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Compile Data Set for Download or QSAR

Found 52 hits Enz. Inhib. hit(s) with all data for entry = 50015847   
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))
BDBM50161598
PNG
(2-Methyl-4-((1R,2R,5R)-4,4,8-trimethyl-3-oxa-bicyc...)
Show SMILES CC1=CC[C@@H]2C[C@H]1[C@@H](OC2(C)C)c1ccc(O)c(C)c1
Show InChI InChI=1S/C18H24O2/c1-11-5-7-14-10-15(11)17(20-18(14,3)4)13-6-8-16(19)12(2)9-13/h5-6,8-9,14-15,17,19H,7,10H2,1-4H3/t14?,15?,17-/m0/s1
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n/an/an/an/a 218n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro agonist activity for estrogen receptor alpha expressed in COS-1 cells


Bioorg Med Chem Lett 15: 1463-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.077
BindingDB Entry DOI: 10.7270/Q25H7FR7
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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n/an/an/an/a 2.40n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro agonist activity for estrogen receptor alpha expressed in COS-1 cells


Bioorg Med Chem Lett 15: 1463-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.077
BindingDB Entry DOI: 10.7270/Q25H7FR7
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50161615
PNG
(4-((1R,2R,5R)-5-Hydroxymethyl-8-methyl-3-oxa-bicyc...)
Show SMILES CC1=CC[C@@]2(CO)CO[C@H]([C@@H]1C2)c1ccc(O)cc1C
Show InChI InChI=1S/C17H22O3/c1-11-5-6-17(9-18)8-15(11)16(20-10-17)14-4-3-13(19)7-12(14)2/h3-5,7,15-16,18-19H,6,8-10H2,1-2H3/t15?,16-,17+/m0/s1
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n/an/an/an/a 79n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro agonist activity for estrogen receptor beta expressed in COS-1 cells


Bioorg Med Chem Lett 15: 1463-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.077
BindingDB Entry DOI: 10.7270/Q25H7FR7
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50161611
PNG
(4-((1R,2R,5R)-5-Hydroxymethyl-8-methyl-3-oxa-bicyc...)
Show SMILES CC1=CC[C@@]2(CO)CO[C@H]([C@@H]1C2)c1ccc(O)cc1O
Show InChI InChI=1S/C16H20O4/c1-10-4-5-16(8-17)7-13(10)15(20-9-16)12-3-2-11(18)6-14(12)19/h2-4,6,13,15,17-19H,5,7-9H2,1H3/t13?,15-,16+/m0/s1
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n/an/an/an/a 275n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro agonist activity for estrogen receptor beta expressed in COS-1 cells


Bioorg Med Chem Lett 15: 1463-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.077
BindingDB Entry DOI: 10.7270/Q25H7FR7
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50161611
PNG
(4-((1R,2R,5R)-5-Hydroxymethyl-8-methyl-3-oxa-bicyc...)
Show SMILES CC1=CC[C@@]2(CO)CO[C@H]([C@@H]1C2)c1ccc(O)cc1O
Show InChI InChI=1S/C16H20O4/c1-10-4-5-16(8-17)7-13(10)15(20-9-16)12-3-2-11(18)6-14(12)19/h2-4,6,13,15,17-19H,5,7-9H2,1H3/t13?,15-,16+/m0/s1
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n/an/an/an/a 173n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro agonist activity for estrogen receptor alpha expressed in COS-1 cells


Bioorg Med Chem Lett 15: 1463-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.077
BindingDB Entry DOI: 10.7270/Q25H7FR7
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50161606
PNG
(4-((1R,2R,5R)-5-Hydroxymethyl-8-methyl-3-oxa-bicyc...)
Show SMILES CC1=CC[C@@]2(CO)CO[C@H]([C@@H]1C2)c1ccc(O)c(C)c1
Show InChI InChI=1S/C17H22O3/c1-11-5-6-17(9-18)8-14(11)16(20-10-17)13-3-4-15(19)12(2)7-13/h3-5,7,14,16,18-19H,6,8-10H2,1-2H3/t14?,16-,17+/m0/s1
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n/an/an/an/a 305n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro agonist activity for estrogen receptor beta expressed in COS-1 cells


Bioorg Med Chem Lett 15: 1463-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.077
BindingDB Entry DOI: 10.7270/Q25H7FR7
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50161604
PNG
(4-((1R,2R,5R)-5-Hydroxymethyl-8-methyl-3-oxa-bicyc...)
Show SMILES CC1=CC[C@@]2(CO)CO[C@H]([C@@H]1C2)c1ccc(O)cc1
Show InChI InChI=1S/C16H20O3/c1-11-6-7-16(9-17)8-14(11)15(19-10-16)12-2-4-13(18)5-3-12/h2-6,14-15,17-18H,7-10H2,1H3/t14?,15-,16+/m0/s1
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n/an/an/an/a 128n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro agonist activity for estrogen receptor alpha expressed in COS-1 cells


