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PubMed code 21885279

Compile data set for download or QSAR
Found 31 hits of Enzyme Inhibition Constant Data   
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))		BDBM50354953
PNG
(CHEMBL1836903)
Show SMILES CN(CC(C)(O)c1ccccc1)S(=O)(=O)c1ccc(O)cc1
Show InChI InChI=1S/C16H19NO4S/c1-16(19,13-6-4-3-5-7-13)12-17(2)22(20,21)15-10-8-14(18)9-11-15/h3-11,18-19H,12H2,1-2H3
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n/an/an/an/a>3.20E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at ERalpha expressed in HEK cells co-expressing beta-lactamase after 18 hrs by beta-lactamase reporter gene assay

Bioorg Med Chem Lett 21: 5680-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.041
BindingDB Entry DOI: 10.7270/Q2JS9QTC
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50354960
PNG
(CHEMBL1836910)
Show SMILES CCCCC(O)(CN(C1CC1)S(=O)(=O)c1ccc(O)cc1)c1ccccc1
Show InChI InChI=1S/C21H27NO4S/c1-2-3-15-21(24,17-7-5-4-6-8-17)16-22(18-9-10-18)27(25,26)20-13-11-19(23)12-14-20/h4-8,11-14,18,23-24H,2-3,9-10,15-16H2,1H3
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n/an/an/an/a 65n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at ERbeta expressed in UAS cells co-expressing beta-lactamase after 18 hrs by beta-lactamase reporter gene assay

Bioorg Med Chem Lett 21: 5680-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.041
BindingDB Entry DOI: 10.7270/Q2JS9QTC
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50354957
PNG
(CHEMBL1836907)
Show SMILES C[C@](O)(CN(C1CC1)S(=O)(=O)c1ccc(O)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C18H21NO4S/c1-18(21,14-5-3-2-4-6-14)13-19(15-7-8-15)24(22,23)17-11-9-16(20)10-12-17/h2-6,9-12,15,20-21H,7-8,13H2,1H3/t18-/m0/s1
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n/an/an/an/a 79n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at ERbeta expressed in UAS cells co-expressing beta-lactamase after 18 hrs by beta-lactamase reporter gene assay

Bioorg Med Chem Lett 21: 5680-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.041
BindingDB Entry DOI: 10.7270/Q2JS9QTC
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50354963
PNG
(CHEMBL1836913)
Show SMILES CC(O)(CN(C1CC1)S(=O)(=O)c1ccc(O)cc1)c1ccn[nH]1
Show InChI InChI=1S/C15H19N3O4S/c1-15(20,14-8-9-16-17-14)10-18(11-2-3-11)23(21,22)13-6-4-12(19)5-7-13/h4-9,11,19-20H,2-3,10H2,1H3,(H,16,17)
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n/an/an/an/a 1.48E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at ERbeta expressed in UAS cells co-expressing beta-lactamase after 18 hrs by beta-lactamase reporter gene assay

Bioorg Med Chem Lett 21: 5680-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.041
BindingDB Entry DOI: 10.7270/Q2JS9QTC
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50354964
PNG
(CHEMBL1836914)
Show SMILES CC(O)(CN(C1CC1)S(=O)(=O)c1ccc(O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C18H21NO5S/c1-18(22,13-2-6-15(20)7-3-13)12-19(14-4-5-14)25(23,24)17-10-8-16(21)9-11-17/h2-3,6-11,14,20-22H,4-5,12H2,1H3
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n/an/an/an/a 437n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at ERbeta expressed in UAS cells co-expressing beta-lactamase after 18 hrs by beta-lactamase reporter gene assay

Bioorg Med Chem Lett 21: 5680-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.041
BindingDB Entry DOI: 10.7270/Q2JS9QTC
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50354964
PNG
(CHEMBL1836914)
Show SMILES CC(O)(CN(C1CC1)S(=O)(=O)c1ccc(O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C18H21NO5S/c1-18(22,13-2-6-15(20)7-3-13)12-19(14-4-5-14)25(23,24)17-10-8-16(21)9-11-17/h2-3,6-11,14,20-22H,4-5,12H2,1H3
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n/an/an/an/a>4.80E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at ERalpha expressed in HEK cells co-expressing beta-lactamase after 18 hrs by beta-lactamase reporter gene assay

