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PubMed code 16632357

Compile data set for download or QSAR
Found 89 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 beta


(Homo sapiens (Human))		BDBM50185859
PNG
(9a-butyl-7-hydroxy-4-phenyl-1,2,9,9a-tetrahydroflu...)
Show SMILES CCCCC12Cc3cc(O)ccc3C1=C(C(=O)CC2)c1ccccc1 |c:15|
Show InChI InChI=1S/C23H24O2/c1-2-3-12-23-13-11-20(25)21(16-7-5-4-6-8-16)22(23)19-10-9-18(24)14-17(19)15-23/h4-10,14,24H,2-3,11-13,15H2,1H3
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n/an/a 1.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
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 1.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50185836
PNG
(9a-butyl-7-hydroxy-4-iodo-1,2,9,9a-tetrahydrofluor...)
Show SMILES CCCCC12Cc3cc(O)ccc3C1=C(I)C(=O)CC2 |t:15|
Show InChI InChI=1S/C17H19IO2/c1-2-3-7-17-8-6-14(20)16(18)15(17)13-5-4-12(19)9-11(13)10-17/h4-5,9,19H,2-3,6-8,10H2,1H3
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n/an/a 1.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
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/a 1.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERalpha by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50185867
PNG
(9a-butyl-7-hydroxy-4-(trifluoromethyl)-1,2,9,9a-te...)
Show SMILES CCCCC12Cc3cc(O)ccc3C1=C(C(=O)CC2)C(F)(F)F |c:15|
Show InChI InChI=1S/C18H19F3O2/c1-2-3-7-17-8-6-14(23)16(18(19,20)21)15(17)13-5-4-12(22)9-11(13)10-17/h4-5,9,22H,2-3,6-8,10H2,1H3
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n/an/a 1.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50185849
PNG
((9aS)-4-bromo-9a-butyl-7-hydroxy-1,2,9,9a-tetrahyd...)
Show SMILES CCCC[C@]12Cc3cc(O)ccc3C1=C(Br)C(=O)CC2 |t:15|
Show InChI InChI=1S/C17H19BrO2/c1-2-3-7-17-8-6-14(20)16(18)15(17)13-5-4-12(19)9-11(13)10-17/h4-5,9,19H,2-3,6-8,10H2,1H3/t17-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50185860
PNG
(9a-butyl-7-hydroxy-4-propyl-1,2,9,9a-tetrahydroflu...)
Show SMILES CCCCC12Cc3cc(O)ccc3C1=C(CCC)C(=O)CC2 |t:15|
Show InChI InChI=1S/C20H26O2/c1-3-5-10-20-11-9-18(22)17(6-4-2)19(20)16-8-7-15(21)12-14(16)13-20/h7-8,12,21H,3-6,9-11,13H2,1-2H3
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n/an/a 1.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50185845
PNG
(9a-butyl-7-hydroxy-4-(thiophen-2-yl)-1,2,9,9a-tetr...)
Show SMILES CCCCC12Cc3cc(O)ccc3C1=C(c1cccs1)C(=O)CC2 |t:15|
Show InChI InChI=1S/C21H22O2S/c1-2-3-9-21-10-8-17(23)19(18-5-4-11-24-18)20(21)16-7-6-15(22)12-14(16)13-21/h4-7,11-12,22H,2-3,8-10,13H2,1H3
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n/an/a 1.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50185851
PNG
((R,S)-4-bromo-9a-butyl-7-hydroxy-1,2,9,9a-tetrahyd...)
Show SMILES CCCCC12Cc3cc(O)ccc3C1=C(Br)C(=O)CC2 |t:15|
Show InChI InChI=1S/C17H19BrO2/c1-2-3-7-17-8-6-14(20)16(18)15(17)13-5-4-12(19)9-11(13)10-17/h4-5,9,19H,2-3,6-8,10H2,1H3
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n/an/a 1.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50185859
PNG
(9a-butyl-7-hydroxy-4-phenyl-1,2,9,9a-tetrahydroflu...)
Show SMILES CCCCC12Cc3cc(O)ccc3C1=C(C(=O)CC2)c1ccccc1 |c:15|
Show InChI InChI=1S/C23H24O2/c1-2-3-12-23-13-11-20(25)21(16-7-5-4-6-8-16)22(23)19-10-9-18(24)14-17(19)15-23/h4-10,14,24H,2-3,11-13,15H2,1H3
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n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at human ERbeta transfected in HEK293 cells assessed as transactivation of alkaline phosphatase reporter gene

