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Compile Data Set for Download or QSAR

Found 156 hits with Last Name = 'durst' and Initial = 'gl'   
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
Estrogen receptor beta


(Homo sapiens (Human))
BDBM19968
PNG
((2R,6S,7R)-7-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0...)
Show SMILES Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H]2CCC[C@H]12 |r|
Show InChI InChI=1S/C18H18O3/c19-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(20)8-9-17(16)21-18/h4-10,14-15,18-20H,1-3H2/t14-,15+,18+/m1/s1
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PubMed
0.170 -55.2n/an/an/an/an/a7.522



Lilly Research Laboratories



Assay Description
The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin...


Bioorg Med Chem Lett 17: 5082-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.009
BindingDB Entry DOI: 10.7270/Q27S7M2Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
Estrogen receptor beta


(Homo sapiens (Human))
BDBM19968
PNG
((2R,6S,7R)-7-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0...)
Show SMILES Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H]2CCC[C@H]12 |r|
Show InChI InChI=1S/C18H18O3/c19-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(20)8-9-17(16)21-18/h4-10,14-15,18-20H,1-3H2/t14-,15+,18+/m1/s1
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0.190 -54.9n/an/an/an/an/a7.522



Lilly Research Laboratories



Assay Description
The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin...


Bioorg Med Chem Lett 17: 4824-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.052
BindingDB Entry DOI: 10.7270/Q2CJ8BRK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor beta


(Homo sapiens (Human))
BDBM19968
PNG
((2R,6S,7R)-7-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0...)
Show SMILES Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H]2CCC[C@H]12 |r|
Show InChI InChI=1S/C18H18O3/c19-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(20)8-9-17(16)21-18/h4-10,14-15,18-20H,1-3H2/t14-,15+,18+/m1/s1
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0.190 -54.9n/an/a 0.660n/an/a7.522



Lilly Research Laboratories



Assay Description
The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin...


J Med Chem 49: 6155-7 (2006)


Article DOI: 10.1021/jm060491j
BindingDB Entry DOI: 10.7270/Q2N014SV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor beta


(Homo sapiens (Human))
BDBM19986
PNG
((2R,6S,7R)-7-(4-hydroxyphenyl)-10-methyl-8-oxatric...)
Show SMILES Cc1cc(O)cc2[C@@H]3CCC[C@@H]3[C@@H](Oc12)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C19H20O3/c1-11-9-14(21)10-17-15-3-2-4-16(15)19(22-18(11)17)12-5-7-13(20)8-6-12/h5-10,15-16,19-21H,2-4H2,1H3/t15-,16+,19+/m1/s1
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0.260 -54.2n/an/an/an/an/a7.522



Lilly Research Laboratories



Assay Description
The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin...


Bioorg Med Chem Lett 17: 5082-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.009
BindingDB Entry DOI: 10.7270/Q27S7M2Q
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
Estrogen receptor beta


(Homo sapiens (Human))
BDBM19987
PNG
((2R,6S,7R)-7-(4-hydroxyphenyl)-10-(methoxymethyl)-...)
Show SMILES COCc1cc(O)cc2[C@@H]3CCC[C@@H]3[C@@H](Oc12)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C20H22O4/c1-23-11-13-9-15(22)10-18-16-3-2-4-17(16)19(24-20(13)18)12-5-7-14(21)8-6-12/h5-10,16-17,19,21-22H,2-4,11H2,1H3/t16-,17+,19+/m1/s1
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0.280 -54.0n/an/an/an/an/a7.522



Lilly Research Laboratories



Assay Description
The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin...


Bioorg Med Chem Lett 17: 5082-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.009
BindingDB Entry DOI: 10.7270/Q27S7M2Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
Estrogen receptor beta


(Homo sapiens (Human))
BDBM19985
PNG
((2R,4S,6S,7R)-7-(4-hydroxyphenyl)-4-methyl-8-oxatr...)
Show SMILES [H][C@@]1(C)C[C@H]2[C@@H](C1)c1cc(O)ccc1O[C@H]2c1ccc(O)cc1 |r|
Show InChI InChI=1S/C19H20O3/c1-11-8-15-16-10-14(21)6-7-18(16)22-19(17(15)9-11)12-2-4-13(20)5-3-12/h2-7,10-11,15,17,19-21H,8-9H2,1H3/t11-,15-,17-,19-/m0/s1
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0.310 -53.7n/an/an/an/an/a7.522



Lilly Research Laboratories



Assay Description
The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin...


