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Compile Data Set for Download or QSAR

Found 96 hits with Last Name = 'o''boyle' and Initial = 'nm'   
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 beta


(Homo sapiens (Human))		BDBM50459859
PNG
(CHEMBL4228617)
Show SMILES OC(=O)\C=C\C=C\c1ccc(cc1)C1=C(CCOc2cc(F)ccc12)c1ccc(O)cc1 |t:14|
Show InChI InChI=1S/C27H21FO4/c28-21-11-14-24-25(17-21)32-16-15-23(19-9-12-22(29)13-10-19)27(24)20-7-5-18(6-8-20)3-1-2-4-26(30)31/h1-14,17,29H,15-16H2,(H,30,31)/b3-1+,4-2+
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n/an/a 0.550n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled estradiol (fluoromone) from human recombinant full-length estrogen receptor beta after 2 hrs by fluorescence pola...

J Med Chem 61: 514-534 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01917
BindingDB Entry DOI: 10.7270/Q20K2C6G
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50459856
PNG
(CHEMBL4227113)
Show SMILES Oc1ccc(cc1)C1=C(c2ccc(\C=C\C(=O)Nc3ccccc3)cc2)c2ccc(F)cc2OCC1 |c:8|
Show InChI InChI=1S/C31H24FNO3/c32-24-13-16-28-29(20-24)36-19-18-27(22-11-14-26(34)15-12-22)31(28)23-9-6-21(7-10-23)8-17-30(35)33-25-4-2-1-3-5-25/h1-17,20,34H,18-19H2,(H,33,35)/b17-8+
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n/an/a 0.940n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled estradiol (fluoromone) from human recombinant full-length estrogen receptor beta after 2 hrs by fluorescence pola...

J Med Chem 61: 514-534 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01917
BindingDB Entry DOI: 10.7270/Q20K2C6G
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50459863
PNG
(CHEMBL4225078)
Show SMILES OC(=O)CCCOc1ccc(cc1)C1=C(CCOc2cc(F)ccc12)c1ccc(O)cc1 |t:14|
Show InChI InChI=1S/C26H23FO5/c27-19-7-12-23-24(16-19)32-15-13-22(17-3-8-20(28)9-4-17)26(23)18-5-10-21(11-6-18)31-14-1-2-25(29)30/h3-12,16,28H,1-2,13-15H2,(H,29,30)
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n/an/a 1.20n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled estradiol (fluoromone) from human recombinant full-length estrogen receptor beta after 2 hrs by fluorescence pola...

J Med Chem 61: 514-534 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01917
BindingDB Entry DOI: 10.7270/Q20K2C6G
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50459852
PNG
(CHEMBL4228923)
Show SMILES Oc1ccc(cc1)C1=C(c2ccc(\C=C\C(=O)N3CCCC3)cc2)c2ccc(F)cc2OCC1 |c:8|
Show InChI InChI=1S/C29H26FNO3/c30-23-10-13-26-27(19-23)34-18-15-25(21-8-11-24(32)12-9-21)29(26)22-6-3-20(4-7-22)5-14-28(33)31-16-1-2-17-31/h3-14,19,32H,1-2,15-18H2/b14-5+
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n/an/a 2.40n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled estradiol (fluoromone) from human recombinant full-length estrogen receptor beta after 2 hrs by fluorescence pola...

J Med Chem 61: 514-534 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01917
BindingDB Entry DOI: 10.7270/Q20K2C6G
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50459850
PNG
(CHEMBL4224880)
Show SMILES OC(=O)\C=C\c1ccc(cc1)C1=C(CCSc2cc(F)ccc12)c1ccc(O)cc1 |t:12|
Show InChI InChI=1S/C25H19FO3S/c26-19-8-11-22-23(15-19)30-14-13-21(17-6-9-20(27)10-7-17)25(22)18-4-1-16(2-5-18)3-12-24(28)29/h1-12,15,27H,13-14H2,(H,28,29)/b12-3+
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n/an/a 3.10n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled estradiol (fluoromone) from human recombinant full-length estrogen receptor beta after 2 hrs by fluorescence pola...