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50185856
PNG
(4-bromo-7-hydroxy-9a-phenyl-1,2,9,9a-tetrahydroflu...)
Show SMILES Oc1ccc2C3=C(Br)C(=O)CCC3(Cc2c1)c1ccccc1 |c:5|
Show InChI InChI=1S/C19H15BrO2/c20-18-16(22)8-9-19(13-4-2-1-3-5-13)11-12-10-14(21)6-7-15(12)17(18)19/h1-7,10,21H,8-9,11H2
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n/an/a 2.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50185839
PNG
(9a-butyl-4-(furan-2-yl)-7-hydroxy-1,2,9,9a-tetrahy...)
Show SMILES CCCCC12Cc3cc(O)ccc3C1=C(c1ccco1)C(=O)CC2 |t:15|
Show InChI InChI=1S/C21H22O3/c1-2-3-9-21-10-8-17(23)19(18-5-4-11-24-18)20(21)16-7-6-15(22)12-14(16)13-21/h4-7,11-12,22H,2-3,8-10,13H2,1H3
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n/an/a 3.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50185843
PNG
(4-bromo-7-hydroxy-9a-propyl-1,2,9,9a-tetrahydroflu...)
Show SMILES CCCC12Cc3cc(O)ccc3C1=C(Br)C(=O)CC2 |t:14|
Show InChI InChI=1S/C16H17BrO2/c1-2-6-16-7-5-13(19)15(17)14(16)12-4-3-11(18)8-10(12)9-16/h3-4,8,18H,2,5-7,9H2,1H3
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n/an/a 4.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50185855
PNG
(4-bromo-9a-ethyl-7-hydroxy-1,2,9,9a-tetrahydrofluo...)
Show SMILES CCC12Cc3cc(O)ccc3C1=C(Br)C(=O)CC2 |t:13|
Show InChI InChI=1S/C15H15BrO2/c1-2-15-6-5-12(18)14(16)13(15)11-4-3-10(17)7-9(11)8-15/h3-4,7,17H,2,5-6,8H2,1H3
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n/an/a 4.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50185866
PNG
(9a-butyl-4-chloro-7-hydroxy-1,2,9,9a-tetrahydroflu...)
Show SMILES CCCCC12Cc3cc(O)ccc3C1=C(Cl)C(=O)CC2 |t:15|
Show InChI InChI=1S/C17H19ClO2/c1-2-3-7-17-8-6-14(20)16(18)15(17)13-5-4-12(19)9-11(13)10-17/h4-5,9,19H,2-3,6-8,10H2,1H3
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n/an/a 5.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50185845
PNG
(9a-butyl-7-hydroxy-4-(thiophen-2-yl)-1,2,9,9a-tetr...)
Show SMILES CCCCC12Cc3cc(O)ccc3C1=C(c1cccs1)C(=O)CC2 |t:15|
Show InChI InChI=1S/C21H22O2S/c1-2-3-9-21-10-8-17(23)19(18-5-4-11-24-18)20(21)16-7-6-15(22)12-14(16)13-21/h4-7,11-12,22H,2-3,8-10,13H2,1H3
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n/an/a 9n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at human ERbeta transfected in HEK293 cells assessed as transactivation of alkaline phosphatase reporter gene

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50185847
PNG
(7-hydroxy-4-methyl-9a-propyl-1,2,9,9a-tetrahydrofl...)
Show SMILES CCCC12Cc3cc(O)ccc3C1=C(C)C(=O)CC2 |t:14|
Show InChI InChI=1S/C17H20O2/c1-3-7-17-8-6-15(19)11(2)16(17)14-5-4-13(18)9-12(14)10-17/h4-5,9,18H,3,6-8,10H2,1-2H3
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n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50185864
PNG
(9a-butyl-4-ethyl-7-hydroxy-1,2,9,9a-tetrahydrofluo...)
Show SMILES CCCCC12Cc3cc(O)ccc3C1=C(CC)C(=O)CC2 |t:15|
Show InChI InChI=1S/C19H24O2/c1-3-5-9-19-10-8-17(21)15(4-2)18(19)16-7-6-14(20)11-13(16)12-19/h6-7,11,20H,3-5,8-10,12H2,1-2H3
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n/an/a 13n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50185862
PNG
(4-bromo-7-hydroxy-9a-methyl-1,2,9,9a-tetrahydroflu...)
Show SMILES CC12Cc3cc(O)ccc3C1=C(Br)C(=O)CC2 |t:12|
Show InChI InChI=1S/C14H13BrO2/c1-14-5-4-11(17)13(15)12(14)10-3-2-9(16)6-8(10)7-14/h2-3,6,16H,4-5,7H2,1H3
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n/an/a 13.4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50185848
PNG
(7-hydroxy-4-methyl-9a-phenyl-1,2,9,9a-tetrahydrofl...)
Show SMILES CC1=C2c3ccc(O)cc3CC2(CCC1=O)c1ccccc1 |c:1|
Show InChI InChI=1S/C20H18O2/c1-13-18(22)9-10-20(15-5-3-2-4-6-15)12-14-11-16(21)7-8-17(14)19(13)20/h2-8,11,21H,9-10,12H2,1H3
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n/an/a 15n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50185842
PNG
(4,9a-dibutyl-7-hydroxy-1,2,9,9a-tetrahydrofluoren-...)
Show SMILES CCCCC1=C2c3ccc(O)cc3CC2(CCCC)CCC1=O |c:4|
Show InChI InChI=1S/C21H28O2/c1-3-5-7-18-19(23)10-12-21(11-6-4-2)14-15-13-16(22)8-9-17(15)20(18)21/h8-9,13,22H,3-7,10-12,14H2,1-2H3
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n/an/a 15n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50185835
PNG
(4-(furan-2-yl)-7-hydroxy-9a-phenyl-1,2,9,9a-tetrah...)
Show SMILES Oc1ccc2C3=C(c4ccco4)C(=O)CCC3(Cc2c1)c1ccccc1 |c:5|
Show InChI InChI=1S/C23H18O3/c24-17-8-9-18-15(13-17)14-23(16-5-2-1-3-6-16)11-10-19(25)21(22(18)23)20-7-4-12-26-20/h1-9,12-13,24H,10-11,14H2
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n/an/a 16n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50185841
PNG
((R,S)-9a-butyl-7-hydroxy-4-methyl-1,2,9,9a-tetrahy...)
Show SMILES CCCCC12Cc3cc(O)ccc3C1=C(C)C(=O)CC2 |t:15|
Show InChI InChI=1S/C18H22O2/c1-3-4-8-18-9-7-16(20)12(2)17(18)15-6-5-14(19)10-13(15)11-18/h5-6,10,19H,3-4,7-9,11H2,1-2H3
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n/an/a 16n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50185857
PNG
((S)-9a-butyl-7-hydroxy-4-methyl-1,2,9,9a-tetrahydr...)
Show SMILES CCCC[C@]12Cc3cc(O)ccc3C1=C(C)C(=O)CC2 |t:15|
Show InChI InChI=1S/C18H22O2/c1-3-4-8-18-9-7-16(20)12(2)17(18)15-6-5-14(19)10-13(15)11-18/h5-6,10,19H,3-4,7-9,11H2,1-2H3/t18-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50185837
PNG
(7-hydroxy-9a-isobutyl-4-methyl-1,2,9,9a-tetrahydro...)
Show SMILES CC(C)CC12Cc3cc(O)ccc3C1=C(C)C(=O)CC2 |t:15|
Show InChI InChI=1S/C18H22O2/c1-11(2)9-18-7-6-16(20)12(3)17(18)15-5-4-14(19)8-13(15)10-18/h4-5,8,11,19H,6-7,9-10H2,1-3H3
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n/an/a 20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50185870
PNG
(9a-ethyl-7-hydroxy-4-methyl-1,2,9,9a-tetrahydroflu...)
Show SMILES CCC12Cc3cc(O)ccc3C1=C(C)C(=O)CC2 |t:13|
Show InChI InChI=1S/C16H18O2/c1-3-16-7-6-14(18)10(2)15(16)13-5-4-12(17)8-11(13)9-16/h4-5,8,17H,3,6-7,9H2,1-2H3
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n/an/a 28n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50185860
PNG
(9a-butyl-7-hydroxy-4-propyl-1,2,9,9a-tetrahydroflu...)
Show SMILES CCCCC12Cc3cc(O)ccc3C1=C(CCC)C(=O)CC2 |t:15|
Show InChI InChI=1S/C20H26O2/c1-3-5-10-20-11-9-18(22)17(6-4-2)19(20)16-8-7-15(21)12-14(16)13-20/h7-8,12,21H,3-6,9-11,13H2,1-2H3
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n/an/a 30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERalpha by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50185852
PNG
(7-hydroxy-3-oxo-9a-phenyl-2,3,9,9a-tetrahydro-1H-f...)
Show SMILES Oc1ccc2C3=C(C#N)C(=O)CCC3(Cc2c1)c1ccccc1 |c:5|
Show InChI InChI=1S/C20H15NO2/c21-12-17-18(23)8-9-20(14-4-2-1-3-5-14)11-13-10-15(22)6-7-16(13)19(17)20/h1-7,10,22H,8-9,11H2
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n/an/a 32n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50185865
PNG
(9a-butyl-7-hydroxy-3-oxo-2,3,9,9a-tetrahydro-1H-fl...)
Show SMILES CCCCC12Cc3cc(O)ccc3C1=C(C#N)C(=O)CC2 |t:15|
Show InChI InChI=1S/C18H19NO2/c1-2-3-7-18-8-6-16(21)15(11-19)17(18)14-5-4-13(20)9-12(14)10-18/h4-5,9,20H,2-3,6-8,10H2,1H3
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n/an/a 38n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50185842
PNG
(4,9a-dibutyl-7-hydroxy-1,2,9,9a-tetrahydrofluoren-...)
Show SMILES CCCCC1=C2c3ccc(O)cc3CC2(CCCC)CCC1=O |c:4|
Show InChI InChI=1S/C21H28O2/c1-3-5-7-18-19(23)10-12-21(11-6-4-2)14-15-13-16(22)8-9-17(15)20(18)21/h8-9,13,22H,3-7,10-12,14H2,1-2H3
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n/an/a 40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at human ERbeta transfected in HEK293 cells assessed as transactivation of alkaline phosphatase reporter gene