Bioorg Med Chem Lett 17: 4824-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.052
BindingDB Entry DOI: 10.7270/Q2CJ8BRK
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
Estrogen receptor beta


(Homo sapiens (Human))
BDBM19983
PNG
((2R,4R,6S,7R)-7-(4-hydroxyphenyl)-4-(trifluorometh...)
Show SMILES [H][C@@]1(C[C@H]2[C@@H](C1)c1cc(O)ccc1O[C@H]2c1ccc(O)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C19H17F3O3/c20-19(21,22)11-7-14-15-9-13(24)5-6-17(15)25-18(16(14)8-11)10-1-3-12(23)4-2-10/h1-6,9,11,14,16,18,23-24H,7-8H2/t11-,14+,16+,18+/m1/s1
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0.410 -53.0n/an/an/an/an/a7.522



Lilly Research Laboratories



Assay Description
The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin...


Bioorg Med Chem Lett 17: 4824-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.052
BindingDB Entry DOI: 10.7270/Q2CJ8BRK
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM19441
PNG
(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)
Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2
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0.430n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERalpha (unknown origin)


Bioorg Med Chem 24: 759-67 (2016)


Article DOI: 10.1016/j.bmc.2015.12.045
BindingDB Entry DOI: 10.7270/Q2GX4FJB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor beta


(Homo sapiens (Human))
BDBM19982
PNG
((2R,6S,7R)-4,4-difluoro-7-(4-hydroxyphenyl)-8-oxat...)
Show SMILES Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H]2CC(F)(F)C[C@H]12 |r|
Show InChI InChI=1S/C18H16F2O3/c19-18(20)8-14-13-7-12(22)5-6-16(13)23-17(15(14)9-18)10-1-3-11(21)4-2-10/h1-7,14-15,17,21-22H,8-9H2/t14-,15-,17-/m0/s1
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0.440 -52.9n/an/an/an/an/a7.522



Lilly Research Laboratories



Assay Description
The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin...


Bioorg Med Chem Lett 17: 4824-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.052
BindingDB Entry DOI: 10.7270/Q2CJ8BRK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
Estrogen receptor beta


(Homo sapiens (Human))
BDBM19984
PNG
((2R,4S,6S,7R)-7-(4-hydroxyphenyl)-4-(trifluorometh...)
Show SMILES [H][C@]1(C[C@H]2[C@@H](C1)c1cc(O)ccc1O[C@H]2c1ccc(O)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C19H17F3O3/c20-19(21,22)11-7-14-15-9-13(24)5-6-17(15)25-18(16(14)8-11)10-1-3-12(23)4-2-10/h1-6,9,11,14,16,18,23-24H,7-8H2/t11-,14-,16-,18-/m0/s1
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0.700 -51.7n/an/an/an/an/a7.522



Lilly Research Laboratories



Assay Description
The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin...


Bioorg Med Chem Lett 17: 4824-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.052
BindingDB Entry DOI: 10.7270/Q2CJ8BRK
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM19988
PNG
((2R,6S,7R)-10-(ethoxymethyl)-7-(4-hydroxyphenyl)-8...)
Show SMILES CCOCc1cc(O)cc2[C@@H]3CCC[C@@H]3[C@@H](Oc12)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C21H24O4/c1-2-24-12-14-10-16(23)11-19-17-4-3-5-18(17)20(25-21(14)19)13-6-8-15(22)9-7-13/h6-11,17-18,20,22-23H,2-5,12H2,1H3/t17-,18+,20+/m1/s1
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0.745 -51.6n/an/an/an/an/a7.522



Lilly Research Laboratories



Assay Description
The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin...


