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Compile Data Set for Download or QSAR

Found 304 hits with Last Name = 'richardson' and Initial = 'ti'   
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
Estrogen receptor


(Homo sapiens (Human))
BDBM50212159
PNG
(2-(4-isopropylphenyl)-3-(4-(2-(piperidin-1-yl)etho...)
Show SMILES CC(C)c1ccc(cc1)-c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C30H33NO3S/c1-21(2)22-6-8-23(9-7-22)30-29(27-15-10-24(32)20-28(27)35-30)34-26-13-11-25(12-14-26)33-19-18-31-16-4-3-5-17-31/h6-15,20-21,32H,3-5,16-19H2,1-2H3
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0.0910n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from human recombinant ERalpha


Bioorg Med Chem Lett 17: 3544-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.044
BindingDB Entry DOI: 10.7270/Q2ZS2W6F
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50212148
PNG
(6-(3-fluorophenyl)-5-(4-(2-(piperidin-1-yl)ethoxy)...)
Show SMILES Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(ccc2c1)-c1cccc(F)c1
Show InChI InChI=1S/C29H28FNO3/c30-23-6-4-5-21(19-23)27-13-7-22-20-24(32)8-14-28(22)29(27)34-26-11-9-25(10-12-26)33-18-17-31-15-2-1-3-16-31/h4-14,19-20,32H,1-3,15-18H2
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0.160n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from human recombinant ERbeta


Bioorg Med Chem Lett 17: 3544-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.044
BindingDB Entry DOI: 10.7270/Q2ZS2W6F
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(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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0.170 -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)
Estrogen receptor


(Homo sapiens (Human))
BDBM50212148
PNG
(6-(3-fluorophenyl)-5-(4-(2-(piperidin-1-yl)ethoxy)...)
Show SMILES Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(ccc2c1)-c1cccc(F)c1
Show InChI InChI=1S/C29H28FNO3/c30-23-6-4-5-21(19-23)27-13-7-22-20-24(32)8-14-28(22)29(27)34-26-11-9-25(10-12-26)33-18-17-31-15-2-1-3-16-31/h4-14,19-20,32H,1-3,15-18H2
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0.180n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from human recombinant ERalpha


Bioorg Med Chem Lett 17: 3544-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.044
BindingDB Entry DOI: 10.7270/Q2ZS2W6F
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(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)
Estradiol receptor beta (ERβ)


(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)
Estradiol receptor beta (ERβ)


(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: 5563-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.009
BindingDB Entry DOI: 10.7270/Q2416VB9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))
BDBM50212157
PNG
(6-(3,4-difluorophenyl)-5-(4-(2-(piperidin-1-yl)eth...)
Show SMILES Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(ccc2c1)-c1ccc(F)c(F)c1
Show InChI InChI=1S/C29H27F2NO3/c30-27-13-5-21(19-28(27)31)25-11-4-20-18-22(33)6-12-26(20)29(25)35-24-9-7-23(8-10-24)34-17-16-32-14-2-1-3-15-32/h4-13,18-19,33H,1-3,14-17H2
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0.200n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from human recombinant ERalpha


Bioorg Med Chem Lett 17: 3544-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.044
BindingDB Entry DOI: 10.7270/Q2ZS2W6F
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50212149
PNG
(6-(3-hydroxyphenyl)-5-(4-(2-(piperidin-1-yl)ethoxy...)
Show SMILES Oc1cccc(c1)-c1ccc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C29H29NO4/c31-23-6-4-5-21(19-23)27-13-7-22-20-24(32)8-14-28(22)29(27)34-26-11-9-25(10-12-26)33-18-17-30-15-2-1-3-16-30/h4-14,19-20,31-32H,1-3,15-18H2
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0.210n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from human recombinant ERalpha


Bioorg Med Chem Lett 17: 3544-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.044
BindingDB Entry DOI: 10.7270/Q2ZS2W6F
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50336931
PNG
(CHEMBL1672547 | N-(3-(4-cyano-3-fluorophenyl)-1-is...)
Show SMILES CC(C)n1cc(-c2ccc(C#N)c(F)c2)c2ccc(NS(C)(=O)=O)cc12
Show InChI InChI=1S/C19H18FN3O2S/c1-12(2)23-11-17(13-4-5-14(10-21)18(20)8-13)16-7-6-15(9-19(16)23)22-26(3,24)25/h4-9,11-12,22H,1-3H3
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0.214n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]methyltrienolone from human progesterone receptor expressed in HEK293 cells