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50185859
PNG
(9a-butyl-7-hydroxy-4-phenyl-1,2,9,9a-tetrahydroflu...)
Show SMILES CCCCC12Cc3cc(O)ccc3C1=C(C(=O)CC2)c1ccccc1 |c:15|
Show InChI InChI=1S/C23H24O2/c1-2-3-12-23-13-11-20(25)21(16-7-5-4-6-8-16)22(23)19-10-9-18(24)14-17(19)15-23/h4-10,14,24H,2-3,11-13,15H2,1H3
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n/an/a 41n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERalpha by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50185869
PNG
(7-hydroxy-4,9a-dimethyl-1,2,9,9a-tetrahydrofluoren...)
Show SMILES CC1=C2c3ccc(O)cc3CC2(C)CCC1=O |c:1|
Show InChI InChI=1S/C15H16O2/c1-9-13(17)5-6-15(2)8-10-7-11(16)3-4-12(10)14(9)15/h3-4,7,16H,5-6,8H2,1-2H3
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n/an/a 63n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50185845
PNG
(9a-butyl-7-hydroxy-4-(thiophen-2-yl)-1,2,9,9a-tetr...)
Show SMILES CCCCC12Cc3cc(O)ccc3C1=C(c1cccs1)C(=O)CC2 |t:15|
Show InChI InChI=1S/C21H22O2S/c1-2-3-9-21-10-8-17(23)19(18-5-4-11-24-18)20(21)16-7-6-15(22)12-14(16)13-21/h4-7,11-12,22H,2-3,8-10,13H2,1H3
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n/an/a 70.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERalpha by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50185843
PNG
(4-bromo-7-hydroxy-9a-propyl-1,2,9,9a-tetrahydroflu...)
Show SMILES CCCC12Cc3cc(O)ccc3C1=C(Br)C(=O)CC2 |t:14|
Show InChI InChI=1S/C16H17BrO2/c1-2-6-16-7-5-13(19)15(17)14(16)12-4-3-11(18)8-10(12)9-16/h3-4,8,18H,2,5-7,9H2,1H3
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n/an/a 79n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERalpha by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50185856
PNG
(4-bromo-7-hydroxy-9a-phenyl-1,2,9,9a-tetrahydroflu...)
Show SMILES Oc1ccc2C3=C(Br)C(=O)CCC3(Cc2c1)c1ccccc1 |c:5|
Show InChI InChI=1S/C19H15BrO2/c20-18-16(22)8-9-19(13-4-2-1-3-5-13)11-12-10-14(21)6-7-15(12)17(18)19/h1-7,10,21H,8-9,11H2
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n/an/a 113n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERalpha by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50185866
PNG
(9a-butyl-4-chloro-7-hydroxy-1,2,9,9a-tetrahydroflu...)
Show SMILES CCCCC12Cc3cc(O)ccc3C1=C(Cl)C(=O)CC2 |t:15|
Show InChI InChI=1S/C17H19ClO2/c1-2-3-7-17-8-6-14(20)16(18)15(17)13-5-4-12(19)9-11(13)10-17/h4-5,9,19H,2-3,6-8,10H2,1H3
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n/an/a 114n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERalpha by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50185846
PNG
(7-hydroxy-9a-isopropyl-4-methyl-1,2,9,9a-tetrahydr...)
Show SMILES CC(C)C12Cc3cc(O)ccc3C1=C(C)C(=O)CC2 |t:14|
Show InChI InChI=1S/C17H20O2/c1-10(2)17-7-6-15(19)11(3)16(17)14-5-4-13(18)8-12(14)9-17/h4-5,8,10,18H,6-7,9H2,1-3H3
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n/an/a 123n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50185836
PNG
(9a-butyl-7-hydroxy-4-iodo-1,2,9,9a-tetrahydrofluor...)
Show SMILES CCCCC12Cc3cc(O)ccc3C1=C(I)C(=O)CC2 |t:15|
Show InChI InChI=1S/C17H19IO2/c1-2-3-7-17-8-6-14(20)16(18)15(17)13-5-4-12(19)9-11(13)10-17/h4-5,9,19H,2-3,6-8,10H2,1H3
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n/an/a 124n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERalpha by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50185867
PNG
(9a-butyl-7-hydroxy-4-(trifluoromethyl)-1,2,9,9a-te...)
Show SMILES CCCCC12Cc3cc(O)ccc3C1=C(C(=O)CC2)C(F)(F)F |c:15|
Show InChI InChI=1S/C18H19F3O2/c1-2-3-7-17-8-6-14(23)16(18(19,20)21)15(17)13-5-4-12(22)9-11(13)10-17/h4-5,9,22H,2-3,6-8,10H2,1H3
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n/an/a 128n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERalpha by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50185849
PNG
((9aS)-4-bromo-9a-butyl-7-hydroxy-1,2,9,9a-tetrahyd...)
Show SMILES CCCC[C@]12Cc3cc(O)ccc3C1=C(Br)C(=O)CC2 |t:15|
Show InChI InChI=1S/C17H19BrO2/c1-2-3-7-17-8-6-14(20)16(18)15(17)13-5-4-12(19)9-11(13)10-17/h4-5,9,19H,2-3,6-8,10H2,1H3/t17-/m0/s1
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n/an/a 129n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERalpha by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50185851
PNG
((R,S)-4-bromo-9a-butyl-7-hydroxy-1,2,9,9a-tetrahyd...)
Show SMILES CCCCC12Cc3cc(O)ccc3C1=C(Br)C(=O)CC2 |t:15|
Show InChI InChI=1S/C17H19BrO2/c1-2-3-7-17-8-6-14(20)16(18)15(17)13-5-4-12(19)9-11(13)10-17/h4-5,9,19H,2-3,6-8,10H2,1H3
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n/an/a 141n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERalpha by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50185861
PNG
(9a-butyl-7-hydroxy-1,2,9,9a-tetrahydrofluoren-3-on...)