Bioorg Med Chem Lett 21: 5680-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.041
BindingDB Entry DOI: 10.7270/Q2JS9QTC
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
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 0.25n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at ERbeta expressed in UAS cells co-expressing beta-lactamase after 18 hrs by beta-lactamase reporter gene assay

Bioorg Med Chem Lett 21: 5680-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.041
BindingDB Entry DOI: 10.7270/Q2JS9QTC
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50354950
PNG
(CHEMBL1836900)
Show SMILES Oc1ccc(cc1)N(CCC(F)(F)F)S(=O)(=O)c1ccc(O)cc1
Show InChI InChI=1S/C15H14F3NO4S/c16-15(17,18)9-10-19(11-1-3-12(20)4-2-11)24(22,23)14-7-5-13(21)6-8-14/h1-8,20-21H,9-10H2
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n/an/an/an/a 43n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at ERbeta expressed in UAS cells co-expressing beta-lactamase after 18 hrs by beta-lactamase reporter gene assay

Bioorg Med Chem Lett 21: 5680-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.041
BindingDB Entry DOI: 10.7270/Q2JS9QTC
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50354956
PNG
(CHEMBL1836906)
Show SMILES CC(O)(CN(C1CC1)S(=O)(=O)c1ccc(O)cc1)c1ccccc1
Show InChI InChI=1S/C18H21NO4S/c1-18(21,14-5-3-2-4-6-14)13-19(15-7-8-15)24(22,23)17-11-9-16(20)10-12-17/h2-6,9-12,15,20-21H,7-8,13H2,1H3
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n/an/an/an/a 101n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at ERbeta expressed in UAS cells co-expressing beta-lactamase after 18 hrs by beta-lactamase reporter gene assay

Bioorg Med Chem Lett 21: 5680-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.041
BindingDB Entry DOI: 10.7270/Q2JS9QTC
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))		BDBM50354958
PNG
(CHEMBL1836908)
Show SMILES C[C@@](O)(CN(C1CC1)S(=O)(=O)c1ccc(O)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C18H21NO4S/c1-18(21,14-5-3-2-4-6-14)13-19(15-7-8-15)24(22,23)17-11-9-16(20)10-12-17/h2-6,9-12,15,20-21H,7-8,13H2,1H3/t18-/m1/s1
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n/an/an/an/a>4.56E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at ERalpha expressed in HEK cells co-expressing beta-lactamase after 18 hrs by beta-lactamase reporter gene assay

Bioorg Med Chem Lett 21: 5680-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.041
BindingDB Entry DOI: 10.7270/Q2JS9QTC
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50354955
PNG
(CHEMBL1836905)
Show SMILES CCCCN(CC(C)(O)c1ccccc1)S(=O)(=O)c1ccc(O)cc1
Show InChI InChI=1S/C19H25NO4S/c1-3-4-14-20(15-19(2,22)16-8-6-5-7-9-16)25(23,24)18-12-10-17(21)11-13-18/h5-13,21-22H,3-4,14-15H2,1-2H3
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n/an/an/an/a 84n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at ERbeta expressed in UAS cells co-expressing beta-lactamase after 18 hrs by beta-lactamase reporter gene assay

Bioorg Med Chem Lett 21: 5680-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.041
BindingDB Entry DOI: 10.7270/Q2JS9QTC
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50354959
PNG
(CHEMBL1836909)
Show SMILES Oc1ccc(cc1)S(=O)(=O)N(CC(O)(c1ccccc1)C(F)(F)F)C1CC1
Show InChI InChI=1S/C18H18F3NO4S/c19-18(20,21)17(24,13-4-2-1-3-5-13)12-22(14-6-7-14)27(25,26)16-10-8-15(23)9-11-16/h1-5,8-11,14,23-24H,6-7,12H2
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n/an/an/an/a 14n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at ERbeta expressed in UAS cells co-expressing beta-lactamase after 18 hrs by beta-lactamase reporter gene assay

Bioorg Med Chem Lett 21: 5680-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.041
BindingDB Entry DOI: 10.7270/Q2JS9QTC
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50354959
PNG
(CHEMBL1836909)
Show SMILES Oc1ccc(cc1)S(=O)(=O)N(CC(O)(c1ccccc1)C(F)(F)F)C1CC1
Show InChI InChI=1S/C18H18F3NO4S/c19-18(20,21)17(24,13-4-2-1-3-5-13)12-22(14-6-7-14)27(25,26)16-10-8-15(23)9-11-16/h1-5,8-11,14,23-24H,6-7,12H2
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n/an/an/an/a>2.68E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at ERalpha expressed in HEK cells co-expressing beta-lactamase after 18 hrs by beta-lactamase reporter gene assay