Bioorg Med Chem Lett 17: 5082-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.009
BindingDB Entry DOI: 10.7270/Q27S7M2Q
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 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))
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 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
Estrogen receptor beta


(Homo sapiens (Human))
BDBM19969
PNG
((2S,6R,7S)-7-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0...)
Show SMILES Oc1ccc(cc1)[C@H]1Oc2ccc(O)cc2[C@H]2CCC[C@@H]12 |r|
Show InChI InChI=1S/C18H18O3/c19-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(20)8-9-17(16)21-18/h4-10,14-15,18-20H,1-3H2/t14-,15+,18+/m0/s1
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PubMed
1.54 -49.8n/an/a 3.61n/an/a7.522



Lilly Research Laboratories



Assay Description
The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin...


J Med Chem 49: 6155-7 (2006)


Article DOI: 10.1021/jm060491j
BindingDB Entry DOI: 10.7270/Q2N014SV
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/alpha


(Homo sapiens (Human))
BDBM50178953
PNG
(CHEMBL3815166)
Show SMILES CC(C)(C)c1cccc(c1)-c1cc(nn1-c1ccc(cc1)S(C)(=O)=O)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C27H26N2O4S/c1-27(2,3)21-7-5-6-20(16-21)25-17-24(18-8-10-19(11-9-18)26(30)31)28-29(25)22-12-14-23(15-13-22)34(4,32)33/h5-17H,1-4H3,(H,30,31)
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1.80n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-TTNPB from RARalpha/RXRalpha (unknown origin) expressed in baculovirus expression system by scintillation proximity assay


Bioorg Med Chem Lett 26: 3274-3277 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.056
BindingDB Entry DOI: 10.7270/Q2FF3V9N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
Estrogen receptor


(Homo sapiens (Human))
BDBM19968
PNG
((2R,6S,7R)-7-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0...)
Show SMILES Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H]2CCC[C@H]12 |r|
Show InChI InChI=1S/C18H18O3/c19-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(20)8-9-17(16)21-18/h4-10,14-15,18-20H,1-3H2/t14-,15+,18+/m1/s1
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2.29 -48.8n/an/an/an/an/a7.522



Lilly Research Laboratories



Assay Description
The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin...


Bioorg Med Chem Lett 17: 5082-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.009
BindingDB Entry DOI: 10.7270/Q27S7M2Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor beta


(Homo sapiens (Human))
BDBM20628
PNG
(2-(4-hydroxyphenyl)-1-benzothiophen-6-ol | CHEMBL4...)
Show SMILES Oc1ccc(cc1)-c1cc2ccc(O)cc2s1
Show InChI InChI=1S/C14H10O2S/c15-11-4-1-9(2-5-11)13-7-10-3-6-12(16)8-14(10)17-13/h1-8,15-16H
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2.30n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta (unknown origin)


Bioorg Med Chem 24: 759-67 (2016)


Article DOI: 10.1016/j.bmc.2015.12.045
BindingDB Entry DOI: 10.7270/Q2GX4FJB
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM19968
PNG
((2R,6S,7R)-7-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0...)
Show SMILES Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H]2CCC[C@H]12 |r|
Show InChI InChI=1S/C18H18O3/c19-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(20)8-9-17(16)21-18/h4-10,14-15,18-20H,1-3H2/t14-,15+,18+/m1/s1
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PubMed
2.68 -48.4n/an/a 19.4n/an/a7.522



Lilly Research Laboratories



Assay Description
The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin...


J Med Chem 49: 6155-7 (2006)


Article DOI: 10.1021/jm060491j
BindingDB Entry DOI: 10.7270/Q2N014SV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))
BDBM19968
PNG
((2R,6S,7R)-7-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0...)
Show SMILES Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H]2CCC[C@H]12 |r|
Show InChI InChI=1S/C18H18O3/c19-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(20)8-9-17(16)21-18/h4-10,14-15,18-20H,1-3H2/t14-,15+,18+/m1/s1
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2.70 -48.4n/an/an/an/an/a7.522



Lilly Research Laboratories



Assay Description
The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin...