Show SMILES CCCCC12Cc3cc(O)ccc3C1=CC(=O)CC2 |c:15|
Show InChI InChI=1S/C17H20O2/c1-2-3-7-17-8-6-14(19)10-16(17)15-5-4-13(18)9-12(15)11-17/h4-5,9-10,18H,2-3,6-8,11H2,1H3
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n/an/a 188n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50185837
PNG
(7-hydroxy-9a-isobutyl-4-methyl-1,2,9,9a-tetrahydro...)
Show SMILES CC(C)CC12Cc3cc(O)ccc3C1=C(C)C(=O)CC2 |t:15|
Show InChI InChI=1S/C18H22O2/c1-11(2)9-18-7-6-16(20)12(3)17(18)15-5-4-14(19)8-13(15)10-18/h4-5,8,11,19H,6-7,9-10H2,1-3H3
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n/an/a 195n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERalpha by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50185839
PNG
(9a-butyl-4-(furan-2-yl)-7-hydroxy-1,2,9,9a-tetrahy...)
Show SMILES CCCCC12Cc3cc(O)ccc3C1=C(c1ccco1)C(=O)CC2 |t:15|
Show InChI InChI=1S/C21H22O3/c1-2-3-9-21-10-8-17(23)19(18-5-4-11-24-18)20(21)16-7-6-15(22)12-14(16)13-21/h4-7,11-12,22H,2-3,8-10,13H2,1H3
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n/an/a 196n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERalpha by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50185858
PNG
(7-hydroxy-9a-propyl-1,2,9,9a-tetrahydrofluoren-3-o...)
Show SMILES CCCC12Cc3cc(O)ccc3C1=CC(=O)CC2 |c:14|
Show InChI InChI=1S/C16H18O2/c1-2-6-16-7-5-13(18)9-15(16)14-4-3-12(17)8-11(14)10-16/h3-4,8-9,17H,2,5-7,10H2,1H3
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n/an/a 218n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50185864
PNG
(9a-butyl-4-ethyl-7-hydroxy-1,2,9,9a-tetrahydrofluo...)
Show SMILES CCCCC12Cc3cc(O)ccc3C1=C(CC)C(=O)CC2 |t:15|
Show InChI InChI=1S/C19H24O2/c1-3-5-9-19-10-8-17(21)15(4-2)18(19)16-7-6-14(20)11-13(16)12-19/h6-7,11,20H,3-5,8-10,12H2,1-2H3
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n/an/a 264n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERalpha by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50185842
PNG
(4,9a-dibutyl-7-hydroxy-1,2,9,9a-tetrahydrofluoren-...)
Show SMILES CCCCC1=C2c3ccc(O)cc3CC2(CCCC)CCC1=O |c:4|
Show InChI InChI=1S/C21H28O2/c1-3-5-7-18-19(23)10-12-21(11-6-4-2)14-15-13-16(22)8-9-17(15)20(18)21/h8-9,13,22H,3-7,10-12,14H2,1-2H3
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n/an/a 273n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERalpha by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50185850
PNG
((R)-4-bromo-9a-butyl-7-hydroxy-1,2,9,9a-tetrahydro...)
Show SMILES CCCC[C@@]12Cc3cc(O)ccc3C1=C(Br)C(=O)CC2 |t:15|
Show InChI InChI=1S/C17H19BrO2/c1-2-3-7-17-8-6-14(20)16(18)15(17)13-5-4-12(19)9-11(13)10-17/h4-5,9,19H,2-3,6-8,10H2,1H3/t17-/m1/s1
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n/an/a 313n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50185855
PNG
(4-bromo-9a-ethyl-7-hydroxy-1,2,9,9a-tetrahydrofluo...)
Show SMILES CCC12Cc3cc(O)ccc3C1=C(Br)C(=O)CC2 |t:13|
Show InChI InChI=1S/C15H15BrO2/c1-2-15-6-5-12(18)14(16)13(15)11-4-3-10(17)7-9(11)8-15/h3-4,7,17H,2,5-6,8H2,1H3
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n/an/a 319n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERalpha by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50185853
PNG
(9a-ethyl-7-hydroxy-1,2,9,9a-tetrahydrofluoren-3-on...)
Show SMILES CCC12Cc3cc(O)ccc3C1=CC(=O)CC2 |c:13|
Show InChI InChI=1S/C15H16O2/c1-2-15-6-5-12(17)8-14(15)13-4-3-11(16)7-10(13)9-15/h3-4,7-8,16H,2,5-6,9H2,1H3
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n/an/a 374n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50185835
PNG
(4-(furan-2-yl)-7-hydroxy-9a-phenyl-1,2,9,9a-tetrah...)
Show SMILES Oc1ccc2C3=C(c4ccco4)C(=O)CCC3(Cc2c1)c1ccccc1 |c:5|
Show InChI InChI=1S/C23H18O3/c24-17-8-9-18-15(13-17)14-23(16-5-2-1-3-6-16)11-10-19(25)21(22(18)23)20-7-4-12-26-20/h1-9,12-13,24H,10-11,14H2
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n/an/a 389n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERalpha by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50185847
PNG
(7-hydroxy-4-methyl-9a-propyl-1,2,9,9a-tetrahydrofl...)
Show SMILES CCCC12Cc3cc(O)ccc3C1=C(C)C(=O)CC2 |t:14|
Show InChI InChI=1S/C17H20O2/c1-3-7-17-8-6-15(19)11(2)16(17)14-5-4-13(18)9-12(14)10-17/h4-5,9,18H,3,6-8,10H2,1-2H3
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n/an/a 455n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERalpha by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50185848
PNG
(7-hydroxy-4-methyl-9a-phenyl-1,2,9,9a-tetrahydrofl...)
Show SMILES CC1=C2c3ccc(O)cc3CC2(CCC1=O)c1ccccc1 |c:1|
Show InChI InChI=1S/C20H18O2/c1-13-18(22)9-10-20(15-5-3-2-4-6-15)12-14-11-16(21)7-8-17(14)19(13)20/h2-8,11,21H,9-10,12H2,1H3