Bioorg Med Chem Lett 21: 5680-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.041
BindingDB Entry DOI: 10.7270/Q2JS9QTC
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50354960
PNG
(CHEMBL1836910)
Show SMILES CCCCC(O)(CN(C1CC1)S(=O)(=O)c1ccc(O)cc1)c1ccccc1
Show InChI InChI=1S/C21H27NO4S/c1-2-3-15-21(24,17-7-5-4-6-8-17)16-22(18-9-10-18)27(25,26)20-13-11-19(23)12-14-20/h4-8,11-14,18,23-24H,2-3,9-10,15-16H2,1H3
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n/an/an/an/a>6.51E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at ERalpha expressed in HEK cells co-expressing beta-lactamase after 18 hrs by beta-lactamase reporter gene assay

Bioorg Med Chem Lett 21: 5680-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.041
BindingDB Entry DOI: 10.7270/Q2JS9QTC
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50354951
PNG
(CHEMBL1836901)
Show SMILES OC[C@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(O)cc1 |r,THB:10:9:8.2.3:5.6|
Show InChI InChI=1S/C14H19NO4S/c16-9-10-7-11-1-2-12(8-10)15(11)20(18,19)14-5-3-13(17)4-6-14/h3-6,10-12,16-17H,1-2,7-9H2/t10-,11-,12+
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n/an/an/an/a 3.50E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at ERalpha expressed in HEK cells co-expressing beta-lactamase after 18 hrs by beta-lactamase reporter gene assay

Bioorg Med Chem Lett 21: 5680-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.041
BindingDB Entry DOI: 10.7270/Q2JS9QTC
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50354957
PNG
(CHEMBL1836907)
Show SMILES C[C@](O)(CN(C1CC1)S(=O)(=O)c1ccc(O)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C18H21NO4S/c1-18(21,14-5-3-2-4-6-14)13-19(15-7-8-15)24(22,23)17-11-9-16(20)10-12-17/h2-6,9-12,15,20-21H,7-8,13H2,1H3/t18-/m0/s1
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n/an/an/an/a>5.40E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at ERalpha expressed in HEK cells co-expressing beta-lactamase after 18 hrs by beta-lactamase reporter gene assay

Bioorg Med Chem Lett 21: 5680-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.041
BindingDB Entry DOI: 10.7270/Q2JS9QTC
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50354961
PNG
(CHEMBL1836911)
Show SMILES CC(O)(CN(C1CC1)S(=O)(=O)c1ccc(O)cc1)c1ccccc1F
Show InChI InChI=1S/C18H20FNO4S/c1-18(22,16-4-2-3-5-17(16)19)12-20(13-6-7-13)25(23,24)15-10-8-14(21)9-11-15/h2-5,8-11,13,21-22H,6-7,12H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at ERalpha expressed in HEK cells co-expressing beta-lactamase after 18 hrs by beta-lactamase reporter gene assay

Bioorg Med Chem Lett 21: 5680-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.041
BindingDB Entry DOI: 10.7270/Q2JS9QTC
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50354963
PNG
(CHEMBL1836913)
Show SMILES CC(O)(CN(C1CC1)S(=O)(=O)c1ccc(O)cc1)c1ccn[nH]1
Show InChI InChI=1S/C15H19N3O4S/c1-15(20,14-8-9-16-17-14)10-18(11-2-3-11)23(21,22)13-6-4-12(19)5-7-13/h4-9,11,19-20H,2-3,10H2,1H3,(H,16,17)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at ERalpha expressed in HEK cells co-expressing beta-lactamase after 18 hrs by beta-lactamase reporter gene assay

Bioorg Med Chem Lett 21: 5680-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.041
BindingDB Entry DOI: 10.7270/Q2JS9QTC
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50354951
PNG
(CHEMBL1836901)
Show SMILES OC[C@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(O)cc1 |r,THB:10:9:8.2.3:5.6|
Show InChI InChI=1S/C14H19NO4S/c16-9-10-7-11-1-2-12(8-10)15(11)20(18,19)14-5-3-13(17)4-6-14/h3-6,10-12,16-17H,1-2,7-9H2/t10-,11-,12+
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n/an/an/an/a>3.00E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at ERbeta expressed in UAS cells co-expressing beta-lactamase after 18 hrs by beta-lactamase reporter gene assay