Bioorg Med Chem Lett 17: 4824-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.052
BindingDB Entry DOI: 10.7270/Q2CJ8BRK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor RXR-alpha/alpha


(Homo sapiens (Human))
BDBM50178952
PNG
(CHEMBL3814574)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)-c1cc(nn1-c1ccc(cc1)S(C)(=O)=O)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C31H32N2O4S/c1-30(2)16-17-31(3,4)26-18-22(10-15-25(26)30)28-19-27(20-6-8-21(9-7-20)29(34)35)32-33(28)23-11-13-24(14-12-23)38(5,36)37/h6-15,18-19H,16-17H2,1-5H3,(H,34,35)
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2.80n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-TTNPB from RARalpha/RXRalpha (unknown origin) expressed in baculovirus expression system by scintillation proximity assay


Bioorg Med Chem Lett 26: 3274-3277 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.056
BindingDB Entry DOI: 10.7270/Q2FF3V9N
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
Estrogen receptor


(Homo sapiens (Human))
BDBM19986
PNG
((2R,6S,7R)-7-(4-hydroxyphenyl)-10-methyl-8-oxatric...)
Show SMILES Cc1cc(O)cc2[C@@H]3CCC[C@@H]3[C@@H](Oc12)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C19H20O3/c1-11-9-14(21)10-17-15-3-2-4-16(15)19(22-18(11)17)12-5-7-13(20)8-6-12/h5-10,15-16,19-21H,2-4H2,1H3/t15-,16+,19+/m1/s1
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2.82 -48.3n/an/an/an/an/a7.522



Lilly Research Laboratories



Assay Description
The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin...


Bioorg Med Chem Lett 17: 5082-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.009
BindingDB Entry DOI: 10.7270/Q27S7M2Q
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
Estrogen receptor


(Homo sapiens (Human))
BDBM19985
PNG
((2R,4S,6S,7R)-7-(4-hydroxyphenyl)-4-methyl-8-oxatr...)
Show SMILES [H][C@@]1(C)C[C@H]2[C@@H](C1)c1cc(O)ccc1O[C@H]2c1ccc(O)cc1 |r|
Show InChI InChI=1S/C19H20O3/c1-11-8-15-16-10-14(21)6-7-18(16)22-19(17(15)9-11)12-2-4-13(20)5-3-12/h2-7,10-11,15,17,19-21H,8-9H2,1H3/t11-,15-,17-,19-/m0/s1
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3.30 -47.9n/an/an/an/an/a7.522



Lilly Research Laboratories



Assay Description
The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin...


Bioorg Med Chem Lett 17: 4824-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.052
BindingDB Entry DOI: 10.7270/Q2CJ8BRK
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM20628
PNG
(2-(4-hydroxyphenyl)-1-benzothiophen-6-ol | CHEMBL4...)
Show SMILES Oc1ccc(cc1)-c1cc2ccc(O)cc2s1
Show InChI InChI=1S/C14H10O2S/c15-11-4-1-9(2-5-11)13-7-10-3-6-12(16)8-14(10)17-13/h1-8,15-16H
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4.10n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERalpha (unknown origin)


Bioorg Med Chem 24: 759-67 (2016)


Article DOI: 10.1016/j.bmc.2015.12.045
BindingDB Entry DOI: 10.7270/Q2GX4FJB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50586388
PNG
(CHEMBL5081557)
Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc3CCOC4(CCN(Cc5ccccc5Cl)CC4)c3s2)cc1
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4.20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-25-hydroxycholesterol from His-Flag-tagged human RORgammat LBD (309 to 508 residues) expressed in Escherichia coli measured afte...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01918
BindingDB Entry DOI: 10.7270/Q2B85D1S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor beta


(Homo sapiens (Human))
BDBM19441
PNG
(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)
Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2
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4.30n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta (unknown origin)


Bioorg Med Chem 24: 759-67 (2016)