ACS Med Chem Lett 2: 148-153 (2011)


Article DOI: 10.1021/ml100220b
BindingDB Entry DOI: 10.7270/Q2Z038G1
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50212160
PNG
(3-(6-hydroxy-1-(4-(2-(piperidin-1-yl)ethoxy)phenox...)
Show SMILES Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(ccc2c1)-c1cccc(c1)C#N
Show InChI InChI=1S/C30H28N2O3/c31-21-22-5-4-6-23(19-22)28-13-7-24-20-25(33)8-14-29(24)30(28)35-27-11-9-26(10-12-27)34-18-17-32-15-2-1-3-16-32/h4-14,19-20,33H,1-3,15-18H2
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0.240n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from human recombinant ERalpha


Bioorg Med Chem Lett 17: 3544-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.044
BindingDB Entry DOI: 10.7270/Q2ZS2W6F
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM19967
PNG
(6-(4-fluorophenyl)-5-{4-[2-(piperidin-1-yl)ethoxy]...)
Show SMILES Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(ccc2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C29H28FNO3/c30-23-7-4-21(5-8-23)27-14-6-22-20-24(32)9-15-28(22)29(27)34-26-12-10-25(11-13-26)33-19-18-31-16-2-1-3-17-31/h4-15,20,32H,1-3,16-19H2
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0.240n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from human recombinant ERalpha


Bioorg Med Chem Lett 17: 3544-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.044
BindingDB Entry DOI: 10.7270/Q2ZS2W6F
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(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
Estradiol receptor beta (ERβ)


(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)
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM19967
PNG
(6-(4-fluorophenyl)-5-{4-[2-(piperidin-1-yl)ethoxy]...)
Show SMILES Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(ccc2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C29H28FNO3/c30-23-7-4-21(5-8-23)27-14-6-22-20-24(32)9-15-28(22)29(27)34-26-12-10-25(11-13-26)33-19-18-31-16-2-1-3-17-31/h4-15,20,32H,1-3,16-19H2
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0.280n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from human recombinant ERbeta


Bioorg Med Chem Lett 17: 3544-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.044
BindingDB Entry DOI: 10.7270/Q2ZS2W6F
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(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: 5563-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.009
BindingDB Entry DOI: 10.7270/Q2416VB9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50212157
PNG
(6-(3,4-difluorophenyl)-5-(4-(2-(piperidin-1-yl)eth...)
Show SMILES Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(ccc2c1)-c1ccc(F)c(F)c1
Show InChI InChI=1S/C29H27F2NO3/c30-27-13-5-21(19-28(27)31)25-11-4-20-18-22(33)6-12-26(20)29(25)35-24-9-7-23(8-10-24)34-17-16-32-14-2-1-3-15-32/h4-13,18-19,33H,1-3,14-17H2
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0.290n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from human recombinant ERbeta


Bioorg Med Chem Lett 17: 3544-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.044
BindingDB Entry DOI: 10.7270/Q2ZS2W6F
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50336933
PNG
(CHEMBL1672541 | N-(3-(4-cyano-3-methylphenyl)-1-is...)
Show SMILES CC(C)n1cc(-c2ccc(C#N)c(C)c2)c2ccc(NS(C)(=O)=O)cc12
Show InChI InChI=1S/C20H21N3O2S/c1-13(2)23-12-19(15-5-6-16(11-21)14(3)9-15)18-8-7-17(10-20(18)23)22-26(4,24)25/h5-10,12-13,22H,1-4H3
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0.298n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]methyltrienolone from human progesterone receptor expressed in HEK293 cells


ACS Med Chem Lett 2: 148-153 (2011)


Article DOI: 10.1021/ml100220b
BindingDB Entry DOI: 10.7270/Q2Z038G1
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(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
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50228078
PNG
((S)-N-(3-(1-cyclopropyl-1-(2,4-difluorophenyl)ethy...)
Show SMILES C[C@](C1CC1)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)c1ccc(F)cc1F
Show InChI InChI=1S/C20H20F2N2O2S/c1-20(12-6-7-12,15-9-8-13(21)10-17(15)22)16-11-23-19-14(16)4-3-5-18(19)24-27(2,25)26/h3-5,8-12,23-24H,6-7H2,1-2H3/t20-/m1/s1
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0.319n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]methyltrienolone from human mineralocorticoid receptor expressed in HEK293 cells