J Med Chem 61: 514-534 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01917
BindingDB Entry DOI: 10.7270/Q20K2C6G
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50459850
PNG
(CHEMBL4224880)
Show SMILES OC(=O)\C=C\c1ccc(cc1)C1=C(CCSc2cc(F)ccc12)c1ccc(O)cc1 |t:12|
Show InChI InChI=1S/C25H19FO3S/c26-19-8-11-22-23(15-19)30-14-13-21(17-6-9-20(27)10-7-17)25(22)18-4-1-16(2-5-18)3-12-24(28)29/h1-12,15,27H,13-14H2,(H,28,29)/b12-3+
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n/an/a 4.10n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled estradiol (fluoromone) from human recombinant full-length estrogen receptor alpha after 2 hrs by fluorescence pol...

J Med Chem 61: 514-534 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01917
BindingDB Entry DOI: 10.7270/Q20K2C6G
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50238736
PNG
(CHEMBL1091535 | GW7604)
Show SMILES CCC(=C(c1ccc(O)cc1)c1ccc(\C=C\C(O)=O)cc1)c1ccccc1
Show InChI InChI=1S/C25H22O3/c1-2-23(19-6-4-3-5-7-19)25(21-13-15-22(26)16-14-21)20-11-8-18(9-12-20)10-17-24(27)28/h3-17,26H,2H2,1H3,(H,27,28)/b17-10+,25-23+
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n/an/a 4.40n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled estradiol (fluoromone) from human recombinant full-length estrogen receptor alpha after 2 hrs by fluorescence pol...

J Med Chem 61: 514-534 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01917
BindingDB Entry DOI: 10.7270/Q20K2C6G
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/a 5.60n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled estrogen from human recombinant ERbeta by fluorescence polarization based competitive binding affinity assay

J Med Chem 57: 9370-82 (2014)


Article DOI: 10.1021/jm500670d
BindingDB Entry DOI: 10.7270/Q2BR8TSK
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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/a 5.60n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of Fluormone ES2 Green from full-length estrogen receptor beta (unknown origin) after 2 hrs by fluorescence polarization assay

J Med Chem 61: 514-534 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01917
BindingDB Entry DOI: 10.7270/Q20K2C6G
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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/a 5.70n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled estrogen from human recombinant ERalpha by fluorescence polarization based competitive binding affinity assay

J Med Chem 57: 9370-82 (2014)


Article DOI: 10.1021/jm500670d
BindingDB Entry DOI: 10.7270/Q2BR8TSK
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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/a 5.70n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of Fluormone ES2 Green from full-length estrogen receptor alpha (unknown origin) after 2 hrs by fluorescence polarization assay

J Med Chem 61: 514-534 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01917
BindingDB Entry DOI: 10.7270/Q20K2C6G
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50238736
PNG
(CHEMBL1091535 | GW7604)
Show SMILES CCC(=C(c1ccc(O)cc1)c1ccc(\C=C\C(O)=O)cc1)c1ccccc1
Show InChI InChI=1S/C25H22O3/c1-2-23(19-6-4-3-5-7-19)25(21-13-15-22(26)16-14-21)20-11-8-18(9-12-20)10-17-24(27)28/h3-17,26H,2H2,1H3,(H,27,28)/b17-10+,25-23+
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n/an/a 6.80n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled estradiol (fluoromone) from human recombinant full-length estrogen receptor beta after 2 hrs by fluorescence pola...

J Med Chem 61: 514-534 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01917
BindingDB Entry DOI: 10.7270/Q20K2C6G
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50031809
PNG
(CHEMBL3360850)
Show SMILES [H][C@]1(C(O)c2ccc(O)cc2)[C@@H](N(C1=O)c1cc(OC)c(OC)c(OC)c1)c1ccc(OC)cc1 |r|
Show InChI InChI=1S/C26H27NO7/c1-31-19-11-7-15(8-12-19)23-22(24(29)16-5-9-18(28)10-6-16)26(30)27(23)17-13-20(32-2)25(34-4)21(14-17)33-3/h5-14,22-24,28-29H,1-4H3/t22-,23+,24?/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled estrogen from human recombinant ERalpha by fluorescence polarization based competitive binding affinity assay

J Med Chem 57: 9370-82 (2014)