Bioorg Med Chem Lett 15: 1463-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.077
BindingDB Entry DOI: 10.7270/Q25H7FR7
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50161613
PNG
(3-Chloro-4-((1R,2R,5R)-5-hydroxymethyl-1,8-dimethy...)
Show SMILES CC1=CC[C@@]2(CO)CO[C@@H](c3ccc(O)cc3Cl)[C@]1(C)C2
Show InChI InChI=1S/C17H21ClO3/c1-11-5-6-17(9-19)8-16(11,2)15(21-10-17)13-4-3-12(20)7-14(13)18/h3-5,7,15,19-20H,6,8-10H2,1-2H3/t15-,16+,17+/m0/s1
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n/an/an/an/a 67n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro agonist activity for estrogen receptor beta expressed in COS-1 cells


Bioorg Med Chem Lett 15: 1463-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.077
BindingDB Entry DOI: 10.7270/Q25H7FR7
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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n/an/an/an/a 9.70n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro agonist activity for estrogen receptor beta expressed in COS-1 cells


Bioorg Med Chem Lett 15: 1463-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.077
BindingDB Entry DOI: 10.7270/Q25H7FR7
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50161594
PNG
(2-Fluoro-4-((1R,2S,5R)-5-hydroxymethyl-1,8-dimethy...)
Show SMILES CC1=CC[C@@]2(CO)CO[C@@H](c3ccc(O)c(F)c3)[C@]1(C)C2
Show InChI InChI=1S/C17H21FO3/c1-11-5-6-17(9-19)8-16(11,2)15(21-10-17)12-3-4-14(20)13(18)7-12/h3-5,7,15,19-20H,6,8-10H2,1-2H3/t15-,16+,17+/m0/s1
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n/an/an/an/a 6n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro agonist activity for estrogen receptor beta expressed in COS-1 cells


Bioorg Med Chem Lett 15: 1463-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.077
BindingDB Entry DOI: 10.7270/Q25H7FR7
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50161613
PNG
(3-Chloro-4-((1R,2R,5R)-5-hydroxymethyl-1,8-dimethy...)
Show SMILES CC1=CC[C@@]2(CO)CO[C@@H](c3ccc(O)cc3Cl)[C@]1(C)C2
Show InChI InChI=1S/C17H21ClO3/c1-11-5-6-17(9-19)8-16(11,2)15(21-10-17)13-4-3-12(20)7-14(13)18/h3-5,7,15,19-20H,6,8-10H2,1-2H3/t15-,16+,17+/m0/s1
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n/an/an/an/a 43n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro agonist activity for estrogen receptor alpha expressed in COS-1 cells


Bioorg Med Chem Lett 15: 1463-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.077
BindingDB Entry DOI: 10.7270/Q25H7FR7
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50161606
PNG
(4-((1R,2R,5R)-5-Hydroxymethyl-8-methyl-3-oxa-bicyc...)
Show SMILES CC1=CC[C@@]2(CO)CO[C@H]([C@@H]1C2)c1ccc(O)c(C)c1
Show InChI InChI=1S/C17H22O3/c1-11-5-6-17(9-18)8-14(11)16(20-10-17)13-3-4-15(19)12(2)7-13/h3-5,7,14,16,18-19H,6,8-10H2,1-2H3/t14?,16-,17+/m0/s1
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n/an/an/an/a 137n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro agonist activity for estrogen receptor alpha expressed in COS-1 cells


Bioorg Med Chem Lett 15: 1463-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.077
BindingDB Entry DOI: 10.7270/Q25H7FR7
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50161594
PNG
(2-Fluoro-4-((1R,2S,5R)-5-hydroxymethyl-1,8-dimethy...)
Show SMILES CC1=CC[C@@]2(CO)CO[C@@H](c3ccc(O)c(F)c3)[C@]1(C)C2
Show InChI InChI=1S/C17H21FO3/c1-11-5-6-17(9-19)8-16(11,2)15(21-10-17)12-3-4-14(20)13(18)7-12/h3-5,7,15,19-20H,6,8-10H2,1-2H3/t15-,16+,17+/m0/s1
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n/an/an/an/a 68n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro agonist activity for estrogen receptor alpha expressed in COS-1 cells


Bioorg Med Chem Lett 15: 1463-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.077
BindingDB Entry DOI: 10.7270/Q25H7FR7
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50161596
PNG
(4-((1R,2R,5R)-4,4,8-Trimethyl-3-oxa-bicyclo[3.3.1]...)
Show SMILES CC1=CC[C@@H]2C[C@H]1[C@@H](OC2(C)C)c1ccc(O)cc1
Show InChI InChI=1S/C17H22O2/c1-11-4-7-13-10-15(11)16(19-17(13,2)3)12-5-8-14(18)9-6-12/h4-6,8-9,13,15-16,18H,7,10H2,1-3H3/t13?,15?,16-/m0/s1
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n/an/an/an/a 195n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro agonist activity for estrogen receptor beta expressed in COS-1 cells


