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PubMed code 18722117

Compile data set for download or QSAR
Found 24 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
Estradiol receptor beta (ERβ)


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



GlaxoSmithKline Research

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from full length biotinylated human ERbeta by scintillation proximity assay


Bioorg Med Chem Lett 18: 5075-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.121
BindingDB Entry DOI: 10.7270/Q2C53KNF
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50264124
PNG
(3-(4-(6-hydroxy-3-pentyl-2-phenylnaphthalen-1-ylox...)
Show SMILES CCCCCc1cc2cc(O)ccc2c(Oc2ccc(\C=C\C(O)=O)cc2)c1-c1ccccc1
Show InChI InChI=1S/C30H28O4/c1-2-3-5-10-23-19-24-20-25(31)14-17-27(24)30(29(23)22-8-6-4-7-9-22)34-26-15-11-21(12-16-26)13-18-28(32)33/h4,6-9,11-20,31H,2-3,5,10H2,1H3,(H,32,33)/b18-13+
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from full length biotinylated human ERalpha by scintillation proximity assay


Bioorg Med Chem Lett 18: 5075-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.121
BindingDB Entry DOI: 10.7270/Q2C53KNF
More data for this
Ligand-Target Pair
Estrogen receptor


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



GlaxoSmithKline Research

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from full length biotinylated human ERalpha by scintillation proximity assay


Bioorg Med Chem Lett 18: 5075-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.121
BindingDB Entry DOI: 10.7270/Q2C53KNF
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM19441
PNG
(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)
Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from full length biotinylated human ERalpha by scintillation proximity assay


Bioorg Med Chem Lett 18: 5075-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.121
BindingDB Entry DOI: 10.7270/Q2C53KNF
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50264124
PNG
(3-(4-(6-hydroxy-3-pentyl-2-phenylnaphthalen-1-ylox...)
Show SMILES CCCCCc1cc2cc(O)ccc2c(Oc2ccc(\C=C\C(O)=O)cc2)c1-c1ccccc1
Show InChI InChI=1S/C30H28O4/c1-2-3-5-10-23-19-24-20-25(31)14-17-27(24)30(29(23)22-8-6-4-7-9-22)34-26-15-11-21(12-16-26)13-18-28(32)33/h4,6-9,11-20,31H,2-3,5,10H2,1H3,(H,32,33)/b18-13+
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3n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from full length biotinylated human ERbeta by scintillation proximity assay


Bioorg Med Chem Lett 18: 5075-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.121
BindingDB Entry DOI: 10.7270/Q2C53KNF
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50264122
PNG
(3-(4-(3-butyl-6-hydroxy-2-phenylnaphthalen-1-yloxy...)
Show SMILES CCCCc1cc2cc(O)ccc2c(Oc2ccc(\C=C\C(O)=O)cc2)c1-c1ccccc1
Show InChI InChI=1S/C29H26O4/c1-2-3-7-22-18-23-19-24(30)13-16-26(23)29(28(22)21-8-5-4-6-9-21)33-25-14-10-20(11-15-25)12-17-27(31)32/h4-6,8-19,30H,2-3,7H2,1H3,(H,31,32)/b17-12+
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4n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from full length biotinylated human ERalpha by scintillation proximity assay


Bioorg Med Chem Lett 18: 5075-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.121
BindingDB Entry DOI: 10.7270/Q2C53KNF
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50264122
PNG
(3-(4-(3-butyl-6-hydroxy-2-phenylnaphthalen-1-yloxy...)
Show SMILES CCCCc1cc2cc(O)ccc2c(Oc2ccc(\C=C\C(O)=O)cc2)c1-c1ccccc1
Show InChI InChI=1S/C29H26O4/c1-2-3-7-22-18-23-19-24(30)13-16-26(23)29(28(22)21-8-5-4-6-9-21)33-25-14-10-20(11-15-25)12-17-27(31)32/h4-6,8-19,30H,2-3,7H2,1H3,(H,31,32)/b17-12+
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4n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from full length biotinylated human ERbeta by scintillation proximity assay