Article DOI: 10.1021/jm500670d
BindingDB Entry DOI: 10.7270/Q2BR8TSK
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50459858
PNG
(CHEMBL4225156)
Show SMILES CCN(CC)C(=O)\C=C\c1ccc(cc1)C1=C(CCOc2cc(F)ccc12)c1ccc(O)cc1 |t:16|
Show InChI InChI=1S/C29H28FNO3/c1-3-31(4-2)28(33)16-7-20-5-8-22(9-6-20)29-25(21-10-13-24(32)14-11-21)17-18-34-27-19-23(30)12-15-26(27)29/h5-16,19,32H,3-4,17-18H2,1-2H3/b16-7+
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n/an/a 9.80n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Antagonist activity at estrogen receptor alpha/beta in human Ishikawa cells after 72 hrs by alkaline phosphatase assay

J Med Chem 61: 514-534 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01917
BindingDB Entry DOI: 10.7270/Q20K2C6G
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50276802
PNG
(4-OHT | Afimoxifene | TamoGel)
Show SMILES CCC(=C(c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
Show InChI InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-
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n/an/a 10n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Antagonist activity at estrogen receptor alpha/beta in human Ishikawa cells after 72 hrs by alkaline phosphatase assay

J Med Chem 61: 514-534 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01917
BindingDB Entry DOI: 10.7270/Q20K2C6G
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50459856
PNG
(CHEMBL4227113)
Show SMILES Oc1ccc(cc1)C1=C(c2ccc(\C=C\C(=O)Nc3ccccc3)cc2)c2ccc(F)cc2OCC1 |c:8|
Show InChI InChI=1S/C31H24FNO3/c32-24-13-16-28-29(20-24)36-19-18-27(22-11-14-26(34)15-12-22)31(28)23-9-6-21(7-10-23)8-17-30(35)33-25-4-2-1-3-5-25/h1-17,20,34H,18-19H2,(H,33,35)/b17-8+
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n/an/a 12n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled estradiol (fluoromone) from human recombinant full-length estrogen receptor alpha after 2 hrs by fluorescence pol...

J Med Chem 61: 514-534 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01917
BindingDB Entry DOI: 10.7270/Q20K2C6G
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50459854
PNG
(CHEMBL4225102)
Show SMILES Oc1ccc(cc1)C1=C(c2ccc(\C=C\C(=O)N3CCNCC3)cc2)c2ccc(F)cc2OCC1 |c:8|
Show InChI InChI=1S/C29H27FN2O3/c30-23-8-11-26-27(19-23)35-18-13-25(21-6-9-24(33)10-7-21)29(26)22-4-1-20(2-5-22)3-12-28(34)32-16-14-31-15-17-32/h1-12,19,31,33H,13-18H2/b12-3+
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n/an/a 14n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled estradiol (fluoromone) from human recombinant full-length estrogen receptor alpha after 2 hrs by fluorescence pol...

J Med Chem 61: 514-534 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01917
BindingDB Entry DOI: 10.7270/Q20K2C6G
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50459860
PNG
(CHEMBL4228649)
Show SMILES OC(=O)\C=C\c1ccc(cc1)C1=C(CCOc2cc(F)ccc12)c1ccc(O)cc1 |t:12|
Show InChI InChI=1S/C25H19FO4/c26-19-8-11-22-23(15-19)30-14-13-21(17-6-9-20(27)10-7-17)25(22)18-4-1-16(2-5-18)3-12-24(28)29/h1-12,15,27H,13-14H2,(H,28,29)/b12-3+
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n/an/a 14n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled estradiol (fluoromone) from human recombinant full-length estrogen receptor alpha after 2 hrs by fluorescence pol...

J Med Chem 61: 514-534 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01917
BindingDB Entry DOI: 10.7270/Q20K2C6G
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50031809
PNG
(CHEMBL3360850)
Show SMILES [H][C@]1(C(O)c2ccc(O)cc2)[C@@H](N(C1=O)c1cc(OC)c(OC)c(OC)c1)c1ccc(OC)cc1 |r|
Show InChI InChI=1S/C26H27NO7/c1-31-19-11-7-15(8-12-19)23-22(24(29)16-5-9-18(28)10-6-16)26(30)27(23)17-13-20(32-2)25(34-4)21(14-17)33-3/h5-14,22-24,28-29H,1-4H3/t22-,23+,24?/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled estrogen from human recombinant ERbeta by fluorescence polarization based competitive binding affinity assay