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n/an/a 481n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERalpha by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50185857
PNG
((S)-9a-butyl-7-hydroxy-4-methyl-1,2,9,9a-tetrahydr...)
Show SMILES CCCC[C@]12Cc3cc(O)ccc3C1=C(C)C(=O)CC2 |t:15|
Show InChI InChI=1S/C18H22O2/c1-3-4-8-18-9-7-16(20)12(2)17(18)15-6-5-14(19)10-13(15)11-18/h5-6,10,19H,3-4,7-9,11H2,1-2H3/t18-/m0/s1
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n/an/a 567n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERalpha by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50185841
PNG
((R,S)-9a-butyl-7-hydroxy-4-methyl-1,2,9,9a-tetrahy...)
Show SMILES CCCCC12Cc3cc(O)ccc3C1=C(C)C(=O)CC2 |t:15|
Show InChI InChI=1S/C18H22O2/c1-3-4-8-18-9-7-16(20)12(2)17(18)15-6-5-14(19)10-13(15)11-18/h5-6,10,19H,3-4,7-9,11H2,1-2H3
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n/an/a 630n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERalpha by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50185852
PNG
(7-hydroxy-3-oxo-9a-phenyl-2,3,9,9a-tetrahydro-1H-f...)
Show SMILES Oc1ccc2C3=C(C#N)C(=O)CCC3(Cc2c1)c1ccccc1 |c:5|
Show InChI InChI=1S/C20H15NO2/c21-12-17-18(23)8-9-20(14-4-2-1-3-5-14)11-13-10-15(22)6-7-16(13)19(17)20/h1-7,10,22H,8-9,11H2
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n/an/a 880n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERalpha by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50185862
PNG
(4-bromo-7-hydroxy-9a-methyl-1,2,9,9a-tetrahydroflu...)
Show SMILES CC12Cc3cc(O)ccc3C1=C(Br)C(=O)CC2 |t:12|
Show InChI InChI=1S/C14H13BrO2/c1-14-5-4-11(17)13(15)12(14)10-3-2-9(16)6-8(10)7-14/h2-3,6,16H,4-5,7H2,1H3
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n/an/a 883n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERalpha by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50185854
PNG
(7-hydroxy-9a-methyl-1,2,9,9a-tetrahydrofluoren-3-o...)
Show SMILES CC12Cc3cc(O)ccc3C1=CC(=O)CC2 |c:12|
Show InChI InChI=1S/C14H14O2/c1-14-5-4-11(16)7-13(14)12-3-2-10(15)6-9(12)8-14/h2-3,6-7,15H,4-5,8H2,1H3
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n/an/a 936n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50185868
PNG
(7-hydroxy-9a-pentyl-1,2,9,9a-tetrahydrofluoren-3-o...)
Show SMILES CCCCCC12Cc3cc(O)ccc3C1=CC(=O)CC2 |c:16|
Show InChI InChI=1S/C18H22O2/c1-2-3-4-8-18-9-7-15(20)11-17(18)16-6-5-14(19)10-13(16)12-18/h5-6,10-11,19H,2-4,7-9,12H2,1H3
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n/an/a 945n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50185869
PNG
(7-hydroxy-4,9a-dimethyl-1,2,9,9a-tetrahydrofluoren...)
Show SMILES CC1=C2c3ccc(O)cc3CC2(C)CCC1=O |c:1|
Show InChI InChI=1S/C15H16O2/c1-9-13(17)5-6-15(2)8-10-7-11(16)3-4-12(10)14(9)15/h3-4,7,16H,5-6,8H2,1-2H3
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n/an/a 1.19E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERalpha by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50185870
PNG
(9a-ethyl-7-hydroxy-4-methyl-1,2,9,9a-tetrahydroflu...)
Show SMILES CCC12Cc3cc(O)ccc3C1=C(C)C(=O)CC2 |t:13|
Show InChI InChI=1S/C16H18O2/c1-3-16-7-6-14(18)10(2)15(16)13-5-4-12(17)8-11(13)9-16/h4-5,8,17H,3,6-7,9H2,1-2H3
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n/an/a 1.21E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERalpha by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50185846
PNG
(7-hydroxy-9a-isopropyl-4-methyl-1,2,9,9a-tetrahydr...)
Show SMILES CC(C)C12Cc3cc(O)ccc3C1=C(C)C(=O)CC2 |t:14|
Show InChI InChI=1S/C17H20O2/c1-10(2)17-7-6-15(19)11(3)16(17)14-5-4-13(18)8-12(14)9-17/h4-5,8,10,18H,6-7,9H2,1-3H3
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n/an/a 1.42E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERalpha by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50185838
PNG
(7-hydroxy-1,2,9,9a-tetrahydrofluoren-3-one | CHEMB...)
Show SMILES Oc1ccc2C3=CC(=O)CCC3Cc2c1 |t:5|
Show InChI InChI=1S/C13H12O2/c14-10-3-4-12-9(6-10)5-8-1-2-11(15)7-13(8)12/h3-4,6-8,14H,1-2,5H2
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n/an/a 1.53E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50185865
PNG
(9a-butyl-7-hydroxy-3-oxo-2,3,9,9a-tetrahydro-1H-fl...)
Show SMILES CCCCC12Cc3cc(O)ccc3C1=C(C#N)C(=O)CC2 |t:15|
Show InChI InChI=1S/C18H19NO2/c1-2-3-7-18-8-6-16(21)15(11-19)17(18)14-5-4-13(20)9-12(14)10-18/h4-5,9,20H,2-3,6-8,10H2,1H3
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n/an/a 1.65E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERalpha by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50185844
PNG
((R)-9a-butyl-7-hydroxy-4-methyl-1,2,9,9a-tetrahydr...)
Show SMILES CCCC[C@@]12Cc3cc(O)ccc3C1=C(C)C(=O)CC2 |t:15|