Bioorg Med Chem Lett 18: 5075-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.121
BindingDB Entry DOI: 10.7270/Q2C53KNF
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50264121
PNG
(3-(4-(3-cyclopropyl-6-hydroxy-2-phenylnaphthalen-1...)
Show SMILES OC(=O)\C=C\c1ccc(Oc2c(-c3ccccc3)c(cc3cc(O)ccc23)C2CC2)cc1
Show InChI InChI=1S/C28H22O4/c29-22-11-14-24-21(16-22)17-25(19-9-10-19)27(20-4-2-1-3-5-20)28(24)32-23-12-6-18(7-13-23)8-15-26(30)31/h1-8,11-17,19,29H,9-10H2,(H,30,31)/b15-8+
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16n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from full length biotinylated human ERbeta by scintillation proximity assay


Bioorg Med Chem Lett 18: 5075-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.121
BindingDB Entry DOI: 10.7270/Q2C53KNF
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50264123
PNG
(3-(4-(6-hydroxy-3-isobutyl-2-phenylnaphthalen-1-yl...)
Show SMILES CC(C)Cc1cc2cc(O)ccc2c(Oc2ccc(\C=C\C(O)=O)cc2)c1-c1ccccc1
Show InChI InChI=1S/C29H26O4/c1-19(2)16-23-17-22-18-24(30)11-14-26(22)29(28(23)21-6-4-3-5-7-21)33-25-12-8-20(9-13-25)10-15-27(31)32/h3-15,17-19,30H,16H2,1-2H3,(H,31,32)/b15-10+
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22n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from full length biotinylated human ERbeta by scintillation proximity assay


Bioorg Med Chem Lett 18: 5075-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.121
BindingDB Entry DOI: 10.7270/Q2C53KNF
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM19441
PNG
(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)
Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2
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23n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from full length biotinylated human ERbeta by scintillation proximity assay


Bioorg Med Chem Lett 18: 5075-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.121
BindingDB Entry DOI: 10.7270/Q2C53KNF
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50264123
PNG
(3-(4-(6-hydroxy-3-isobutyl-2-phenylnaphthalen-1-yl...)
Show SMILES CC(C)Cc1cc2cc(O)ccc2c(Oc2ccc(\C=C\C(O)=O)cc2)c1-c1ccccc1
Show InChI InChI=1S/C29H26O4/c1-19(2)16-23-17-22-18-24(30)11-14-26(22)29(28(23)21-6-4-3-5-7-21)33-25-12-8-20(9-13-25)10-15-27(31)32/h3-15,17-19,30H,16H2,1-2H3,(H,31,32)/b15-10+
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28n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from full length biotinylated human ERalpha by scintillation proximity assay


Bioorg Med Chem Lett 18: 5075-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.121
BindingDB Entry DOI: 10.7270/Q2C53KNF
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50264172
PNG
(3-(4-(6-hydroxy-3-octyl-2-phenylnaphthalen-1-yloxy...)
Show SMILES CCCCCCCCc1cc2cc(O)ccc2c(Oc2ccc(\C=C\C(O)=O)cc2)c1-c1ccccc1
Show InChI InChI=1S/C33H34O4/c1-2-3-4-5-6-8-13-26-22-27-23-28(34)17-20-30(27)33(32(26)25-11-9-7-10-12-25)37-29-18-14-24(15-19-29)16-21-31(35)36/h7,9-12,14-23,34H,2-6,8,13H2,1H3,(H,35,36)/b21-16+
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30n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from full length biotinylated human ERbeta by scintillation proximity assay


Bioorg Med Chem Lett 18: 5075-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.121
BindingDB Entry DOI: 10.7270/Q2C53KNF
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50264695
PNG
(3-(4-(3-butyl-2-(4-hydroxyphenyl)naphthalen-1-ylox...)
Show SMILES CCCCc1cc2ccccc2c(Oc2ccc(\C=C\C(O)=O)cc2)c1-c1ccc(O)cc1
Show InChI InChI=1S/C29H26O4/c1-2-3-6-23-19-22-7-4-5-8-26(22)29(28(23)21-12-14-24(30)15-13-21)33-25-16-9-20(10-17-25)11-18-27(31)32/h4-5,7-19,30H,2-3,6H2,1H3,(H,31,32)/b18-11+
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48n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from full length biotinylated human ERbeta by scintillation proximity assay