ACS Med Chem Lett 2: 148-153 (2011)


Article DOI: 10.1021/ml100220b
BindingDB Entry DOI: 10.7270/Q2Z038G1
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50212147
PNG
(6-(4-hydroxyphenyl)-5-(4-(2-(piperidin-1-yl)ethoxy...)
Show SMILES Oc1ccc(cc1)-c1ccc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C29H29NO4/c31-23-7-4-21(5-8-23)27-14-6-22-20-24(32)9-15-28(22)29(27)34-26-12-10-25(11-13-26)33-19-18-30-16-2-1-3-17-30/h4-15,20,31-32H,1-3,16-19H2
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0.320n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from human recombinant ERalpha


Bioorg Med Chem Lett 17: 3544-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.044
BindingDB Entry DOI: 10.7270/Q2ZS2W6F
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50336930
PNG
((S)-N-(1-sec-butyl-3-(4-cyanophenyl)-1H-indol-6-yl...)
Show SMILES CC[C@H](C)n1cc(-c2ccc(cc2)C#N)c2ccc(NS(C)(=O)=O)cc12 |r|
Show InChI InChI=1S/C20H21N3O2S/c1-4-14(2)23-13-19(16-7-5-15(12-21)6-8-16)18-10-9-17(11-20(18)23)22-26(3,24)25/h5-11,13-14,22H,4H2,1-3H3/t14-/m0/s1
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0.320n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]methyltrienolone from human progesterone receptor expressed in HEK293 cells


ACS Med Chem Lett 2: 148-153 (2011)


Article DOI: 10.1021/ml100220b
BindingDB Entry DOI: 10.7270/Q2Z038G1
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50212160
PNG
(3-(6-hydroxy-1-(4-(2-(piperidin-1-yl)ethoxy)phenox...)
Show SMILES Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(ccc2c1)-c1cccc(c1)C#N
Show InChI InChI=1S/C30H28N2O3/c31-21-22-5-4-6-23(19-22)28-13-7-24-20-25(33)8-14-29(24)30(28)35-27-11-9-26(10-12-27)34-18-17-32-15-2-1-3-16-32/h4-14,19-20,33H,1-3,15-18H2
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0.350n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from human recombinant ERbeta


Bioorg Med Chem Lett 17: 3544-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.044
BindingDB Entry DOI: 10.7270/Q2ZS2W6F
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM19977
PNG
((2R,6S,7R)-7-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0...)
Show SMILES Oc1ccc(cc1)[C@@H]1Oc2cccc(O)c2[C@@H]2CCC[C@H]12 |r|
Show InChI InChI=1S/C18H18O3/c19-12-9-7-11(8-10-12)18-14-4-1-3-13(14)17-15(20)5-2-6-16(17)21-18/h2,5-10,13-14,18-20H,1,3-4H2/t13-,14+,18+/m1/s1
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0.350 -53.4n/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: 3570-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.051
BindingDB Entry DOI: 10.7270/Q2H70D30
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50212149
PNG
(6-(3-hydroxyphenyl)-5-(4-(2-(piperidin-1-yl)ethoxy...)
Show SMILES Oc1cccc(c1)-c1ccc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C29H29NO4/c31-23-6-4-5-21(19-23)27-13-7-22-20-24(32)8-14-28(22)29(27)34-26-11-9-25(10-12-26)33-18-17-30-15-2-1-3-16-30/h4-14,19-20,31-32H,1-3,15-18H2
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0.360n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from human recombinant ERbeta


Bioorg Med Chem Lett 17: 3544-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.044
BindingDB Entry DOI: 10.7270/Q2ZS2W6F
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50212153
PNG
(4-(6-hydroxy-1-(4-(2-(piperidin-1-yl)ethoxy)phenox...)
Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)-c1ccc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C31H34N2O5S/c1-32(2)39(35,36)28-14-6-23(7-15-28)29-16-8-24-22-25(34)9-17-30(24)31(29)38-27-12-10-26(11-13-27)37-21-20-33-18-4-3-5-19-33/h6-17,22,34H,3-5,18-21H2,1-2H3
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0.400n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from human recombinant ERalpha