Article DOI: 10.1016/j.bmc.2015.12.045
BindingDB Entry DOI: 10.7270/Q2GX4FJB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM498074
PNG
((5′S)—N-[4-(Ethylsulfonyl)benzyl]-5′-m...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3C[C@H](C)OC4(CCN(CC4)[C@H](C)c4cnc(nc4)C(F)(F)F)c3s2)cc1 |r|
Show InChI InChI=1S/C29H33F3N4O4S2/c1-4-42(38,39)23-7-5-20(6-8-23)15-33-26(37)24-14-21-13-18(2)40-28(25(21)41-24)9-11-36(12-10-28)19(3)22-16-34-27(35-17-22)29(30,31)32/h5-8,14,16-19H,4,9-13,15H2,1-3H3,(H,33,37)/t18-,19+/m0/s1
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5.90n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-25-hydroxycholesterol from His-Flag-tagged human RORgammat LBD (309 to 508 residues) expressed in Escherichia coli measured afte...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01918
BindingDB Entry DOI: 10.7270/Q2B85D1S
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM19989
PNG
((2R,6S,7R)-10-(hydroxymethyl)-7-(4-hydroxyphenyl)-...)
Show SMILES OCc1cc(O)cc2[C@@H]3CCC[C@@H]3[C@@H](Oc12)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C19H20O4/c20-10-12-8-14(22)9-17-15-2-1-3-16(15)18(23-19(12)17)11-4-6-13(21)7-5-11/h4-9,15-16,18,20-22H,1-3,10H2/t15-,16+,18+/m1/s1
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5.97 -46.5n/an/an/an/an/a7.522



Lilly Research Laboratories



Assay Description
The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin...


Bioorg Med Chem Lett 17: 5082-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.009
BindingDB Entry DOI: 10.7270/Q27S7M2Q
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/alpha


(Homo sapiens (Human))
BDBM50178954
PNG
(CHEMBL3813779)
Show SMILES Cc1cc(cc(c1)C(C)(C)C)-c1cc(nn1-c1ccc(cc1)S(C)(=O)=O)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C28H28N2O4S/c1-18-14-21(16-22(15-18)28(2,3)4)26-17-25(19-6-8-20(9-7-19)27(31)32)29-30(26)23-10-12-24(13-11-23)35(5,33)34/h6-17H,1-5H3,(H,31,32)
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6.20n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-TTNPB from RARalpha/RXRalpha (unknown origin) expressed in baculovirus expression system by scintillation proximity assay


Bioorg Med Chem Lett 26: 3274-3277 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.056
BindingDB Entry DOI: 10.7270/Q2FF3V9N
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM19979
PNG
((2R,6S,7R)-12-hydroxy-7-(4-hydroxyphenyl)-8-oxatri...)
Show SMILES Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H]2CC(=O)C[C@H]12 |r|
Show InChI InChI=1S/C18H16O4/c19-11-3-1-10(2-4-11)18-16-9-13(21)8-14(16)15-7-12(20)5-6-17(15)22-18/h1-7,14,16,18-20H,8-9H2/t14-,16-,18-/m0/s1
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6.92 -46.1n/an/an/an/an/a7.522



Lilly Research Laboratories



Assay Description
The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin...


Bioorg Med Chem Lett 17: 4824-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.052
BindingDB Entry DOI: 10.7270/Q2CJ8BRK
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM19983
PNG
((2R,4R,6S,7R)-7-(4-hydroxyphenyl)-4-(trifluorometh...)
Show SMILES [H][C@@]1(C[C@H]2[C@@H](C1)c1cc(O)ccc1O[C@H]2c1ccc(O)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C19H17F3O3/c20-19(21,22)11-7-14-15-9-13(24)5-6-17(15)25-18(16(14)8-11)10-1-3-12(23)4-2-10/h1-6,9,11,14,16,18,23-24H,7-8H2/t11-,14+,16+,18+/m1/s1
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7.20 -46.0n/an/an/an/an/a7.522



Lilly Research Laboratories



Assay Description
The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin...


Bioorg Med Chem Lett 17: 4824-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.052
BindingDB Entry DOI: 10.7270/Q2CJ8BRK
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/alpha


(Homo sapiens (Human))
BDBM50178961
PNG
(CHEMBL2385268)
Show SMILES CC1(C)CC=C(c2ccccc2)c2cc(\C=C\c3ccc(cc3)C(O)=O)ccc12 |t:4|
Show InChI InChI=1S/C27H24O2/c1-27(2)17-16-23(21-6-4-3-5-7-21)24-18-20(12-15-25(24)27)9-8-19-10-13-22(14-11-19)26(28)29/h3-16,18H,17H2,1-2H3,(H,28,29)/b9-8+
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7.70n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-TTNPB from RARalpha/RXRalpha (unknown origin) expressed in baculovirus expression system by scintillation proximity assay


Bioorg Med Chem Lett 26: 3274-3277 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.056
BindingDB Entry DOI: 10.7270/Q2FF3V9N
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
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