Bioorg Med Chem Lett 18: 5075-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.121
BindingDB Entry DOI: 10.7270/Q2C53KNF
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50264695
PNG
(3-(4-(3-butyl-2-(4-hydroxyphenyl)naphthalen-1-ylox...)
Show SMILES CCCCc1cc2ccccc2c(Oc2ccc(\C=C\C(O)=O)cc2)c1-c1ccc(O)cc1
Show InChI InChI=1S/C29H26O4/c1-2-3-6-23-19-22-7-4-5-8-26(22)29(28(23)21-12-14-24(30)15-13-21)33-25-16-9-20(10-17-25)11-18-27(31)32/h4-5,7-19,30H,2-3,6H2,1H3,(H,31,32)/b18-11+
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52n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from full length biotinylated human ERalpha by scintillation proximity assay


Bioorg Med Chem Lett 18: 5075-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.121
BindingDB Entry DOI: 10.7270/Q2C53KNF
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50264172
PNG
(3-(4-(6-hydroxy-3-octyl-2-phenylnaphthalen-1-yloxy...)
Show SMILES CCCCCCCCc1cc2cc(O)ccc2c(Oc2ccc(\C=C\C(O)=O)cc2)c1-c1ccccc1
Show InChI InChI=1S/C33H34O4/c1-2-3-4-5-6-8-13-26-22-27-23-28(34)17-20-30(27)33(32(26)25-11-9-7-10-12-25)37-29-18-14-24(15-19-29)16-21-31(35)36/h7,9-12,14-23,34H,2-6,8,13H2,1H3,(H,35,36)/b21-16+
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55n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from full length biotinylated human ERalpha by scintillation proximity assay


Bioorg Med Chem Lett 18: 5075-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.121
BindingDB Entry DOI: 10.7270/Q2C53KNF
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50264121
PNG
(3-(4-(3-cyclopropyl-6-hydroxy-2-phenylnaphthalen-1...)
Show SMILES OC(=O)\C=C\c1ccc(Oc2c(-c3ccccc3)c(cc3cc(O)ccc23)C2CC2)cc1
Show InChI InChI=1S/C28H22O4/c29-22-11-14-24-21(16-22)17-25(19-9-10-19)27(20-4-2-1-3-5-20)28(24)32-23-12-6-18(7-13-23)8-15-26(30)31/h1-8,11-17,19,29H,9-10H2,(H,30,31)/b15-8+
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60n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from full length biotinylated human ERalpha by scintillation proximity assay


Bioorg Med Chem Lett 18: 5075-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.121
BindingDB Entry DOI: 10.7270/Q2C53KNF
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50264693
PNG
(3-(4-(3-butyl-2-(4-fluorophenyl)naphthalen-1-yloxy...)
Show SMILES CCCCc1cc2ccccc2c(Oc2ccc(\C=C\C(O)=O)cc2)c1-c1ccc(F)cc1
Show InChI InChI=1S/C29H25FO3/c1-2-3-6-23-19-22-7-4-5-8-26(22)29(28(23)21-12-14-24(30)15-13-21)33-25-16-9-20(10-17-25)11-18-27(31)32/h4-5,7-19H,2-3,6H2,1H3,(H,31,32)/b18-11+
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110n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from full length biotinylated human ERbeta by scintillation proximity assay


Bioorg Med Chem Lett 18: 5075-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.121
BindingDB Entry DOI: 10.7270/Q2C53KNF
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50264694
PNG
(3-(4-(3-butyl-2-(4-methoxyphenyl)naphthalen-1-ylox...)
Show SMILES CCCCc1cc2ccccc2c(Oc2ccc(\C=C\C(O)=O)cc2)c1-c1ccc(OC)cc1
Show InChI InChI=1S/C30H28O4/c1-3-4-7-24-20-23-8-5-6-9-27(23)30(29(24)22-13-17-25(33-2)18-14-22)34-26-15-10-21(11-16-26)12-19-28(31)32/h5-6,8-20H,3-4,7H2,1-2H3,(H,31,32)/b19-12+
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158n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from full length biotinylated human ERalpha by scintillation proximity assay


Bioorg Med Chem Lett 18: 5075-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.121
BindingDB Entry DOI: 10.7270/Q2C53KNF
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50264694
PNG
(3-(4-(3-butyl-2-(4-methoxyphenyl)naphthalen-1-ylox...)
Show SMILES CCCCc1cc2ccccc2c(Oc2ccc(\C=C\C(O)=O)cc2)c1-c1ccc(OC)cc1
Show InChI InChI=1S/C30H28O4/c1-3-4-7-24-20-23-8-5-6-9-27(23)30(29(24)22-13-17-25(33-2)18-14-22)34-26-15-10-21(11-16-26)12-19-28(31)32/h5-6,8-20H,3-4,7H2,1-2H3,(H,31,32)/b19-12+
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162n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from full length biotinylated human ERbeta by scintillation proximity assay