J Med Chem 57: 9370-82 (2014)


Article DOI: 10.1021/jm500670d
BindingDB Entry DOI: 10.7270/Q2BR8TSK
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50031813
PNG
(CHEMBL3360847)
Show SMILES Oc1ccc(cc1)[C@@H]1N(C(=O)C1(c1ccccc1)c1ccccc1)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C27H21NO3/c29-23-15-11-19(12-16-23)25-27(20-7-3-1-4-8-20,21-9-5-2-6-10-21)26(31)28(25)22-13-17-24(30)18-14-22/h1-18,25,29-30H/t25-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled estrogen from human recombinant ERbeta by fluorescence polarization based competitive binding affinity assay

J Med Chem 57: 9370-82 (2014)


Article DOI: 10.1021/jm500670d
BindingDB Entry DOI: 10.7270/Q2BR8TSK
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50459862
PNG
(CHEMBL4228388)
Show SMILES OC(=O)\C=C\c1ccc(cc1)C1=C(CCOc2ccccc12)c1ccc(O)cc1 |t:12|
Show InChI InChI=1S/C25H20O4/c26-20-12-10-18(11-13-20)21-15-16-29-23-4-2-1-3-22(23)25(21)19-8-5-17(6-9-19)7-14-24(27)28/h1-14,26H,15-16H2,(H,27,28)/b14-7+
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n/an/a 21n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled estradiol (fluoromone) from human recombinant full-length estrogen receptor alpha after 2 hrs by fluorescence pol...

J Med Chem 61: 514-534 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01917
BindingDB Entry DOI: 10.7270/Q20K2C6G
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50459849
PNG
(CHEMBL4229221)
Show SMILES COc1ccc2c(OCCC(c3ccc(O)cc3)=C2c2ccc(\C=C\C(O)=O)cc2)c1 |c:18|
Show InChI InChI=1S/C26H22O5/c1-30-21-11-12-23-24(16-21)31-15-14-22(18-7-9-20(27)10-8-18)26(23)19-5-2-17(3-6-19)4-13-25(28)29/h2-13,16,27H,14-15H2,1H3,(H,28,29)/b13-4+
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n/an/a 23n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled estradiol (fluoromone) from human recombinant full-length estrogen receptor alpha after 2 hrs by fluorescence pol...

J Med Chem 61: 514-534 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01917
BindingDB Entry DOI: 10.7270/Q20K2C6G
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50459854
PNG
(CHEMBL4225102)
Show SMILES Oc1ccc(cc1)C1=C(c2ccc(\C=C\C(=O)N3CCNCC3)cc2)c2ccc(F)cc2OCC1 |c:8|
Show InChI InChI=1S/C29H27FN2O3/c30-23-8-11-26-27(19-23)35-18-13-25(21-6-9-24(33)10-7-21)29(26)22-4-1-20(2-5-22)3-12-28(34)32-16-14-31-15-17-32/h1-12,19,31,33H,13-18H2/b12-3+
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n/an/a 25n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled estradiol (fluoromone) from human recombinant full-length estrogen receptor beta after 2 hrs by fluorescence pola...

J Med Chem 61: 514-534 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01917
BindingDB Entry DOI: 10.7270/Q20K2C6G
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50276802
PNG
(4-OHT | Afimoxifene | TamoGel)
Show SMILES CCC(=C(c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
Show InChI InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-
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n/an/a 26n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled estradiol (fluoromone) from human recombinant full-length estrogen receptor alpha after 2 hrs by fluorescence pol...

J Med Chem 61: 514-534 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01917
BindingDB Entry DOI: 10.7270/Q20K2C6G
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50276802
PNG
(4-OHT | Afimoxifene | TamoGel)
Show SMILES CCC(=C(c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
Show InChI InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-
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n/an/a 26n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled estradiol (fluoromone) from human recombinant full-length estrogen receptor beta after 2 hrs by fluorescence pola...