Bioorg Med Chem Lett 15: 1463-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.077
BindingDB Entry DOI: 10.7270/Q25H7FR7
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50161596
PNG
(4-((1R,2R,5R)-4,4,8-Trimethyl-3-oxa-bicyclo[3.3.1]...)
Show SMILES CC1=CC[C@@H]2C[C@H]1[C@@H](OC2(C)C)c1ccc(O)cc1
Show InChI InChI=1S/C17H22O2/c1-11-4-7-13-10-15(11)16(19-17(13,2)3)12-5-8-14(18)9-6-12/h4-6,8-9,13,15-16,18H,7,10H2,1-3H3/t13?,15?,16-/m0/s1
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n/an/an/an/a 211n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro agonist activity for estrogen receptor alpha expressed in COS-1 cells


Bioorg Med Chem Lett 15: 1463-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.077
BindingDB Entry DOI: 10.7270/Q25H7FR7
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50161598
PNG
(2-Methyl-4-((1R,2R,5R)-4,4,8-trimethyl-3-oxa-bicyc...)
Show SMILES CC1=CC[C@@H]2C[C@H]1[C@@H](OC2(C)C)c1ccc(O)c(C)c1
Show InChI InChI=1S/C18H24O2/c1-11-5-7-14-10-15(11)17(20-18(14,3)4)13-6-8-16(19)12(2)9-13/h5-6,8-9,14-15,17,19H,7,10H2,1-4H3/t14?,15?,17-/m0/s1
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n/an/an/an/a 318n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro agonist activity for estrogen receptor beta expressed in COS-1 cells


Bioorg Med Chem Lett 15: 1463-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.077
BindingDB Entry DOI: 10.7270/Q25H7FR7
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50161615
PNG
(4-((1R,2R,5R)-5-Hydroxymethyl-8-methyl-3-oxa-bicyc...)
Show SMILES CC1=CC[C@@]2(CO)CO[C@H]([C@@H]1C2)c1ccc(O)cc1C
Show InChI InChI=1S/C17H22O3/c1-11-5-6-17(9-18)8-15(11)16(20-10-17)14-4-3-13(19)7-12(14)2/h3-5,7,15-16,18-19H,6,8-10H2,1-2H3/t15?,16-,17+/m0/s1
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n/an/an/an/a 92n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro agonist activity for estrogen receptor alpha expressed in COS-1 cells


Bioorg Med Chem Lett 15: 1463-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.077
BindingDB Entry DOI: 10.7270/Q25H7FR7
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50161593
PNG
(2-Fluoro-4-((1R,2R,5R)-5-hydroxymethyl-8-methyl-3-...)
Show SMILES CC1=CC[C@@]2(CO)CO[C@H]([C@@H]1C2)c1ccc(O)c(F)c1
Show InChI InChI=1S/C16H19FO3/c1-10-4-5-16(8-18)7-12(10)15(20-9-16)11-2-3-14(19)13(17)6-11/h2-4,6,12,15,18-19H,5,7-9H2,1H3/t12?,15-,16+/m0/s1
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n/an/an/an/a 25n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro agonist activity for estrogen receptor beta expressed in COS-1 cells


Bioorg Med Chem Lett 15: 1463-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.077
BindingDB Entry DOI: 10.7270/Q25H7FR7
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50161593
PNG
(2-Fluoro-4-((1R,2R,5R)-5-hydroxymethyl-8-methyl-3-...)
Show SMILES CC1=CC[C@@]2(CO)CO[C@H]([C@@H]1C2)c1ccc(O)c(F)c1
Show InChI InChI=1S/C16H19FO3/c1-10-4-5-16(8-18)7-12(10)15(20-9-16)11-2-3-14(19)13(17)6-11/h2-4,6,12,15,18-19H,5,7-9H2,1H3/t12?,15-,16+/m0/s1
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n/an/an/an/a 4.60n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro agonist activity for estrogen receptor alpha expressed in COS-1 cells


Bioorg Med Chem Lett 15: 1463-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.077
BindingDB Entry DOI: 10.7270/Q25H7FR7
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50161601
PNG
(3-Fluoro-4-((1R,2R,5R)-5-hydroxymethyl-1,8-dimethy...)
Show SMILES CC1=CC[C@@]2(CO)CO[C@@H](c3ccc(O)cc3F)[C@]1(C)C2
Show InChI InChI=1S/C17H21FO3/c1-11-5-6-17(9-19)8-16(11,2)15(21-10-17)13-4-3-12(20)7-14(13)18/h3-5,7,15,19-20H,6,8-10H2,1-2H3/t15-,16+,17+/m0/s1
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n/an/an/an/a 50n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro agonist activity for estrogen receptor alpha expressed in COS-1 cells


