;-8.05,8.7,;-6.56,8.33,;-6.21,7.15,;-5.5,9.45,;-5.93,10.93,;-7.43,11.29,;-8.49,10.18,;-9.69,10.46,;-10.75,4,;-10.37,2.59,;-11.85,3.04,)|
Show InChI InChI=1S/C28H27Cl2N3O4/c1-32-14-20(28(34)35)19-8-7-17(13-24(19)32)33-11-9-18(10-12-33)36-15-21-26(31-37-27(21)16-5-6-16)25-22(29)3-2-4-23(25)30/h2-4,7-8,13-14,16,18H,5-6,9-12,15H2,1H3,(H,34,35)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor (unknown origin) expressed in HEK293 cells assessed as transcriptional activation


J Med Chem 58: 9768-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01161
BindingDB Entry DOI: 10.7270/Q2G44T9T
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM50500349
PNG
(CHEMBL3746388)
Show SMILES Cn1cc(C(O)=O)c2ccc(cc12)N1CCC(CC1)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |(2.14,2.41,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;1.42,-3.62,;3.45,-2.94,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;-3.71,1.53,;-5.05,.76,;-6.38,1.53,;-6.38,3.07,;-5.05,3.84,;-3.72,3.07,;-7.72,3.84,;-7.72,5.38,;-9.05,6.15,;-10.44,5.51,;-11.47,6.65,;-10.71,7.99,;-9.2,7.67,;-8.05,8.7,;-6.56,8.33,;-6.21,7.15,;-5.5,9.45,;-5.93,10.93,;-7.43,11.29,;-8.49,10.18,;-9.69,10.46,;-10.75,4,;-10.37,2.59,;-11.85,3.04,)|
Show InChI InChI=1S/C28H27Cl2N3O4/c1-32-14-20(28(34)35)19-8-7-17(13-24(19)32)33-11-9-18(10-12-33)36-15-21-26(31-37-27(21)16-5-6-16)25-22(29)3-2-4-23(25)30/h2-4,7-8,13-14,16,18H,5-6,9-12,15H2,1H3,(H,34,35)
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n/an/an/an/a 121n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Agonist activity at recombinant His-tagged human FXR ligand binding domain assessed as SRC-1 coactivator recruitment after 4 hrs by luminescence anal...


J Med Chem 58: 9768-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01161
BindingDB Entry DOI: 10.7270/Q2G44T9T
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50500349
PNG
(CHEMBL3746388)
Show SMILES Cn1cc(C(O)=O)c2ccc(cc12)N1CCC(CC1)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |(2.14,2.41,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;1.42,-3.62,;3.45,-2.94,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;-3.71,1.53,;-5.05,.76,;-6.38,1.53,;-6.38,3.07,;-5.05,3.84,;-3.72,3.07,;-7.72,3.84,;-7.72,5.38,;-9.05,6.15,;-10.44,5.51,;-11.47,6.65,;-10.71,7.99,;-9.2,7.67,;-8.05,8.7,;-6.56,8.33,;-6.21,7.15,;-5.5,9.45,;-5.93,10.93,;-7.43,11.29,;-8.49,10.18,;-9.69,10.46,;-10.75,4,;-10.37,2.59,;-11.85,3.04,)|
Show InChI InChI=1S/C28H27Cl2N3O4/c1-32-14-20(28(34)35)19-8-7-17(13-24(19)32)33-11-9-18(10-12-33)36-15-21-26(31-37-27(21)16-5-6-16)25-22(29)3-2-4-23(25)30/h2-4,7-8,13-14,16,18H,5-6,9-12,15H2,1H3,(H,34,35)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Agonist activity at progesterone receptor (unknown origin) expressed in HEK293 cells assessed as transcriptional activation


J Med Chem 58: 9768-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01161
BindingDB Entry DOI: 10.7270/Q2G44T9T
More data for this
Ligand-Target Pair
Thyroid hormone receptor alpha


(Homo sapiens (Human))
BDBM50063752
PNG
(CHEMBL3397343)
Show SMILES Cc1cn(Cc2ccc(O)c(Cc3ccccc3)c2)c2ccc(OCC(O)=O)cc12
Show InChI InChI=1S/C25H23NO4/c1-17-14-26(23-9-8-21(13-22(17)23)30-16-25(28)29)15-19-7-10-24(27)20(12-19)11-18-5-3-2-4-6-18/h2-10,12-14,27H,11,15-16H2,1H3,(H,28,29)
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n/an/an/an/a 2.47E+3n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at TRalpha (unknown origin) expressed in human HuH7 cells after 24 hrs by Gal4 CTF cell-based assay


Bioorg Med Chem Lett 25: 1377-80 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM21724
PNG
(3-[(E)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(1...)
Show SMILES CC(C)c1onc(c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |(-5,9.13,;-4.28,7.76,;-2.74,7.7,;-5.11,6.46,;-6.65,6.36,;-7.03,4.87,;-5.73,4.05,;-4.54,5.03,;-3.21,4.26,;-1.87,5.03,;-.54,4.26,;.79,5.03,;2.13,4.26,;2.13,2.72,;3.46,1.95,;4.79,2.72,;6.13,1.95,;6.13,.41,;7.46,-.36,;8.79,.41,;8.79,1.95,;7.46,2.72,;10.13,2.72,;11.46,1.95,;10.13,4.26,;.79,1.95,;.79,.41,;-.54,2.72,;-5.63,2.51,;-4.28,1.78,;-2.97,2.59,;-4.23,.24,;-5.54,-.57,;-6.9,.16,;-6.94,1.7,;-8.3,2.43,)|
Show InChI InChI=1S/C28H22Cl3NO4/c1-16(2)27-21(26(32-36-27)25-22(29)7-4-8-23(25)30)15-35-20-12-11-18(24(31)14-20)10-9-17-5-3-6-19(13-17)28(33)34/h3-14,16H,15H2,1-2H3,(H,33,34)/b10-9+
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n/an/an/an/a 373n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Agonist activity at human FXR transfected in HEK293 cells assessed as transcriptional activity by luciferase reporter gene assay


J Med Chem 58: 9768-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01161
BindingDB Entry DOI: 10.7270/Q2G44T9T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50063752
PNG
(CHEMBL3397343)
Show SMILES Cc1cn(Cc2ccc(O)c(Cc3ccccc3)c2)c2ccc(OCC(O)=O)cc12
Show InChI InChI=1S/C25H23NO4/c1-17-14-26(23-9-8-21(13-22(17)23)30-16-25(28)29)15-19-7-10-24(27)20(12-19)11-18-5-3-2-4-6-18/h2-10,12-14,27H,11,15-16H2,1H3,(H,28,29)
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n/an/an/an/a 406n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at TRbeta (unknown origin) expressed in human HuH7 cells after 24 hrs by Gal4 CTF cell-based assay


Bioorg Med Chem Lett 25: 1377-80 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G
More data for this
Ligand-Target Pair