Show InChI InChI=1S/C18H22O2/c1-3-4-8-18-9-7-16(20)12(2)17(18)15-6-5-14(19)10-13(15)11-18/h5-6,10,19H,3-4,7-9,11H2,1-2H3/t18-/m1/s1
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n/an/a 1.81E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50185858
PNG
(7-hydroxy-9a-propyl-1,2,9,9a-tetrahydrofluoren-3-o...)
Show SMILES CCCC12Cc3cc(O)ccc3C1=CC(=O)CC2 |c:14|
Show InChI InChI=1S/C16H18O2/c1-2-6-16-7-5-13(18)9-15(16)14-4-3-12(17)8-11(14)10-16/h3-4,8-9,17H,2,5-7,10H2,1H3
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n/an/a 2.53E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERalpha by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50185868
PNG
(7-hydroxy-9a-pentyl-1,2,9,9a-tetrahydrofluoren-3-o...)
Show SMILES CCCCCC12Cc3cc(O)ccc3C1=CC(=O)CC2 |c:16|
Show InChI InChI=1S/C18H22O2/c1-2-3-4-8-18-9-7-15(20)11-17(18)16-6-5-14(19)10-13(16)12-18/h5-6,10-11,19H,2-4,7-9,12H2,1H3
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n/an/a 3.74E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERalpha by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50185850
PNG
((R)-4-bromo-9a-butyl-7-hydroxy-1,2,9,9a-tetrahydro...)
Show SMILES CCCC[C@@]12Cc3cc(O)ccc3C1=C(Br)C(=O)CC2 |t:15|
Show InChI InChI=1S/C17H19BrO2/c1-2-3-7-17-8-6-14(20)16(18)15(17)13-5-4-12(19)9-11(13)10-17/h4-5,9,19H,2-3,6-8,10H2,1H3/t17-/m1/s1
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n/an/a 4.02E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERalpha by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50185863
PNG
(9a-benzyl-7-hydroxy-1,2,9,9a-tetrahydrofluoren-3-o...)
Show SMILES Oc1ccc2C3=CC(=O)CCC3(Cc3ccccc3)Cc2c1 |t:5|
Show InChI InChI=1S/C20H18O2/c21-16-6-7-18-15(10-16)13-20(9-8-17(22)11-19(18)20)12-14-4-2-1-3-5-14/h1-7,10-11,21H,8-9,12-13H2
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n/an/a 4.22E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50185854
PNG
(7-hydroxy-9a-methyl-1,2,9,9a-tetrahydrofluoren-3-o...)
Show SMILES CC12Cc3cc(O)ccc3C1=CC(=O)CC2 |c:12|
Show InChI InChI=1S/C14H14O2/c1-14-5-4-11(16)7-13(14)12-3-2-10(15)6-9(12)8-14/h2-3,6-7,15H,4-5,8H2,1H3
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n/an/a 4.25E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERalpha by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50185861
PNG
(9a-butyl-7-hydroxy-1,2,9,9a-tetrahydrofluoren-3-on...)
Show SMILES CCCCC12Cc3cc(O)ccc3C1=CC(=O)CC2 |c:15|
Show InChI InChI=1S/C17H20O2/c1-2-3-7-17-8-6-14(19)10-16(17)15-5-4-13(18)9-12(15)11-17/h4-5,9-10,18H,2-3,6-8,11H2,1H3
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n/an/a 6.45E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERalpha by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50185853
PNG
(9a-ethyl-7-hydroxy-1,2,9,9a-tetrahydrofluoren-3-on...)
Show SMILES CCC12Cc3cc(O)ccc3C1=CC(=O)CC2 |c:13|
Show InChI InChI=1S/C15H16O2/c1-2-15-6-5-12(17)8-14(15)13-4-3-11(16)7-10(13)9-15/h3-4,7-8,16H,2,5-6,9H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERalpha by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50185844
PNG
((R)-9a-butyl-7-hydroxy-4-methyl-1,2,9,9a-tetrahydr...)
Show SMILES CCCC[C@@]12Cc3cc(O)ccc3C1=C(C)C(=O)CC2 |t:15|
Show InChI InChI=1S/C18H22O2/c1-3-4-8-18-9-7-16(20)12(2)17(18)15-6-5-14(19)10-13(15)11-18/h5-6,10,19H,3-4,7-9,11H2,1-2H3/t18-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERalpha by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50185863
PNG
(9a-benzyl-7-hydroxy-1,2,9,9a-tetrahydrofluoren-3-o...)
Show SMILES Oc1ccc2C3=CC(=O)CCC3(Cc3ccccc3)Cc2c1 |t:5|
Show InChI InChI=1S/C20H18O2/c21-16-6-7-18-15(10-16)13-20(9-8-17(22)11-19(18)20)12-14-4-2-1-3-5-14/h1-7,10-11,21H,8-9,12-13H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERalpha by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50185838
PNG
(7-hydroxy-1,2,9,9a-tetrahydrofluoren-3-one | CHEMB...)
Show SMILES Oc1ccc2C3=CC(=O)CCC3Cc2c1 |t:5|
Show InChI InChI=1S/C13H12O2/c14-10-3-4-12-9(6-10)5-8-1-2-11(15)7-13(8)12/h3-4,6-8,14H,1-2,5H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERalpha by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50185840
PNG
(7-hydroxy-9a-(2-hydroxyethyl)-4-methyl-1,2,9,9a-te...)
Show SMILES CC1=C2c3ccc(O)cc3CC2(CCO)CCC1=O |c:1|
Show InChI InChI=1S/C16H18O3/c1-10-14(19)4-5-16(6-7-17)9-11-8-12(18)2-3-13(11)15(10)16/h2-3,8,17-18H,4-7,9H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50185840
PNG
(7-hydroxy-9a-(2-hydroxyethyl)-4-methyl-1,2,9,9a-te...)
Show SMILES CC1=C2c3ccc(O)cc3CC2(CCO)CCC1=O |c:1|
Show InChI InChI=1S/C16H18O3/c1-10-14(19)4-5-16(6-7-17)9-11-8-12(18)2-3-13(11)15(10)16/h2-3,8,17-18H,4-7,9H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERalpha by scintillation proximity assay