J Med Chem 61: 514-534 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01917
BindingDB Entry DOI: 10.7270/Q20K2C6G
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50459857
PNG
(CHEMBL4225690)
Show SMILES OC(=O)COc1ccc(cc1)C1=C(CCOc2cc(F)ccc12)c1ccc(O)cc1 |t:12|
Show InChI InChI=1S/C24H19FO5/c25-17-5-10-21-22(13-17)29-12-11-20(15-1-6-18(26)7-2-15)24(21)16-3-8-19(9-4-16)30-14-23(27)28/h1-10,13,26H,11-12,14H2,(H,27,28)
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n/an/a 34n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled estradiol (fluoromone) from human recombinant full-length estrogen receptor beta after 2 hrs by fluorescence pola...

J Med Chem 61: 514-534 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01917
BindingDB Entry DOI: 10.7270/Q20K2C6G
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50031813
PNG
(CHEMBL3360847)
Show SMILES Oc1ccc(cc1)[C@@H]1N(C(=O)C1(c1ccccc1)c1ccccc1)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C27H21NO3/c29-23-15-11-19(12-16-23)25-27(20-7-3-1-4-8-20,21-9-5-2-6-10-21)26(31)28(25)22-13-17-24(30)18-14-22/h1-18,25,29-30H/t25-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled estrogen from human recombinant ERalpha by fluorescence polarization based competitive binding affinity assay

J Med Chem 57: 9370-82 (2014)


Article DOI: 10.1021/jm500670d
BindingDB Entry DOI: 10.7270/Q2BR8TSK
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50459858
PNG
(CHEMBL4225156)
Show SMILES CCN(CC)C(=O)\C=C\c1ccc(cc1)C1=C(CCOc2cc(F)ccc12)c1ccc(O)cc1 |t:16|
Show InChI InChI=1S/C29H28FNO3/c1-3-31(4-2)28(33)16-7-20-5-8-22(9-6-20)29-25(21-10-13-24(32)14-11-21)17-18-34-27-19-23(30)12-15-26(27)29/h5-16,19,32H,3-4,17-18H2,1-2H3/b16-7+
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n/an/a 43n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled estradiol (fluoromone) from human recombinant full-length estrogen receptor beta after 2 hrs by fluorescence pola...

J Med Chem 61: 514-534 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01917
BindingDB Entry DOI: 10.7270/Q20K2C6G
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50459862
PNG
(CHEMBL4228388)
Show SMILES OC(=O)\C=C\c1ccc(cc1)C1=C(CCOc2ccccc12)c1ccc(O)cc1 |t:12|
Show InChI InChI=1S/C25H20O4/c26-20-12-10-18(11-13-20)21-15-16-29-23-4-2-1-3-22(23)25(21)19-8-5-17(6-9-19)7-14-24(27)28/h1-14,26H,15-16H2,(H,27,28)/b14-7+
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n/an/a 46n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled estradiol (fluoromone) from human recombinant full-length estrogen receptor beta after 2 hrs by fluorescence pola...

J Med Chem 61: 514-534 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01917
BindingDB Entry DOI: 10.7270/Q20K2C6G
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50459847
PNG
(CHEMBL4228974)
Show SMILES Cc1ccc(cc1)N1CCN(CC1)C(=O)\C=C\c1ccc(cc1)C1=C(CCOc2cc(F)ccc12)c1ccc(O)cc1 |t:26|
Show InChI InChI=1S/C36H33FN2O3/c1-25-2-12-30(13-3-25)38-19-21-39(22-20-38)35(41)17-6-26-4-7-28(8-5-26)36-32(27-9-14-31(40)15-10-27)18-23-42-34-24-29(37)11-16-33(34)36/h2-17,24,40H,18-23H2,1H3/b17-6+
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n/an/a 48n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled estradiol (fluoromone) from human recombinant full-length estrogen receptor alpha after 2 hrs by fluorescence pol...

J Med Chem 61: 514-534 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01917
BindingDB Entry DOI: 10.7270/Q20K2C6G
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50459861
PNG
(CHEMBL4225680)
Show SMILES CN1CCN(CC1)C(=O)\C=C\c1ccc(cc1)C1=C(CCOc2cc(F)ccc12)c1ccc(O)cc1 |t:19|
Show InChI InChI=1S/C30H29FN2O3/c1-32-15-17-33(18-16-32)29(35)13-4-21-2-5-23(6-3-21)30-26(22-7-10-25(34)11-8-22)14-19-36-28-20-24(31)9-12-27(28)30/h2-13,20,34H,14-19H2,1H3/b13-4+
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n/an/a 57n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled estradiol (fluoromone) from human recombinant full-length estrogen receptor alpha after 2 hrs by fluorescence pol...