Bioorg Med Chem Lett 21: 5680-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.041
BindingDB Entry DOI: 10.7270/Q2JS9QTC
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50354954
PNG
(CHEMBL1836904)
Show SMILES CC(C)N(CC(C)(O)c1ccccc1)S(=O)(=O)c1ccc(O)cc1
Show InChI InChI=1S/C18H23NO4S/c1-14(2)19(13-18(3,21)15-7-5-4-6-8-15)24(22,23)17-11-9-16(20)10-12-17/h4-12,14,20-21H,13H2,1-3H3
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n/an/an/an/a 418n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at ERbeta expressed in UAS cells co-expressing beta-lactamase after 18 hrs by beta-lactamase reporter gene assay

Bioorg Med Chem Lett 21: 5680-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.041
BindingDB Entry DOI: 10.7270/Q2JS9QTC
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50354954
PNG
(CHEMBL1836904)
Show SMILES CC(C)N(CC(C)(O)c1ccccc1)S(=O)(=O)c1ccc(O)cc1
Show InChI InChI=1S/C18H23NO4S/c1-14(2)19(13-18(3,21)15-7-5-4-6-8-15)24(22,23)17-11-9-16(20)10-12-17/h4-12,14,20-21H,13H2,1-3H3
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n/an/an/an/a>2.61E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at ERalpha expressed in HEK cells co-expressing beta-lactamase after 18 hrs by beta-lactamase reporter gene assay

Bioorg Med Chem Lett 21: 5680-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.041
BindingDB Entry DOI: 10.7270/Q2JS9QTC
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50354961
PNG
(CHEMBL1836911)
Show SMILES CC(O)(CN(C1CC1)S(=O)(=O)c1ccc(O)cc1)c1ccccc1F
Show InChI InChI=1S/C18H20FNO4S/c1-18(22,16-4-2-3-5-17(16)19)12-20(13-6-7-13)25(23,24)15-10-8-14(21)9-11-15/h2-5,8-11,13,21-22H,6-7,12H2,1H3
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n/an/an/an/a 48n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at ERbeta expressed in UAS cells co-expressing beta-lactamase after 18 hrs by beta-lactamase reporter gene assay

Bioorg Med Chem Lett 21: 5680-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.041
BindingDB Entry DOI: 10.7270/Q2JS9QTC
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50354952
PNG
(CHEMBL1836902)
Show SMILES Cc1ccc(O)c(CCNS(=O)(=O)c2ccc(O)cc2)c1
Show InChI InChI=1S/C15H17NO4S/c1-11-2-7-15(18)12(10-11)8-9-16-21(19,20)14-5-3-13(17)4-6-14/h2-7,10,16-18H,8-9H2,1H3
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n/an/an/an/a>2.40E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at ERbeta expressed in UAS cells co-expressing beta-lactamase after 18 hrs by beta-lactamase reporter gene assay

Bioorg Med Chem Lett 21: 5680-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.041
BindingDB Entry DOI: 10.7270/Q2JS9QTC
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50354962
PNG
(CHEMBL1836912)
Show SMILES CC(O)(CN(C1CC1)S(=O)(=O)c1ccc(O)cc1)c1c(F)cccc1F
Show InChI InChI=1S/C18H19F2NO4S/c1-18(23,17-15(19)3-2-4-16(17)20)11-21(12-5-6-12)26(24,25)14-9-7-13(22)8-10-14/h2-4,7-10,12,22-23H,5-6,11H2,1H3
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n/an/an/an/a 51n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at ERbeta expressed in UAS cells co-expressing beta-lactamase after 18 hrs by beta-lactamase reporter gene assay

Bioorg Med Chem Lett 21: 5680-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.041
BindingDB Entry DOI: 10.7270/Q2JS9QTC
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 [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
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 0.0460n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at ERalpha expressed in HEK cells co-expressing beta-lactamase after 18 hrs by beta-lactamase reporter gene assay