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50185851
PNG
((R,S)-4-bromo-9a-butyl-7-hydroxy-1,2,9,9a-tetrahyd...)
Show SMILES CCCCC12Cc3cc(O)ccc3C1=C(Br)C(=O)CC2 |t:15|
Show InChI InChI=1S/C17H19BrO2/c1-2-3-7-17-8-6-14(20)16(18)15(17)13-5-4-12(19)9-11(13)10-17/h4-5,9,19H,2-3,6-8,10H2,1H3
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n/an/an/an/a 4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at human ERbeta transfected in HEK293 cells assessed as transactivation of alkaline phosphatase reporter gene

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50185866
PNG
(9a-butyl-4-chloro-7-hydroxy-1,2,9,9a-tetrahydroflu...)
Show SMILES CCCCC12Cc3cc(O)ccc3C1=C(Cl)C(=O)CC2 |t:15|
Show InChI InChI=1S/C17H19ClO2/c1-2-3-7-17-8-6-14(20)16(18)15(17)13-5-4-12(19)9-11(13)10-17/h4-5,9,19H,2-3,6-8,10H2,1H3
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n/an/an/an/a 11n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at human ERbeta transfected in HEK293 cells assessed as transactivation of alkaline phosphatase reporter gene

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50185845
PNG
(9a-butyl-7-hydroxy-4-(thiophen-2-yl)-1,2,9,9a-tetr...)
Show SMILES CCCCC12Cc3cc(O)ccc3C1=C(c1cccs1)C(=O)CC2 |t:15|
Show InChI InChI=1S/C21H22O2S/c1-2-3-9-21-10-8-17(23)19(18-5-4-11-24-18)20(21)16-7-6-15(22)12-14(16)13-21/h4-7,11-12,22H,2-3,8-10,13H2,1H3
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n/an/an/an/a 4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at human ERbeta transfected in HEK293 cells assessed as transactivation of alkaline phosphatase reporter gene