J Med Chem 61: 514-534 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01917
BindingDB Entry DOI: 10.7270/Q20K2C6G
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50459846
PNG
(CHEMBL4227881)
Show SMILES CC(=O)\C=C\c1ccc(cc1)C1=C(CCOc2cc(F)ccc12)c1ccc(O)cc1 |t:12|
Show InChI InChI=1S/C26H21FO3/c1-17(28)2-3-18-4-6-20(7-5-18)26-23(19-8-11-22(29)12-9-19)14-15-30-25-16-21(27)10-13-24(25)26/h2-13,16,29H,14-15H2,1H3/b3-2+
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n/an/a 59n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled estradiol (fluoromone) from human recombinant full-length estrogen receptor alpha after 2 hrs by fluorescence pol...

J Med Chem 61: 514-534 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01917
BindingDB Entry DOI: 10.7270/Q20K2C6G
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM20607
PNG
((2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethy...)
Show SMILES CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
Show InChI InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-
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n/an/a 61n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled estrogen from human recombinant ERalpha by fluorescence polarization based competitive binding affinity assay

J Med Chem 57: 9370-82 (2014)


Article DOI: 10.1021/jm500670d
BindingDB Entry DOI: 10.7270/Q2BR8TSK
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM20607
PNG
((2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethy...)
Show SMILES CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
Show InChI InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-
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n/an/a 61n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled estradiol (fluoromone) from human recombinant full-length untagged estrogen receptor alpha expressed in Spodopter...

J Med Chem 61: 514-534 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01917
BindingDB Entry DOI: 10.7270/Q20K2C6G
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM20607
PNG
((2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethy...)
Show SMILES CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
Show InChI InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-
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n/an/a 61n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Binding affinity to human ERalpha

J Med Chem 57: 9370-82 (2014)


Article DOI: 10.1021/jm500670d
BindingDB Entry DOI: 10.7270/Q2BR8TSK
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50459852
PNG
(CHEMBL4228923)
Show SMILES Oc1ccc(cc1)C1=C(c2ccc(\C=C\C(=O)N3CCCC3)cc2)c2ccc(F)cc2OCC1 |c:8|
Show InChI InChI=1S/C29H26FNO3/c30-23-10-13-26-27(19-23)34-18-15-25(21-8-11-24(32)12-9-21)29(26)22-6-3-20(4-7-22)5-14-28(33)31-16-1-2-17-31/h3-14,19,32H,1-2,15-18H2/b14-5+
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n/an/a 67n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled estradiol (fluoromone) from human recombinant full-length estrogen receptor alpha after 2 hrs by fluorescence pol...

J Med Chem 61: 514-534 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01917
BindingDB Entry DOI: 10.7270/Q20K2C6G
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM20607
PNG
((2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethy...)
Show SMILES CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
Show InChI InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-
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n/an/a 70n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled estradiol (fluoromone) from human recombinant full-length estrogen receptor alpha after 2 hrs by fluorescence pol...

J Med Chem 61: 514-534 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01917
BindingDB Entry DOI: 10.7270/Q20K2C6G
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50459860
PNG
(CHEMBL4228649)
Show SMILES OC(=O)\C=C\c1ccc(cc1)C1=C(CCOc2cc(F)ccc12)c1ccc(O)cc1 |t:12|
Show InChI InChI=1S/C25H19FO4/c26-19-8-11-22-23(15-19)30-14-13-21(17-6-9-20(27)10-7-17)25(22)18-4-1-16(2-5-18)3-12-24(28)29/h1-12,15,27H,13-14H2,(H,28,29)/b12-3+
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n/an/a 72n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled estradiol (fluoromone) from human recombinant full-length estrogen receptor beta after 2 hrs by fluorescence pola...