Bioorg Med Chem Lett 15: 1463-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.077
BindingDB Entry DOI: 10.7270/Q25H7FR7
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50161612
PNG
((1R,4R,5R)-4-(4-Hydroxy-phenyl)-6,8,8-trimethyl-3-...)
Show SMILES CC1=CC(C)(C)[C@@]2(O)CO[C@H]([C@@H]1C2)c1ccc(O)cc1
Show InChI InChI=1S/C17H22O3/c1-11-8-16(2,3)17(19)9-14(11)15(20-10-17)12-4-6-13(18)7-5-12/h4-8,14-15,18-19H,9-10H2,1-3H3/t14?,15-,17-/m0/s1
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n/an/an/an/a 183n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro agonist activity for estrogen receptor beta expressed in COS-1 cells


Bioorg Med Chem Lett 15: 1463-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.077
BindingDB Entry DOI: 10.7270/Q25H7FR7
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50161595
PNG
(4-((1R,2R,5R)-5-Hydroxymethyl-8-methyl-3-oxa-bicyc...)
Show SMILES CC1=CC[C@@]2(CO)CO[C@H]([C@@H]1C2)c1ccc(O)c(O)c1
Show InChI InChI=1S/C16H20O4/c1-10-4-5-16(8-17)7-12(10)15(20-9-16)11-2-3-13(18)14(19)6-11/h2-4,6,12,15,17-19H,5,7-9H2,1H3/t12?,15-,16+/m0/s1
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n/an/an/an/a 2.41E+3n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro agonist activity for estrogen receptor alpha expressed in COS-1 cells


Bioorg Med Chem Lett 15: 1463-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.077
BindingDB Entry DOI: 10.7270/Q25H7FR7
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50161608
PNG
((1R,4R,5R)-4-(2-Chloro-4-hydroxy-phenyl)-6,8,8-tri...)
Show SMILES CC1=CC(C)(C)[C@@]2(O)CO[C@H]([C@@H]1C2)c1ccc(O)cc1Cl
Show InChI InChI=1S/C17H21ClO3/c1-10-7-16(2,3)17(20)8-13(10)15(21-9-17)12-5-4-11(19)6-14(12)18/h4-7,13,15,19-20H,8-9H2,1-3H3/t13?,15-,17-/m0/s1
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n/an/an/an/a 21n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro agonist activity for estrogen receptor alpha expressed in COS-1 cells


Bioorg Med Chem Lett 15: 1463-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.077
BindingDB Entry DOI: 10.7270/Q25H7FR7
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50161614
PNG
((1S,4R,5S)-4-(4-Hydroxy-phenyl)-6,9,9-trimethyl-3-...)
Show SMILES CC1=CC[C@@]2(O)CO[C@H]([C@@H]1C2(C)C)c1ccc(O)cc1
Show InChI InChI=1S/C17H22O3/c1-11-8-9-17(19)10-20-15(14(11)16(17,2)3)12-4-6-13(18)7-5-12/h4-8,14-15,18-19H,9-10H2,1-3H3/t14-,15+,17-/m1/s1
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n/an/an/an/a 24n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro agonist activity for estrogen receptor beta expressed in COS-1 cells


Bioorg Med Chem Lett 15: 1463-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.077
BindingDB Entry DOI: 10.7270/Q25H7FR7
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50161607
PNG
((1S,4R,5R)-4-(2-Fluoro-4-hydroxy-phenyl)-2,2,6-tri...)
Show SMILES CC1=CC[C@]2(O)C[C@H]1[C@@H](OC2(C)C)c1ccc(O)cc1F
Show InChI InChI=1S/C17H21FO3/c1-10-6-7-17(20)9-13(10)15(21-16(17,2)3)12-5-4-11(19)8-14(12)18/h4-6,8,13,15,19-20H,7,9H2,1-3H3/t13?,15-,17-/m0/s1
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n/an/an/an/a 1.10n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro agonist activity for estrogen receptor alpha expressed in COS-1 cells


Bioorg Med Chem Lett 15: 1463-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.077
BindingDB Entry DOI: 10.7270/Q25H7FR7
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50161603
PNG
((1S,4R,5R)-4-(3-Fluoro-4-hydroxy-phenyl)-2,2,6-tri...)
Show SMILES CC1=CC[C@]2(O)C[C@H]1[C@@H](OC2(C)C)c1ccc(O)c(F)c1
Show InChI InChI=1S/C17H21FO3/c1-10-6-7-17(20)9-12(10)15(21-16(17,2)3)11-4-5-14(19)13(18)8-11/h4-6,8,12,15,19-20H,7,9H2,1-3H3/t12?,15-,17-/m0/s1
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n/an/an/an/a 0.600n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro agonist activity for estrogen receptor alpha expressed in COS-1 cells