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50185859
PNG
(9a-butyl-7-hydroxy-4-phenyl-1,2,9,9a-tetrahydroflu...)
Show SMILES CCCCC12Cc3cc(O)ccc3C1=C(C(=O)CC2)c1ccccc1 |c:15|
Show InChI InChI=1S/C23H24O2/c1-2-3-12-23-13-11-20(25)21(16-7-5-4-6-8-16)22(23)19-10-9-18(24)14-17(19)15-23/h4-10,14,24H,2-3,11-13,15H2,1H3
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n/an/an/an/a 5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at human ERbeta transfected in HEK293 cells assessed as transactivation of alkaline phosphatase reporter gene

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50185836
PNG
(9a-butyl-7-hydroxy-4-iodo-1,2,9,9a-tetrahydrofluor...)
Show SMILES CCCCC12Cc3cc(O)ccc3C1=C(I)C(=O)CC2 |t:15|
Show InChI InChI=1S/C17H19IO2/c1-2-3-7-17-8-6-14(20)16(18)15(17)13-5-4-12(19)9-11(13)10-17/h4-5,9,19H,2-3,6-8,10H2,1H3
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n/an/an/an/a 2n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at human ERbeta transfected in HEK293 cells assessed as transactivation of alkaline phosphatase reporter gene

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50185839
PNG
(9a-butyl-4-(furan-2-yl)-7-hydroxy-1,2,9,9a-tetrahy...)
Show SMILES CCCCC12Cc3cc(O)ccc3C1=C(c1ccco1)C(=O)CC2 |t:15|
Show InChI InChI=1S/C21H22O3/c1-2-3-9-21-10-8-17(23)19(18-5-4-11-24-18)20(21)16-7-6-15(22)12-14(16)13-21/h4-7,11-12,22H,2-3,8-10,13H2,1H3
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n/an/an/an/a 5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at human ERbeta transfected in HEK293 cells assessed as transactivation of alkaline phosphatase reporter gene

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50185864
PNG
(9a-butyl-4-ethyl-7-hydroxy-1,2,9,9a-tetrahydrofluo...)
Show SMILES CCCCC12Cc3cc(O)ccc3C1=C(CC)C(=O)CC2 |t:15|
Show InChI InChI=1S/C19H24O2/c1-3-5-9-19-10-8-17(21)15(4-2)18(19)16-7-6-14(20)11-13(16)12-19/h6-7,11,20H,3-5,8-10,12H2,1-2H3
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n/an/an/an/a 2n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at human ERbeta transfected in HEK293 cells assessed as transactivation of alkaline phosphatase reporter gene

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50185865
PNG
(9a-butyl-7-hydroxy-3-oxo-2,3,9,9a-tetrahydro-1H-fl...)
Show SMILES CCCCC12Cc3cc(O)ccc3C1=C(C#N)C(=O)CC2 |t:15|
Show InChI InChI=1S/C18H19NO2/c1-2-3-7-18-8-6-16(21)15(11-19)17(18)14-5-4-13(20)9-12(14)10-18/h4-5,9,20H,2-3,6-8,10H2,1H3
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n/an/an/an/a 5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at human ERbeta transfected in HEK293 cells assessed as transactivation of alkaline phosphatase reporter gene

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50185841
PNG
((R,S)-9a-butyl-7-hydroxy-4-methyl-1,2,9,9a-tetrahy...)
Show SMILES CCCCC12Cc3cc(O)ccc3C1=C(C)C(=O)CC2 |t:15|
Show InChI InChI=1S/C18H22O2/c1-3-4-8-18-9-7-16(20)12(2)17(18)15-6-5-14(19)10-13(15)11-18/h5-6,10,19H,3-4,7-9,11H2,1-2H3
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n/an/an/an/a 20n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at human ERbeta transfected in HEK293 cells assessed as transactivation of alkaline phosphatase reporter gene

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50185860
PNG
(9a-butyl-7-hydroxy-4-propyl-1,2,9,9a-tetrahydroflu...)
Show SMILES CCCCC12Cc3cc(O)ccc3C1=C(CCC)C(=O)CC2 |t:15|
Show InChI InChI=1S/C20H26O2/c1-3-5-10-20-11-9-18(22)17(6-4-2)19(20)16-8-7-15(21)12-14(16)13-20/h7-8,12,21H,3-6,9-11,13H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at human ERbeta transfected in HEK293 cells assessed as transactivation of alkaline phosphatase reporter gene

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50185842
PNG
(4,9a-dibutyl-7-hydroxy-1,2,9,9a-tetrahydrofluoren-...)
Show SMILES CCCCC1=C2c3ccc(O)cc3CC2(CCCC)CCC1=O |c:4|
Show InChI InChI=1S/C21H28O2/c1-3-5-7-18-19(23)10-12-21(11-6-4-2)14-15-13-16(22)8-9-17(15)20(18)21/h8-9,13,22H,3-7,10-12,14H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 30n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at human ERbeta transfected in HEK293 cells assessed as transactivation of alkaline phosphatase reporter gene

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50185867
PNG
(9a-butyl-7-hydroxy-4-(trifluoromethyl)-1,2,9,9a-te...)
Show SMILES CCCCC12Cc3cc(O)ccc3C1=C(C(=O)CC2)C(F)(F)F |c:15|
Show InChI InChI=1S/C18H19F3O2/c1-2-3-7-17-8-6-14(23)16(18(19,20)21)15(17)13-5-4-12(22)9-11(13)10-17/h4-5,9,22H,2-3,6-8,10H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 40n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at human ERbeta transfected in HEK293 cells assessed as transactivation of alkaline phosphatase reporter gene

Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%