Bioorg Med Chem Lett 17: 3544-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.044
BindingDB Entry DOI: 10.7270/Q2ZS2W6F
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(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
Estradiol receptor beta (ERβ)


(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: 5563-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.009
BindingDB Entry DOI: 10.7270/Q2416VB9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estradiol receptor beta (ERβ)


(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)
Estrogen receptor


(Homo sapiens (Human))
BDBM19966
PNG
(6-(4-methanesulfonylphenyl)-5-{4-[2-(piperidin-1-y...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C30H31NO5S/c1-37(33,34)27-13-5-22(6-14-27)28-15-7-23-21-24(32)8-16-29(23)30(28)36-26-11-9-25(10-12-26)35-20-19-31-17-3-2-4-18-31/h5-16,21,32H,2-4,17-20H2,1H3
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0.470n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from human recombinant ERalpha


Bioorg Med Chem Lett 17: 3544-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.044
BindingDB Entry DOI: 10.7270/Q2ZS2W6F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estradiol receptor beta (ERβ)


(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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0.470 -52.7n/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: 3570-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.051
BindingDB Entry DOI: 10.7270/Q2H70D30
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))
BDBM50212155
PNG
(2-(4-(ethylsulfonyl)phenyl)-3-(4-(2-(piperidin-1-y...)
Show SMILES CCS(=O)(=O)c1ccc(cc1)-c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C29H31NO5S2/c1-2-37(32,33)25-13-6-21(7-14-25)29-28(26-15-8-22(31)20-27(26)36-29)35-24-11-9-23(10-12-24)34-19-18-30-16-4-3-5-17-30/h6-15,20,31H,2-5,16-19H2,1H3
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0.480n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from human recombinant ERalpha


Bioorg Med Chem Lett 17: 3544-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.044
BindingDB Entry DOI: 10.7270/Q2ZS2W6F
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50212147
PNG
(6-(4-hydroxyphenyl)-5-(4-(2-(piperidin-1-yl)ethoxy...)
Show SMILES Oc1ccc(cc1)-c1ccc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C29H29NO4/c31-23-7-4-21(5-8-23)27-14-6-22-20-24(32)9-15-28(22)29(27)34-26-12-10-25(11-13-26)33-19-18-30-16-2-1-3-17-30/h4-15,20,31-32H,1-3,16-19H2
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0.480n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from human recombinant ERbeta


Bioorg Med Chem Lett 17: 3544-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.044
BindingDB Entry DOI: 10.7270/Q2ZS2W6F
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM19990
PNG
((2R,6S,7R)-4,4-difluoro-7-(4-hydroxyphenyl)-10-(me...)
Show SMILES COCc1cc(O)cc2[C@@H]3CC(F)(F)C[C@@H]3[C@@H](Oc12)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C20H20F2O4/c1-25-10-12-6-14(24)7-15-16-8-20(21,22)9-17(16)18(26-19(12)15)11-2-4-13(23)5-3-11/h2-7,16-18,23-24H,8-10H2,1H3/t16-,17-,18-/m0/s1
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0.530 -52.4n/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: 5563-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.009
BindingDB Entry DOI: 10.7270/Q2416VB9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))
BDBM50212158
PNG
(4-(6-hydroxy-1-(4-(2-(piperidin-1-yl)ethoxy)phenox...)
Show SMILES CN(C)C(=O)c1ccc(cc1)-c1ccc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C32H34N2O4/c1-33(2)32(36)24-8-6-23(7-9-24)29-16-10-25-22-26(35)11-17-30(25)31(29)38-28-14-12-27(13-15-28)37-21-20-34-18-4-3-5-19-34/h6-17,22,35H,3-5,18-21H2,1-2H3
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0.570n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from human recombinant ERalpha


Bioorg Med Chem Lett 17: 3544-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.044
BindingDB Entry DOI: 10.7270/Q2ZS2W6F
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50212159
PNG
(2-(4-isopropylphenyl)-3-(4-(2-(piperidin-1-yl)etho...)
Show SMILES CC(C)c1ccc(cc1)-c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C30H33NO3S/c1-21(2)22-6-8-23(9-7-22)30-29(27-15-10-24(32)20-28(27)35-30)34-26-13-11-25(12-14-26)33-19-18-31-16-4-3-5-17-31/h6-15,20-21,32H,3-5,16-19H2,1-2H3
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0.630n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from human recombinant ERbeta


