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PubMed code 12565955

Compile data set for download or QSAR
Found 33 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


(RAT)
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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n/an/a 0.700n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Rat Estrogen receptor-alpha


Bioorg Med Chem Lett 13: 479-83 (2003)


Article DOI: 10.1016/s0960-894x(02)00985-x
BindingDB Entry DOI: 10.7270/Q2F76BXK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))
BDBM50123209
PNG
(5'-(2-hexahydro-1-pyridinylethoxy)-2-(4-hydroxyphe...)
Show SMILES Oc1ccc(cc1)C1=Cc2cc(O)ccc2C11Cc2ccc(OCCN3CCCCC3)cc2C1
Show InChI InChI=1/C30H31NO3/c32-25-7-4-21(5-8-25)29-18-23-16-26(33)9-11-28(23)30(29)19-22-6-10-27(17-24(22)20-30)34-15-14-31-12-2-1-3-13-31/h4-11,16-18,32-33H,1-3,12-15,19-20H2
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Human Estrogen receptor-alpha


Bioorg Med Chem Lett 13: 479-83 (2003)


Article DOI: 10.1016/s0960-894x(02)00985-x
BindingDB Entry DOI: 10.7270/Q2F76BXK
More data for this
Ligand-Target Pair
Estrogen receptor


(Rattus norvegicus)
BDBM50123205
PNG
(2-(4-hydroxyphenyl)-1,2'-spirobi[1H-indene]-5-ol |...)
Show SMILES Oc1ccc(cc1)C1=Cc2cc(O)ccc2C11Cc2ccccc2C1
Show InChI InChI=1S/C23H18O2/c24-19-7-5-15(6-8-19)22-12-18-11-20(25)9-10-21(18)23(22)13-16-3-1-2-4-17(16)14-23/h1-12,24-25H,13-14H2
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n/an/a 1.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity foor Rat Estrogen receptor-beta


Bioorg Med Chem Lett 13: 479-83 (2003)


Article DOI: 10.1016/s0960-894x(02)00985-x
BindingDB Entry DOI: 10.7270/Q2F76BXK
More data for this
Ligand-Target Pair
Estrogen receptor


(Rattus norvegicus)
BDBM50123208
PNG
(2-(4-hydroxyphenyl)-3-methyl-1,2'-spirobi[1H-inden...)
Show SMILES CC1=C(c2ccc(O)cc2)C2(Cc3ccccc3C2)c2ccc(O)cc12
Show InChI InChI=1S/C24H20O2/c1-15-21-12-20(26)10-11-22(21)24(13-17-4-2-3-5-18(17)14-24)23(15)16-6-8-19(25)9-7-16/h2-12,25-26H,13-14H2,1H3
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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 foor Rat Estrogen receptor-beta


Bioorg Med Chem Lett 13: 479-83 (2003)


Article DOI: 10.1016/s0960-894x(02)00985-x
BindingDB Entry DOI: 10.7270/Q2F76BXK
More data for this
Ligand-Target Pair
Estrogen receptor


(RAT)
BDBM50123209
PNG
(5'-(2-hexahydro-1-pyridinylethoxy)-2-(4-hydroxyphe...)
Show SMILES Oc1ccc(cc1)C1=Cc2cc(O)ccc2C11Cc2ccc(OCCN3CCCCC3)cc2C1
Show InChI InChI=1/C30H31NO3/c32-25-7-4-21(5-8-25)29-18-23-16-26(33)9-11-28(23)30(29)19-22-6-10-27(17-24(22)20-30)34-15-14-31-12-2-1-3-13-31/h4-11,16-18,32-33H,1-3,12-15,19-20H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Rat Estrogen receptor-alpha


Bioorg Med Chem Lett 13: 479-83 (2003)


Article DOI: 10.1016/s0960-894x(02)00985-x
BindingDB Entry DOI: 10.7270/Q2F76BXK
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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n/an/a 1.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Human Estrogen receptor-alpha


Bioorg Med Chem Lett 13: 479-83 (2003)


Article DOI: 10.1016/s0960-894x(02)00985-x
BindingDB Entry DOI: 10.7270/Q2F76BXK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50123209
PNG
(5'-(2-hexahydro-1-pyridinylethoxy)-2-(4-hydroxyphe...)
Show SMILES Oc1ccc(cc1)C1=Cc2cc(O)ccc2C11Cc2ccc(OCCN3CCCCC3)cc2C1
Show InChI InChI=1/C30H31NO3/c32-25-7-4-21(5-8-25)29-18-23-16-26(33)9-11-28(23)30(29)19-22-6-10-27(17-24(22)20-30)34-15-14-31-12-2-1-3-13-31/h4-11,16-18,32-33H,1-3,12-15,19-20H2
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n/an/a 1.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Human Estrogen receptor-beta