Bioorg Med Chem Lett 15: 1463-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.077
BindingDB Entry DOI: 10.7270/Q25H7FR7
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50161610
PNG
(2-Bromo-4-((1R,2R,5R)-5-hydroxymethyl-8-methyl-3-o...)
Show SMILES CC1=CC[C@@]2(CO)CO[C@H]([C@@H]1C2)c1ccc(O)c(Br)c1
Show InChI InChI=1S/C16H19BrO3/c1-10-4-5-16(8-18)7-12(10)15(20-9-16)11-2-3-14(19)13(17)6-11/h2-4,6,12,15,18-19H,5,7-9H2,1H3/t12?,15-,16+/m0/s1
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n/an/an/an/a 336n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro agonist activity for estrogen receptor alpha expressed in COS-1 cells


Bioorg Med Chem Lett 15: 1463-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.077
BindingDB Entry DOI: 10.7270/Q25H7FR7
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50161602
PNG
(4-((1R,2R,5R)-5-Hydroxymethyl-8-methyl-3-oxa-bicyc...)
Show SMILES CC1=CC[C@@]2(CO)CO[C@H]([C@@H]1C2)c1cc(C)c(O)c(C)c1
Show InChI InChI=1S/C18H24O3/c1-11-4-5-18(9-19)8-15(11)17(21-10-18)14-6-12(2)16(20)13(3)7-14/h4,6-7,15,17,19-20H,5,8-10H2,1-3H3/t15?,17-,18+/m0/s1
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n/an/an/an/a 2.83E+3n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro agonist activity for estrogen receptor beta expressed in COS-1 cells


Bioorg Med Chem Lett 15: 1463-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.077
BindingDB Entry DOI: 10.7270/Q25H7FR7
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50161592
PNG
(3-Chloro-4-((1R,2R,5R)-5-hydroxymethyl-8-methyl-3-...)
Show SMILES CC1=CC[C@@]2(CO)CO[C@H]([C@@H]1C2)c1ccc(O)cc1Cl
Show InChI InChI=1S/C16H19ClO3/c1-10-4-5-16(8-18)7-13(10)15(20-9-16)12-3-2-11(19)6-14(12)17/h2-4,6,13,15,18-19H,5,7-9H2,1H3/t13?,15-,16+/m0/s1
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n/an/an/an/a 18n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro agonist activity for estrogen receptor alpha expressed in COS-1 cells


Bioorg Med Chem Lett 15: 1463-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.077
BindingDB Entry DOI: 10.7270/Q25H7FR7
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50161599
PNG
(3-Fluoro-4-((1R,2R,5R)-5-hydroxymethyl-8-methyl-3-...)
Show SMILES CC1=CC[C@@]2(CO)CO[C@H]([C@@H]1C2)c1ccc(O)cc1F
Show InChI InChI=1S/C16H19FO3/c1-10-4-5-16(8-18)7-13(10)15(20-9-16)12-3-2-11(19)6-14(12)17/h2-4,6,13,15,18-19H,5,7-9H2,1H3/t13?,15-,16+/m0/s1
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n/an/an/an/a 19n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro agonist activity for estrogen receptor alpha expressed in COS-1 cells


Bioorg Med Chem Lett 15: 1463-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.077
BindingDB Entry DOI: 10.7270/Q25H7FR7
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50161609
PNG
(4-((1R,2S,5R)-5-Hydroxymethyl-1,8-dimethyl-3-oxa-b...)
Show SMILES CC1=CC[C@@]2(CO)CO[C@@H](c3ccc(O)cc3)[C@]1(C)C2
Show InChI InChI=1S/C17H22O3/c1-12-7-8-17(10-18)9-16(12,2)15(20-11-17)13-3-5-14(19)6-4-13/h3-7,15,18-19H,8-11H2,1-2H3/t15-,16+,17+/m0/s1
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n/an/an/an/a 39n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro agonist activity for estrogen receptor beta expressed in COS-1 cells


Bioorg Med Chem Lett 15: 1463-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.077
BindingDB Entry DOI: 10.7270/Q25H7FR7
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50161605
PNG
(2-Chloro-4-((1R,2R,5R)-5-hydroxymethyl-8-methyl-3-...)
Show SMILES CC1=CC[C@@]2(CO)CO[C@H]([C@@H]1C2)c1ccc(O)c(Cl)c1
Show InChI InChI=1S/C16H19ClO3/c1-10-4-5-16(8-18)7-12(10)15(20-9-16)11-2-3-14(19)13(17)6-11/h2-4,6,12,15,18-19H,5,7-9H2,1H3/t12?,15-,16+/m0/s1
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n/an/an/an/a 197n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro agonist activity for estrogen receptor beta expressed in COS-1 cells