Bioorg Med Chem Lett 17: 3544-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.044
BindingDB Entry DOI: 10.7270/Q2ZS2W6F
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM19447
PNG
(2-(4-methanesulfonylphenyl)-3-{4-[2-(piperidin-1-y...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C28H29NO5S2/c1-36(31,32)24-12-5-20(6-13-24)28-27(25-14-7-21(30)19-26(25)35-28)34-23-10-8-22(9-11-23)33-18-17-29-15-3-2-4-16-29/h5-14,19,30H,2-4,15-18H2,1H3
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0.630n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from human recombinant ERalpha


Bioorg Med Chem Lett 17: 3544-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.044
BindingDB Entry DOI: 10.7270/Q2ZS2W6F
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM19972
PNG
((1R,9R,10S)-9-(4-hydroxyphenyl)-8-oxatricyclo[8.4....)
Show SMILES Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H]2CCCC[C@H]12 |r|
Show InChI InChI=1S/C19H20O3/c20-13-7-5-12(6-8-13)19-16-4-2-1-3-15(16)17-11-14(21)9-10-18(17)22-19/h5-11,15-16,19-21H,1-4H2/t15-,16+,19+/m1/s1
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0.630 -52.0n/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: 3570-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.051
BindingDB Entry DOI: 10.7270/Q2H70D30
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50228079
PNG
((R)-N-(3-(1-cyclopropyl-1-(4-fluorophenyl)ethyl)-1...)
Show SMILES C[C@](C1CC1)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)c1ccc(F)cc1
Show InChI InChI=1S/C20H21FN2O2S/c1-20(13-6-7-13,14-8-10-15(21)11-9-14)17-12-22-19-16(17)4-3-5-18(19)23-26(2,24)25/h3-5,8-13,22-23H,6-7H2,1-2H3/t20-/m1/s1
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0.640n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]methyltrienolone from human mineralocorticoid receptor expressed in HEK293 cells


ACS Med Chem Lett 2: 148-153 (2011)


Article DOI: 10.1021/ml100220b
BindingDB Entry DOI: 10.7270/Q2Z038G1
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM19977
PNG
((2R,6S,7R)-7-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0...)
Show SMILES Oc1ccc(cc1)[C@@H]1Oc2cccc(O)c2[C@@H]2CCC[C@H]12 |r|
Show InChI InChI=1S/C18H18O3/c19-12-9-7-11(8-10-12)18-14-4-1-3-13(14)17-15(20)5-2-6-16(17)21-18/h2,5-10,13-14,18-20H,1,3-4H2/t13-,14+,18+/m1/s1
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0.660 -51.9n/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: 3570-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.051
BindingDB Entry DOI: 10.7270/Q2H70D30
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(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


(Homo sapiens (Human))
BDBM50212150
PNG
(6-(4-(isopropylsulfonyl)phenyl)-5-(4-(2-(piperidin...)
Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1ccc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C32H35NO5S/c1-23(2)39(35,36)29-14-6-24(7-15-29)30-16-8-25-22-26(34)9-17-31(25)32(30)38-28-12-10-27(11-13-28)37-21-20-33-18-4-3-5-19-33/h6-17,22-23,34H,3-5,18-21H2,1-2H3
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0.730n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from human recombinant ERalpha


Bioorg Med Chem Lett 17: 3544-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.044
BindingDB Entry DOI: 10.7270/Q2ZS2W6F
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(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
Progesterone receptor


(Homo sapiens (Human))
BDBM50336934
PNG
(CHEMBL1672545 | N-(3-(4-cyanophenyl)-1-isopropyl-1...)
Show SMILES CC(C)n1cc(-c2ccc(cc2)C#N)c2ccc(NS(C)(=O)=O)cc12
Show InChI InChI=1S/C19H19N3O2S/c1-13(2)22-12-18(15-6-4-14(11-20)5-7-15)17-9-8-16(10-19(17)22)21-25(3,23)24/h4-10,12-13,21H,1-3H3
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0.795n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]methyltrienolone from human progesterone receptor expressed in HEK293 cells


ACS Med Chem Lett 2: 148-153 (2011)