J Med Chem 61: 514-534 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01917
BindingDB Entry DOI: 10.7270/Q20K2C6G
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50459859
PNG
(CHEMBL4228617)
Show SMILES OC(=O)\C=C\C=C\c1ccc(cc1)C1=C(CCOc2cc(F)ccc12)c1ccc(O)cc1 |t:14|
Show InChI InChI=1S/C27H21FO4/c28-21-11-14-24-25(17-21)32-16-15-23(19-9-12-22(29)13-10-19)27(24)20-7-5-18(6-8-20)3-1-2-4-26(30)31/h1-14,17,29H,15-16H2,(H,30,31)/b3-1+,4-2+
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n/an/a 72n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled estradiol (fluoromone) from human recombinant full-length estrogen receptor alpha after 2 hrs by fluorescence pol...

J Med Chem 61: 514-534 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01917
BindingDB Entry DOI: 10.7270/Q20K2C6G
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50459855
PNG
(CHEMBL4224834)
Show SMILES Oc1ccc(cc1)C1=C(c2ccc(\C=C\C(=O)N3CCN(Cc4ccccc4)CC3)cc2)c2ccc(F)cc2OCC1 |c:8|
Show InChI InChI=1S/C36H33FN2O3/c37-30-13-16-33-34(24-30)42-23-18-32(28-11-14-31(40)15-12-28)36(33)29-9-6-26(7-10-29)8-17-35(41)39-21-19-38(20-22-39)25-27-4-2-1-3-5-27/h1-17,24,40H,18-23,25H2/b17-8+
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n/an/a 72n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled estradiol (fluoromone) from human recombinant full-length estrogen receptor beta after 2 hrs by fluorescence pola...

J Med Chem 61: 514-534 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01917
BindingDB Entry DOI: 10.7270/Q20K2C6G
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50459855
PNG
(CHEMBL4224834)
Show SMILES Oc1ccc(cc1)C1=C(c2ccc(\C=C\C(=O)N3CCN(Cc4ccccc4)CC3)cc2)c2ccc(F)cc2OCC1 |c:8|
Show InChI InChI=1S/C36H33FN2O3/c37-30-13-16-33-34(24-30)42-23-18-32(28-11-14-31(40)15-12-28)36(33)29-9-6-26(7-10-29)8-17-35(41)39-21-19-38(20-22-39)25-27-4-2-1-3-5-27/h1-17,24,40H,18-23,25H2/b17-8+
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n/an/a 74n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled estradiol (fluoromone) from human recombinant full-length estrogen receptor alpha after 2 hrs by fluorescence pol...

J Med Chem 61: 514-534 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01917
BindingDB Entry DOI: 10.7270/Q20K2C6G
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50459865
PNG
(CHEMBL4225431)
Show SMILES Oc1ccc(cc1)C1=C(c2ccc(\C=C\C(=O)c3ccccc3)cc2)c2ccc(F)cc2OCC1 |c:8|
Show InChI InChI=1S/C31H23FO3/c32-25-13-16-28-30(20-25)35-19-18-27(22-11-14-26(33)15-12-22)31(28)24-9-6-21(7-10-24)8-17-29(34)23-4-2-1-3-5-23/h1-17,20,33H,18-19H2/b17-8+
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n/an/a 104n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled estradiol (fluoromone) from human recombinant full-length estrogen receptor alpha after 2 hrs by fluorescence pol...

J Med Chem 61: 514-534 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01917
BindingDB Entry DOI: 10.7270/Q20K2C6G
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50459849
PNG
(CHEMBL4229221)
Show SMILES COc1ccc2c(OCCC(c3ccc(O)cc3)=C2c2ccc(\C=C\C(O)=O)cc2)c1 |c:18|
Show InChI InChI=1S/C26H22O5/c1-30-21-11-12-23-24(16-21)31-15-14-22(18-7-9-20(27)10-8-18)26(23)19-5-2-17(3-6-19)4-13-25(28)29/h2-13,16,27H,14-15H2,1H3,(H,28,29)/b13-4+
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n/an/a 119n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled estradiol (fluoromone) from human recombinant full-length estrogen receptor beta after 2 hrs by fluorescence pola...

