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37 similar compounds to monomer 50185870

Compile data set for download or QSAR
Wt: 228.2
BDBM50185869
Wt: 312.4
BDBM50185842
Wt: 270.3
BDBM50185837
Wt: 200.2
BDBM50185838
Wt: 290.3
BDBM50185848
Wt: 258.3
BDBM50185840
Wt: 270.3
BDBM50185841
Wt: 301.3
BDBM50185852
Wt: 270.3
BDBM50185844
Wt: 256.3
BDBM50185846
Wt: 256.3
BDBM50185847
Wt: 228.2
BDBM50185853
Wt: 214.2
BDBM50185854
Wt: 332.4
BDBM50185859
Wt: 298.4
BDBM50185860
Displayed 1 to 15 (of 37 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 36 hits for monomerid = 50185869,50185842,50185837,50185838,50185848,50185840,50185841,50185852,50185844,50185846,50185847,50185853,50185854,50185859,50185860   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Estradiol receptor beta (ERβ)


(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
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
Estradiol receptor beta (ERβ)


(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
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


(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
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
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50185842
PNG
(4,9a-dibutyl-7-hydroxy-1,2,9,9a-tetrahydrofluoren-...)
Show SMILES CCCCC1=C2c3ccc(O)cc3CC2(CCCC)CCC1=O
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


(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
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
Estradiol receptor beta (ERβ)


(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
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))
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
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
Estradiol receptor beta (ERβ)


(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
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
Estradiol receptor beta (ERβ)


(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
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
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50185842
PNG
(4,9a-dibutyl-7-hydroxy-1,2,9,9a-tetrahydrofluoren-...)
Show SMILES CCCCC1=C2c3ccc(O)cc3CC2(CCCC)CCC1=O
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))
BDBM50185848
PNG
(7-hydroxy-4-methyl-9a-phenyl-1,2,9,9a-tetrahydrofl...)
Show SMILES CC1=C2c3ccc(O)cc3CC2(CCC1=O)c1ccccc1
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
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50185853
PNG
(9a-ethyl-7-hydroxy-1,2,9,9a-tetrahydrofluoren-3-on...)
Show SMILES CCC12Cc3cc(O)ccc3C1=CC(=O)CC2
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
Estradiol receptor beta (ERβ)


(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
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


(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
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))
BDBM50185838
PNG
(7-hydroxy-1,2,9,9a-tetrahydrofluoren-3-one | CHEMB...)
Show SMILES Oc1ccc2C3=CC(=O)CCC3Cc2c1
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
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50185854
PNG
(7-hydroxy-9a-methyl-1,2,9,9a-tetrahydrofluoren-3-o...)
Show SMILES CC12Cc3cc(O)ccc3C1=CC(=O)CC2
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
Estradiol receptor beta (ERβ)


(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
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


(Homo sapiens (Human))
BDBM50185842
PNG
(4,9a-dibutyl-7-hydroxy-1,2,9,9a-tetrahydrofluoren-...)
Show SMILES CCCCC1=C2c3ccc(O)cc3CC2(CCCC)CCC1=O
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
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50185842
PNG
(4,9a-dibutyl-7-hydroxy-1,2,9,9a-tetrahydrofluoren-...)
Show SMILES CCCCC1=C2c3ccc(O)cc3CC2(CCCC)CCC1=O
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/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
Estradiol receptor beta (ERβ)


(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
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


(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
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


(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
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))
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
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))
BDBM50185854
PNG
(7-hydroxy-9a-methyl-1,2,9,9a-tetrahydrofluoren-3-o...)
Show SMILES CC12Cc3cc(O)ccc3C1=CC(=O)CC2
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))
BDBM50185859
PNG
(9a-butyl-7-hydroxy-4-phenyl-1,2,9,9a-tetrahydroflu...)
Show SMILES CCCCC12Cc3cc(O)ccc3C1=C(C(=O)CC2)c1ccccc1
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
Estradiol receptor beta (ERβ)


(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
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
Estradiol receptor beta (ERβ)


(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
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
Estradiol receptor beta (ERβ)


(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
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))
BDBM50185869
PNG
(7-hydroxy-4,9a-dimethyl-1,2,9,9a-tetrahydrofluoren...)
Show SMILES CC1=C2c3ccc(O)cc3CC2(C)CCC1=O
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
Estradiol receptor beta (ERβ)


(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
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/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
Estradiol receptor beta (ERβ)


(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
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


(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
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
Estradiol receptor beta (ERβ)


(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
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
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50185869
PNG
(7-hydroxy-4,9a-dimethyl-1,2,9,9a-tetrahydrofluoren...)
Show SMILES CC1=C2c3ccc(O)cc3CC2(C)CCC1=O
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))
BDBM50185853
PNG
(9a-ethyl-7-hydroxy-1,2,9,9a-tetrahydrofluoren-3-on...)
Show SMILES CCC12Cc3cc(O)ccc3C1=CC(=O)CC2
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
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50185838
PNG
(7-hydroxy-1,2,9,9a-tetrahydrofluoren-3-one | CHEMB...)
Show SMILES Oc1ccc2C3=CC(=O)CCC3Cc2c1
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