Bioorg Med Chem Lett 15: 1463-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.077
BindingDB Entry DOI: 10.7270/Q25H7FR7
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50161614
PNG
((1S,4R,5S)-4-(4-Hydroxy-phenyl)-6,9,9-trimethyl-3-...)
Show SMILES CC1=CC[C@@]2(O)CO[C@H]([C@@H]1C2(C)C)c1ccc(O)cc1
Show InChI InChI=1S/C17H22O3/c1-11-8-9-17(19)10-20-15(14(11)16(17,2)3)12-4-6-13(18)7-5-12/h4-8,14-15,18-19H,9-10H2,1-3H3/t14-,15+,17-/m1/s1
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n/an/an/an/a 59n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro agonist activity for estrogen receptor alpha expressed in COS-1 cells


Bioorg Med Chem Lett 15: 1463-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.077
BindingDB Entry DOI: 10.7270/Q25H7FR7
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50161609
PNG
(4-((1R,2S,5R)-5-Hydroxymethyl-1,8-dimethyl-3-oxa-b...)
Show SMILES CC1=CC[C@@]2(CO)CO[C@@H](c3ccc(O)cc3)[C@]1(C)C2
Show InChI InChI=1S/C17H22O3/c1-12-7-8-17(10-18)9-16(12,2)15(20-11-17)13-3-5-14(19)6-4-13/h3-7,15,18-19H,8-11H2,1-2H3/t15-,16+,17+/m0/s1
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n/an/an/an/a 203n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro agonist activity for estrogen receptor alpha expressed in COS-1 cells


Bioorg Med Chem Lett 15: 1463-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.077
BindingDB Entry DOI: 10.7270/Q25H7FR7
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50161616
PNG
((1S,4R,5R)-4-(2-Chloro-4-hydroxy-phenyl)-2,2,6-tri...)
Show SMILES CC1=CC[C@]2(O)C[C@H]1[C@@H](OC2(C)C)c1ccc(O)cc1Cl
Show InChI InChI=1S/C17H21ClO3/c1-10-6-7-17(20)9-13(10)15(21-16(17,2)3)12-5-4-11(19)8-14(12)18/h4-6,8,13,15,19-20H,7,9H2,1-3H3/t13?,15-,17-/m0/s1
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n/an/an/an/a 6n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro agonist activity for estrogen receptor beta expressed in COS-1 cells


Bioorg Med Chem Lett 15: 1463-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.077
BindingDB Entry DOI: 10.7270/Q25H7FR7
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50161605
PNG
(2-Chloro-4-((1R,2R,5R)-5-hydroxymethyl-8-methyl-3-...)
Show SMILES CC1=CC[C@@]2(CO)CO[C@H]([C@@H]1C2)c1ccc(O)c(Cl)c1
Show InChI InChI=1S/C16H19ClO3/c1-10-4-5-16(8-18)7-12(10)15(20-9-16)11-2-3-14(19)13(17)6-11/h2-4,6,12,15,18-19H,5,7-9H2,1H3/t12?,15-,16+/m0/s1
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n/an/an/an/a 36n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro agonist activity for estrogen receptor alpha expressed in COS-1 cells


Bioorg Med Chem Lett 15: 1463-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.077
BindingDB Entry DOI: 10.7270/Q25H7FR7
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50161597
PNG
((1S,4R,5R)-4-(4-Hydroxy-phenyl)-2,2,6-trimethyl-3-...)
Show SMILES CC1=CC[C@]2(O)C[C@H]1[C@@H](OC2(C)C)c1ccc(O)cc1
Show InChI InChI=1S/C17H22O3/c1-11-8-9-17(19)10-14(11)15(20-16(17,2)3)12-4-6-13(18)7-5-12/h4-8,14-15,18-19H,9-10H2,1-3H3/t14?,15-,17-/m0/s1
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n/an/an/an/a 9.20n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro agonist activity for estrogen receptor beta expressed in COS-1 cells


Bioorg Med Chem Lett 15: 1463-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.077
BindingDB Entry DOI: 10.7270/Q25H7FR7
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50161592
PNG
(3-Chloro-4-((1R,2R,5R)-5-hydroxymethyl-8-methyl-3-...)
Show SMILES CC1=CC[C@@]2(CO)CO[C@H]([C@@H]1C2)c1ccc(O)cc1Cl
Show InChI InChI=1S/C16H19ClO3/c1-10-4-5-16(8-18)7-13(10)15(20-9-16)12-3-2-11(19)6-14(12)17/h2-4,6,13,15,18-19H,5,7-9H2,1H3/t13?,15-,16+/m0/s1
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n/an/an/an/a 5.30n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro agonist activity for estrogen receptor beta expressed in COS-1 cells