Bioorg Med Chem Lett 18: 5075-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.121
BindingDB Entry DOI: 10.7270/Q2C53KNF
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50264692
PNG
(3-(4-(3-butyl-2-phenylnaphthalen-1-yloxy)phenyl)ac...)
Show SMILES CCCCc1cc2ccccc2c(Oc2ccc(\C=C\C(O)=O)cc2)c1-c1ccccc1
Show InChI InChI=1S/C29H26O3/c1-2-3-9-24-20-23-12-7-8-13-26(23)29(28(24)22-10-5-4-6-11-22)32-25-17-14-21(15-18-25)16-19-27(30)31/h4-8,10-20H,2-3,9H2,1H3,(H,30,31)/b19-16+
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170n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from full length biotinylated human ERbeta by scintillation proximity assay


Bioorg Med Chem Lett 18: 5075-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.121
BindingDB Entry DOI: 10.7270/Q2C53KNF
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50264660
PNG
(3-(4-(3-(methoxymethyl)-2-phenylnaphthalen-1-yloxy...)
Show SMILES COCc1cc2ccccc2c(Oc2ccc(\C=C\C(O)=O)cc2)c1-c1ccccc1
Show InChI InChI=1S/C27H22O4/c1-30-18-22-17-21-9-5-6-10-24(21)27(26(22)20-7-3-2-4-8-20)31-23-14-11-19(12-15-23)13-16-25(28)29/h2-17H,18H2,1H3,(H,28,29)/b16-13+
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501n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from full length biotinylated human ERbeta by scintillation proximity assay


Bioorg Med Chem Lett 18: 5075-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.121
BindingDB Entry DOI: 10.7270/Q2C53KNF
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50264660
PNG
(3-(4-(3-(methoxymethyl)-2-phenylnaphthalen-1-yloxy...)
Show SMILES COCc1cc2ccccc2c(Oc2ccc(\C=C\C(O)=O)cc2)c1-c1ccccc1
Show InChI InChI=1S/C27H22O4/c1-30-18-22-17-21-9-5-6-10-24(21)27(26(22)20-7-3-2-4-8-20)31-23-14-11-19(12-15-23)13-16-25(28)29/h2-17H,18H2,1H3,(H,28,29)/b16-13+
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692n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from full length biotinylated human ERalpha by scintillation proximity assay


Bioorg Med Chem Lett 18: 5075-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.121
BindingDB Entry DOI: 10.7270/Q2C53KNF
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50264693
PNG
(3-(4-(3-butyl-2-(4-fluorophenyl)naphthalen-1-yloxy...)
Show SMILES CCCCc1cc2ccccc2c(Oc2ccc(\C=C\C(O)=O)cc2)c1-c1ccc(F)cc1
Show InChI InChI=1S/C29H25FO3/c1-2-3-6-23-19-22-7-4-5-8-26(22)29(28(23)21-12-14-24(30)15-13-21)33-25-16-9-20(10-17-25)11-18-27(31)32/h4-5,7-19H,2-3,6H2,1H3,(H,31,32)/b18-11+
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724n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from full length biotinylated human ERalpha by scintillation proximity assay


Bioorg Med Chem Lett 18: 5075-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.121
BindingDB Entry DOI: 10.7270/Q2C53KNF
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50264692
PNG
(3-(4-(3-butyl-2-phenylnaphthalen-1-yloxy)phenyl)ac...)
Show SMILES CCCCc1cc2ccccc2c(Oc2ccc(\C=C\C(O)=O)cc2)c1-c1ccccc1
Show InChI InChI=1S/C29H26O3/c1-2-3-9-24-20-23-12-7-8-13-26(23)29(28(24)22-10-5-4-6-11-22)32-25-17-14-21(15-18-25)16-19-27(30)31/h4-8,10-20H,2-3,9H2,1H3,(H,30,31)/b19-16+
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977n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from full length biotinylated human ERalpha by scintillation proximity assay


Bioorg Med Chem Lett 18: 5075-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.121
BindingDB Entry DOI: 10.7270/Q2C53KNF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%