J Med Chem 61: 514-534 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01917
BindingDB Entry DOI: 10.7270/Q20K2C6G
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50031811
PNG
(CHEMBL3360845)
Show SMILES Oc1ccc(cc1)[C@H]1[C@H](Oc2ccccc2)C(=O)N1c1ccc(O)cc1 |r|
Show InChI InChI=1S/C21H17NO4/c23-16-10-6-14(7-11-16)19-20(26-18-4-2-1-3-5-18)21(25)22(19)15-8-12-17(24)13-9-15/h1-13,19-20,23-24H/t19-,20-/m0/s1
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n/an/a 140n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled estrogen from human recombinant ERalpha by fluorescence polarization based competitive binding affinity assay

J Med Chem 57: 9370-82 (2014)


Article DOI: 10.1021/jm500670d
BindingDB Entry DOI: 10.7270/Q2BR8TSK
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50459863
PNG
(CHEMBL4225078)
Show SMILES OC(=O)CCCOc1ccc(cc1)C1=C(CCOc2cc(F)ccc12)c1ccc(O)cc1 |t:14|
Show InChI InChI=1S/C26H23FO5/c27-19-7-12-23-24(16-19)32-15-13-22(17-3-8-20(28)9-4-17)26(23)18-5-10-21(11-6-18)31-14-1-2-25(29)30/h3-12,16,28H,1-2,13-15H2,(H,29,30)
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n/an/a 147n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled estradiol (fluoromone) from human recombinant full-length estrogen receptor alpha after 2 hrs by fluorescence pol...

J Med Chem 61: 514-534 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01917
BindingDB Entry DOI: 10.7270/Q20K2C6G
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50031812
PNG
(CHEMBL3360846)
Show SMILES Oc1ccc(cc1)[C@H]1[C@@H](C(=O)N1c1ccc(O)cc1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C25H19NO3/c27-21-11-7-17(8-12-21)24-23(19-6-5-16-3-1-2-4-18(16)15-19)25(29)26(24)20-9-13-22(28)14-10-20/h1-15,23-24,27-28H/t23-,24-/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled estrogen from human recombinant ERalpha by fluorescence polarization based competitive binding affinity assay

J Med Chem 57: 9370-82 (2014)


Article DOI: 10.1021/jm500670d
BindingDB Entry DOI: 10.7270/Q2BR8TSK
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM20607
PNG
((2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethy...)
Show SMILES CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
Show InChI InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-
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n/an/a 170n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled estradiol (fluoromone) from human recombinant full-length estrogen receptor beta after 2 hrs by fluorescence pola...

J Med Chem 61: 514-534 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01917
BindingDB Entry DOI: 10.7270/Q20K2C6G
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50459846
PNG
(CHEMBL4227881)
Show SMILES CC(=O)\C=C\c1ccc(cc1)C1=C(CCOc2cc(F)ccc12)c1ccc(O)cc1 |t:12|
Show InChI InChI=1S/C26H21FO3/c1-17(28)2-3-18-4-6-20(7-5-18)26-23(19-8-11-22(29)12-9-19)14-15-30-25-16-21(27)10-13-24(25)26/h2-13,16,29H,14-15H2,1H3/b3-2+
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n/an/a 175n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled estradiol (fluoromone) from human recombinant full-length estrogen receptor beta after 2 hrs by fluorescence pola...

J Med Chem 61: 514-534 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01917
BindingDB Entry DOI: 10.7270/Q20K2C6G
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50459850
PNG
(CHEMBL4224880)
Show SMILES OC(=O)\C=C\c1ccc(cc1)C1=C(CCSc2cc(F)ccc12)c1ccc(O)cc1 |t:12|
Show InChI InChI=1S/C25H19FO3S/c26-19-8-11-22-23(15-19)30-14-13-21(17-6-9-20(27)10-7-17)25(22)18-4-1-16(2-5-18)3-12-24(28)29/h1-12,15,27H,13-14H2,(H,28,29)/b12-3+
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n/an/a 180n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Antagonist activity at estrogen receptor alpha/beta in human Ishikawa cells after 72 hrs by alkaline phosphatase assay

J Med Chem 61: 514-534 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01917
BindingDB Entry DOI: 10.7270/Q20K2C6G
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM20607
PNG
((2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethy...)
Show SMILES CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
Show InChI InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-
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n/an/a 188n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled estradiol (fluoromone) from human recombinant full-length untagged estrogen receptor beta expressed in insect cel...

J Med Chem 61: 514-534 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01917
BindingDB Entry DOI: 10.7270/Q20K2C6G
More data for this
Ligand-Target Pair
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