Article DOI: 10.1021/ml100220b
BindingDB Entry DOI: 10.7270/Q2Z038G1
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50336929
PNG
((R)-N-(1-sec-butyl-3-(4-cyanophenyl)-1H-indol-6-yl...)
Show SMILES CC[C@@H](C)n1cc(-c2ccc(cc2)C#N)c2ccc(NS(C)(=O)=O)cc12 |r|
Show InChI InChI=1S/C20H21N3O2S/c1-4-14(2)23-13-19(16-7-5-15(12-21)6-8-16)18-10-9-17(11-20(18)23)22-26(3,24)25/h5-11,13-14,22H,4H2,1-3H3/t14-/m1/s1
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0.834n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]methyltrienolone from human progesterone receptor expressed in HEK293 cells


ACS Med Chem Lett 2: 148-153 (2011)


Article DOI: 10.1021/ml100220b
BindingDB Entry DOI: 10.7270/Q2Z038G1
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM19973
PNG
((1R,9R,10S)-9-(4-hydroxyphenyl)-8-oxatricyclo[8.5....)
Show SMILES Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H]2CCCCC[C@H]12 |r|
Show InChI InChI=1S/C20H22O3/c21-14-8-6-13(7-9-14)20-17-5-3-1-2-4-16(17)18-12-15(22)10-11-19(18)23-20/h6-12,16-17,20-22H,1-5H2/t16-,17+,20+/m1/s1
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0.880 -51.2n/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: 3570-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.051
BindingDB Entry DOI: 10.7270/Q2H70D30
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50212152
PNG
(6-(1,1-dioxo-1,2,3,6-tetrahydro-1lambda*6*-thiopyr...)
Show SMILES Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(ccc2c1)C1=CCS(=O)(=O)CC1 |t:31|
Show InChI InChI=1S/C28H31NO5S/c30-23-5-11-27-22(20-23)4-10-26(21-12-18-35(31,32)19-13-21)28(27)34-25-8-6-24(7-9-25)33-17-16-29-14-2-1-3-15-29/h4-12,20,30H,1-3,13-19H2
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1.03n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from human recombinant ERalpha


Bioorg Med Chem Lett 17: 3544-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.044
BindingDB Entry DOI: 10.7270/Q2ZS2W6F
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50212151
PNG
(6-(4-(methylsulfonyl)cyclohex-1-enyl)-5-(4-(2-(pip...)
Show SMILES CS(=O)(=O)C1CCC(=CC1)c1ccc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1 |w:4.3,c:7|
Show InChI InChI=1S/C30H35NO5S/c1-37(33,34)27-13-5-22(6-14-27)28-15-7-23-21-24(32)8-16-29(23)30(28)36-26-11-9-25(10-12-26)35-20-19-31-17-3-2-4-18-31/h5,7-12,15-16,21,27,32H,2-4,6,13-14,17-20H2,1H3
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1.09n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from human recombinant ERalpha


Bioorg Med Chem Lett 17: 3544-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.044
BindingDB Entry DOI: 10.7270/Q2ZS2W6F
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50212158
PNG
(4-(6-hydroxy-1-(4-(2-(piperidin-1-yl)ethoxy)phenox...)
Show SMILES CN(C)C(=O)c1ccc(cc1)-c1ccc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C32H34N2O4/c1-33(2)32(36)24-8-6-23(7-9-24)29-16-10-25-22-26(35)11-17-30(25)31(29)38-28-14-12-27(13-15-28)37-21-20-34-18-4-3-5-19-34/h6-17,22,35H,3-5,18-21H2,1-2H3
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1.16n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from human recombinant ERbeta


Bioorg Med Chem Lett 17: 3544-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.044
BindingDB Entry DOI: 10.7270/Q2ZS2W6F
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50212156
PNG
(6-(4-(ethylsulfonyl)phenyl)-5-(4-(2-(piperidin-1-y...)
Show SMILES CCS(=O)(=O)c1ccc(cc1)-c1ccc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C31H33NO5S/c1-2-38(34,35)28-14-6-23(7-15-28)29-16-8-24-22-25(33)9-17-30(24)31(29)37-27-12-10-26(11-13-27)36-21-20-32-18-4-3-5-19-32/h6-17,22,33H,2-5,18-21H2,1H3
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1.22n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from human recombinant ERalpha


Bioorg Med Chem Lett 17: 3544-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.044
BindingDB Entry DOI: 10.7270/Q2ZS2W6F
More data for this
Ligand-Target Pair
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