Bioorg Med Chem Lett 15: 1463-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.077
BindingDB Entry DOI: 10.7270/Q25H7FR7
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50161597
PNG
((1S,4R,5R)-4-(4-Hydroxy-phenyl)-2,2,6-trimethyl-3-...)
Show SMILES CC1=CC[C@]2(O)C[C@H]1[C@@H](OC2(C)C)c1ccc(O)cc1
Show InChI InChI=1S/C17H22O3/c1-11-8-9-17(19)10-14(11)15(20-16(17,2)3)12-4-6-13(18)7-5-12/h4-8,14-15,18-19H,9-10H2,1-3H3/t14?,15-,17-/m0/s1
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n/an/an/an/a 1.60n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro agonist activity for estrogen receptor alpha expressed in COS-1 cells


Bioorg Med Chem Lett 15: 1463-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.077
BindingDB Entry DOI: 10.7270/Q25H7FR7
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50161599
PNG
(3-Fluoro-4-((1R,2R,5R)-5-hydroxymethyl-8-methyl-3-...)
Show SMILES CC1=CC[C@@]2(CO)CO[C@H]([C@@H]1C2)c1ccc(O)cc1F
Show InChI InChI=1S/C16H19FO3/c1-10-4-5-16(8-18)7-13(10)15(20-9-16)12-3-2-11(19)6-14(12)17/h2-4,6,13,15,18-19H,5,7-9H2,1H3/t13?,15-,16+/m0/s1
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n/an/an/an/a 3.10n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro agonist activity for estrogen receptor beta expressed in COS-1 cells


Bioorg Med Chem Lett 15: 1463-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.077
BindingDB Entry DOI: 10.7270/Q25H7FR7
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50161616
PNG
((1S,4R,5R)-4-(2-Chloro-4-hydroxy-phenyl)-2,2,6-tri...)
Show SMILES CC1=CC[C@]2(O)C[C@H]1[C@@H](OC2(C)C)c1ccc(O)cc1Cl
Show InChI InChI=1S/C17H21ClO3/c1-10-6-7-17(20)9-13(10)15(21-16(17,2)3)12-5-4-11(19)8-14(12)18/h4-6,8,13,15,19-20H,7,9H2,1-3H3/t13?,15-,17-/m0/s1
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n/an/an/an/a 1n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro agonist activity for estrogen receptor alpha expressed in COS-1 cells


Bioorg Med Chem Lett 15: 1463-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.077
BindingDB Entry DOI: 10.7270/Q25H7FR7
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50161600
PNG
(4-((1R,2R,5R)-5-Hydroxymethyl-8-methyl-3-oxa-bicyc...)
Show SMILES COc1cc(ccc1O)[C@@H]1OC[C@]2(CO)CC=C(C)[C@H]1C2
Show InChI InChI=1S/C17H22O4/c1-11-5-6-17(9-18)8-13(11)16(21-10-17)12-3-4-14(19)15(7-12)20-2/h3-5,7,13,16,18-19H,6,8-10H2,1-2H3/t13?,16-,17+/m0/s1
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n/an/an/an/a 1.98E+3n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro agonist activity for estrogen receptor alpha expressed in COS-1 cells


Bioorg Med Chem Lett 15: 1463-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.077
BindingDB Entry DOI: 10.7270/Q25H7FR7
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50161600
PNG
(4-((1R,2R,5R)-5-Hydroxymethyl-8-methyl-3-oxa-bicyc...)
Show SMILES COc1cc(ccc1O)[C@@H]1OC[C@]2(CO)CC=C(C)[C@H]1C2
Show InChI InChI=1S/C17H22O4/c1-11-5-6-17(9-18)8-13(11)16(21-10-17)12-3-4-14(19)15(7-12)20-2/h3-5,7,13,16,18-19H,6,8-10H2,1-2H3/t13?,16-,17+/m0/s1
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n/an/an/an/a 3.05E+3n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro agonist activity for estrogen receptor beta expressed in COS-1 cells


Bioorg Med Chem Lett 15: 1463-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.077
BindingDB Entry DOI: 10.7270/Q25H7FR7
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50161610
PNG
(2-Bromo-4-((1R,2R,5R)-5-hydroxymethyl-8-methyl-3-o...)
Show SMILES CC1=CC[C@@]2(CO)CO[C@H]([C@@H]1C2)c1ccc(O)c(Br)c1
Show InChI InChI=1S/C16H19BrO3/c1-10-4-5-16(8-18)7-12(10)15(20-9-16)11-2-3-14(19)13(17)6-11/h2-4,6,12,15,18-19H,5,7-9H2,1H3/t12?,15-,16+/m0/s1
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n/an/an/an/a 485n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro agonist activity for estrogen receptor beta expressed in COS-1 cells