Bioorg Med Chem Lett 13: 479-83 (2003)


Article DOI: 10.1016/s0960-894x(02)00985-x
BindingDB Entry DOI: 10.7270/Q2F76BXK
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50123205
PNG
(2-(4-hydroxyphenyl)-1,2'-spirobi[1H-indene]-5-ol |...)
Show SMILES Oc1ccc(cc1)C1=Cc2cc(O)ccc2C11Cc2ccccc2C1
Show InChI InChI=1S/C23H18O2/c24-19-7-5-15(6-8-19)22-12-18-11-20(25)9-10-21(18)23(22)13-16-3-1-2-4-17(16)14-23/h1-12,24-25H,13-14H2
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n/an/a 2.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Human Estrogen receptor-beta


Bioorg Med Chem Lett 13: 479-83 (2003)


Article DOI: 10.1016/s0960-894x(02)00985-x
BindingDB Entry DOI: 10.7270/Q2F76BXK
More data for this
Ligand-Target Pair
Estrogen receptor


(RAT)
BDBM50123208
PNG
(2-(4-hydroxyphenyl)-3-methyl-1,2'-spirobi[1H-inden...)
Show SMILES CC1=C(c2ccc(O)cc2)C2(Cc3ccccc3C2)c2ccc(O)cc12
Show InChI InChI=1S/C24H20O2/c1-15-21-12-20(26)10-11-22(21)24(13-17-4-2-3-5-18(17)14-24)23(15)16-6-8-19(25)9-7-16/h2-12,25-26H,13-14H2,1H3
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n/an/a 2.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Rat Estrogen receptor-alpha


Bioorg Med Chem Lett 13: 479-83 (2003)


Article DOI: 10.1016/s0960-894x(02)00985-x
BindingDB Entry DOI: 10.7270/Q2F76BXK
More data for this
Ligand-Target Pair
Estrogen receptor


(Rattus norvegicus)
BDBM50123209
PNG
(5'-(2-hexahydro-1-pyridinylethoxy)-2-(4-hydroxyphe...)
Show SMILES Oc1ccc(cc1)C1=Cc2cc(O)ccc2C11Cc2ccc(OCCN3CCCCC3)cc2C1
Show InChI InChI=1/C30H31NO3/c32-25-7-4-21(5-8-25)29-18-23-16-26(33)9-11-28(23)30(29)19-22-6-10-27(17-24(22)20-30)34-15-14-31-12-2-1-3-13-31/h4-11,16-18,32-33H,1-3,12-15,19-20H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity foor Rat Estrogen receptor-beta


Bioorg Med Chem Lett 13: 479-83 (2003)


Article DOI: 10.1016/s0960-894x(02)00985-x
BindingDB Entry DOI: 10.7270/Q2F76BXK
More data for this
Ligand-Target Pair
Estrogen receptor


(Rattus norvegicus)
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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n/an/a 3.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity foor Rat Estrogen receptor-beta


Bioorg Med Chem Lett 13: 479-83 (2003)


Article DOI: 10.1016/s0960-894x(02)00985-x
BindingDB Entry DOI: 10.7270/Q2F76BXK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))
BDBM50123205
PNG
(2-(4-hydroxyphenyl)-1,2'-spirobi[1H-indene]-5-ol |...)
Show SMILES Oc1ccc(cc1)C1=Cc2cc(O)ccc2C11Cc2ccccc2C1
Show InChI InChI=1S/C23H18O2/c24-19-7-5-15(6-8-19)22-12-18-11-20(25)9-10-21(18)23(22)13-16-3-1-2-4-17(16)14-23/h1-12,24-25H,13-14H2
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n/an/a 4.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Human Estrogen receptor-alpha


Bioorg Med Chem Lett 13: 479-83 (2003)


Article DOI: 10.1016/s0960-894x(02)00985-x
BindingDB Entry DOI: 10.7270/Q2F76BXK
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50123208
PNG
(2-(4-hydroxyphenyl)-3-methyl-1,2'-spirobi[1H-inden...)
Show SMILES CC1=C(c2ccc(O)cc2)C2(Cc3ccccc3C2)c2ccc(O)cc12
Show InChI InChI=1S/C24H20O2/c1-15-21-12-20(26)10-11-22(21)24(13-17-4-2-3-5-18(17)14-24)23(15)16-6-8-19(25)9-7-16/h2-12,25-26H,13-14H2,1H3
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n/an/a 5.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Human Estrogen receptor-beta


Bioorg Med Chem Lett 13: 479-83 (2003)