Bioorg Med Chem Lett 21: 5680-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.041
BindingDB Entry DOI: 10.7270/Q2JS9QTC
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50354953
PNG
(CHEMBL1836903)
Show SMILES CN(CC(C)(O)c1ccccc1)S(=O)(=O)c1ccc(O)cc1
Show InChI InChI=1S/C16H19NO4S/c1-16(19,13-6-4-3-5-7-13)12-17(2)22(20,21)15-10-8-14(18)9-11-15/h3-11,18-19H,12H2,1-2H3
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n/an/an/an/a 1.10E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at ERbeta expressed in UAS cells co-expressing beta-lactamase after 18 hrs by beta-lactamase reporter gene assay

Bioorg Med Chem Lett 21: 5680-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.041
BindingDB Entry DOI: 10.7270/Q2JS9QTC
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50354955
PNG
(CHEMBL1836905)
Show SMILES CCCCN(CC(C)(O)c1ccccc1)S(=O)(=O)c1ccc(O)cc1
Show InChI InChI=1S/C19H25NO4S/c1-3-4-14-20(15-19(2,22)16-8-6-5-7-9-16)25(23,24)18-12-10-17(21)11-13-18/h5-13,21-22H,3-4,14-15H2,1-2H3
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n/an/an/an/a>1.10E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at ERalpha expressed in HEK cells co-expressing beta-lactamase after 18 hrs by beta-lactamase reporter gene assay

Bioorg Med Chem Lett 21: 5680-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.041
BindingDB Entry DOI: 10.7270/Q2JS9QTC
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50354962
PNG
(CHEMBL1836912)
Show SMILES CC(O)(CN(C1CC1)S(=O)(=O)c1ccc(O)cc1)c1c(F)cccc1F
Show InChI InChI=1S/C18H19F2NO4S/c1-18(23,17-15(19)3-2-4-16(17)20)11-21(12-5-6-12)26(24,25)14-9-7-13(22)8-10-14/h2-4,7-10,12,22-23H,5-6,11H2,1H3
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n/an/an/an/a 3.80E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at ERalpha expressed in HEK cells co-expressing beta-lactamase after 18 hrs by beta-lactamase reporter gene assay

Bioorg Med Chem Lett 21: 5680-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.041
BindingDB Entry DOI: 10.7270/Q2JS9QTC
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50354950
PNG
(CHEMBL1836900)
Show SMILES Oc1ccc(cc1)N(CCC(F)(F)F)S(=O)(=O)c1ccc(O)cc1
Show InChI InChI=1S/C15H14F3NO4S/c16-15(17,18)9-10-19(11-1-3-12(20)4-2-11)24(22,23)14-7-5-13(21)6-8-14/h1-8,20-21H,9-10H2
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n/an/an/an/a 357n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at ERalpha expressed in HEK cells co-expressing beta-lactamase after 18 hrs by beta-lactamase reporter gene assay

Bioorg Med Chem Lett 21: 5680-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.041
BindingDB Entry DOI: 10.7270/Q2JS9QTC
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50354958
PNG
(CHEMBL1836908)
Show SMILES C[C@@](O)(CN(C1CC1)S(=O)(=O)c1ccc(O)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C18H21NO4S/c1-18(21,14-5-3-2-4-6-14)13-19(15-7-8-15)24(22,23)17-11-9-16(20)10-12-17/h2-6,9-12,15,20-21H,7-8,13H2,1H3/t18-/m1/s1
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n/an/an/an/a 110n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at ERbeta expressed in UAS cells co-expressing beta-lactamase after 18 hrs by beta-lactamase reporter gene assay

Bioorg Med Chem Lett 21: 5680-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.041
BindingDB Entry DOI: 10.7270/Q2JS9QTC
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50354956
PNG
(CHEMBL1836906)
Show SMILES CC(O)(CN(C1CC1)S(=O)(=O)c1ccc(O)cc1)c1ccccc1
Show InChI InChI=1S/C18H21NO4S/c1-18(21,14-5-3-2-4-6-14)13-19(15-7-8-15)24(22,23)17-11-9-16(20)10-12-17/h2-6,9-12,15,20-21H,7-8,13H2,1H3
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n/an/an/an/a 2.31E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at ERalpha expressed in HEK cells co-expressing beta-lactamase after 18 hrs by beta-lactamase reporter gene assay

Bioorg Med Chem Lett 21: 5680-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.041
BindingDB Entry DOI: 10.7270/Q2JS9QTC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%