Bioorg Med Chem Lett 15: 1463-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.077
BindingDB Entry DOI: 10.7270/Q25H7FR7
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50161607
PNG
((1S,4R,5R)-4-(2-Fluoro-4-hydroxy-phenyl)-2,2,6-tri...)
Show SMILES CC1=CC[C@]2(O)C[C@H]1[C@@H](OC2(C)C)c1ccc(O)cc1F
Show InChI InChI=1S/C17H21FO3/c1-10-6-7-17(20)9-13(10)15(21-16(17,2)3)12-5-4-11(19)8-14(12)18/h4-6,8,13,15,19-20H,7,9H2,1-3H3/t13?,15-,17-/m0/s1
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n/an/an/an/a 1.40n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro agonist activity for estrogen receptor beta expressed in COS-1 cells


Bioorg Med Chem Lett 15: 1463-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.077
BindingDB Entry DOI: 10.7270/Q25H7FR7
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50161612
PNG
((1R,4R,5R)-4-(4-Hydroxy-phenyl)-6,8,8-trimethyl-3-...)
Show SMILES CC1=CC(C)(C)[C@@]2(O)CO[C@H]([C@@H]1C2)c1ccc(O)cc1
Show InChI InChI=1S/C17H22O3/c1-11-8-16(2,3)17(19)9-14(11)15(20-10-17)12-4-6-13(18)7-5-12/h4-8,14-15,18-19H,9-10H2,1-3H3/t14?,15-,17-/m0/s1
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n/an/an/an/a 141n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro agonist activity for estrogen receptor alpha expressed in COS-1 cells


Bioorg Med Chem Lett 15: 1463-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.077
BindingDB Entry DOI: 10.7270/Q25H7FR7
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50161603
PNG
((1S,4R,5R)-4-(3-Fluoro-4-hydroxy-phenyl)-2,2,6-tri...)
Show SMILES CC1=CC[C@]2(O)C[C@H]1[C@@H](OC2(C)C)c1ccc(O)c(F)c1
Show InChI InChI=1S/C17H21FO3/c1-10-6-7-17(20)9-12(10)15(21-16(17,2)3)11-4-5-14(19)13(18)8-11/h4-6,8,12,15,19-20H,7,9H2,1-3H3/t12?,15-,17-/m0/s1
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n/an/an/an/a 7.20n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro agonist activity for estrogen receptor beta expressed in COS-1 cells


Bioorg Med Chem Lett 15: 1463-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.077
BindingDB Entry DOI: 10.7270/Q25H7FR7
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50161595
PNG
(4-((1R,2R,5R)-5-Hydroxymethyl-8-methyl-3-oxa-bicyc...)
Show SMILES CC1=CC[C@@]2(CO)CO[C@H]([C@@H]1C2)c1ccc(O)c(O)c1
Show InChI InChI=1S/C16H20O4/c1-10-4-5-16(8-17)7-12(10)15(20-9-16)11-2-3-13(18)14(19)6-11/h2-4,6,12,15,17-19H,5,7-9H2,1H3/t12?,15-,16+/m0/s1
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n/an/an/an/a 3.16E+3n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro agonist activity for estrogen receptor beta expressed in COS-1 cells


Bioorg Med Chem Lett 15: 1463-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.077
BindingDB Entry DOI: 10.7270/Q25H7FR7
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50161601
PNG
(3-Fluoro-4-((1R,2R,5R)-5-hydroxymethyl-1,8-dimethy...)
Show SMILES CC1=CC[C@@]2(CO)CO[C@@H](c3ccc(O)cc3F)[C@]1(C)C2
Show InChI InChI=1S/C17H21FO3/c1-11-5-6-17(9-19)8-16(11,2)15(21-10-17)13-4-3-12(20)7-14(13)18/h3-5,7,15,19-20H,6,8-10H2,1-2H3/t15-,16+,17+/m0/s1
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n/an/an/an/a 12n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro agonist activity for estrogen receptor beta expressed in COS-1 cells


Bioorg Med Chem Lett 15: 1463-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.077
BindingDB Entry DOI: 10.7270/Q25H7FR7
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50161608
PNG
((1R,4R,5R)-4-(2-Chloro-4-hydroxy-phenyl)-6,8,8-tri...)
Show SMILES CC1=CC(C)(C)[C@@]2(O)CO[C@H]([C@@H]1C2)c1ccc(O)cc1Cl
Show InChI InChI=1S/C17H21ClO3/c1-10-7-16(2,3)17(20)8-13(10)15(21-9-17)12-5-4-11(19)6-14(12)18/h4-7,13,15,19-20H,8-9H2,1-3H3/t13?,15-,17-/m0/s1
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n/an/an/an/a 25n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro agonist activity for estrogen receptor beta expressed in COS-1 cells


Bioorg Med Chem Lett 15: 1463-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.077
BindingDB Entry DOI: 10.7270/Q25H7FR7
More data for this
Ligand-Target Pair
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