Article DOI: 10.1016/s0960-894x(02)00985-x
BindingDB Entry DOI: 10.7270/Q2F76BXK
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50123207
PNG
(2-(3-hydroxyphenyl)-1,2'-spirobi[1H-indene]-6-ol |...)
Show SMILES Oc1ccc2C=C(c3cccc(O)c3)C3(Cc4ccccc4C3)c2c1
Show InChI InChI=1S/C23H18O2/c24-19-7-3-6-15(10-19)21-11-16-8-9-20(25)12-22(16)23(21)13-17-4-1-2-5-18(17)14-23/h1-12,24-25H,13-14H2
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n/an/a 12n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Human Estrogen receptor-beta


Bioorg Med Chem Lett 13: 479-83 (2003)


Article DOI: 10.1016/s0960-894x(02)00985-x
BindingDB Entry DOI: 10.7270/Q2F76BXK
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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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Human Estrogen receptor-beta


Bioorg Med Chem Lett 13: 479-83 (2003)


Article DOI: 10.1016/s0960-894x(02)00985-x
BindingDB Entry DOI: 10.7270/Q2F76BXK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor


(Rattus norvegicus)
BDBM50123207
PNG
(2-(3-hydroxyphenyl)-1,2'-spirobi[1H-indene]-6-ol |...)
Show SMILES Oc1ccc2C=C(c3cccc(O)c3)C3(Cc4ccccc4C3)c2c1
Show InChI InChI=1S/C23H18O2/c24-19-7-3-6-15(10-19)21-11-16-8-9-20(25)12-22(16)23(21)13-17-4-1-2-5-18(17)14-23/h1-12,24-25H,13-14H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity foor Rat Estrogen receptor-beta


Bioorg Med Chem Lett 13: 479-83 (2003)


Article DOI: 10.1016/s0960-894x(02)00985-x
BindingDB Entry DOI: 10.7270/Q2F76BXK
More data for this
Ligand-Target Pair
Estrogen receptor


(RAT)
BDBM50123207
PNG
(2-(3-hydroxyphenyl)-1,2'-spirobi[1H-indene]-6-ol |...)
Show SMILES Oc1ccc2C=C(c3cccc(O)c3)C3(Cc4ccccc4C3)c2c1
Show InChI InChI=1S/C23H18O2/c24-19-7-3-6-15(10-19)21-11-16-8-9-20(25)12-22(16)23(21)13-17-4-1-2-5-18(17)14-23/h1-12,24-25H,13-14H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Rat Estrogen receptor-alpha


Bioorg Med Chem Lett 13: 479-83 (2003)


Article DOI: 10.1016/s0960-894x(02)00985-x
BindingDB Entry DOI: 10.7270/Q2F76BXK
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50123208
PNG
(2-(4-hydroxyphenyl)-3-methyl-1,2'-spirobi[1H-inden...)
Show SMILES CC1=C(c2ccc(O)cc2)C2(Cc3ccccc3C2)c2ccc(O)cc12
Show InChI InChI=1S/C24H20O2/c1-15-21-12-20(26)10-11-22(21)24(13-17-4-2-3-5-18(17)14-24)23(15)16-6-8-19(25)9-7-16/h2-12,25-26H,13-14H2,1H3
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n/an/a 19n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Human Estrogen receptor-alpha


Bioorg Med Chem Lett 13: 479-83 (2003)


Article DOI: 10.1016/s0960-894x(02)00985-x
BindingDB Entry DOI: 10.7270/Q2F76BXK
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50123211
PNG
(2-phenyl-1,2'-spirobi[1H-indene]-5-ol | CHEMBL1448...)
Show SMILES Oc1ccc2c(C=C(c3ccccc3)C22Cc3ccccc3C2)c1
Show InChI InChI=1S/C23H18O/c24-20-10-11-21-19(12-20)13-22(16-6-2-1-3-7-16)23(21)14-17-8-4-5-9-18(17)15-23/h1-13,24H,14-15H2
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n/an/a 21n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Human Estrogen receptor-beta


Bioorg Med Chem Lett 13: 479-83 (2003)


Article DOI: 10.1016/s0960-894x(02)00985-x
BindingDB Entry DOI: 10.7270/Q2F76BXK
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50123206
PNG
(2-(3-hydroxyphenyl)-1,2'-spirobi[1H-indene]-5-ol |...)
Show SMILES Oc1ccc2c(C=C(c3cccc(O)c3)C22Cc3ccccc3C2)c1
Show InChI InChI=1S/C23H18O2/c24-19-7-3-6-15(10-19)22-12-18-11-20(25)8-9-21(18)23(22)13-16-4-1-2-5-17(16)14-23/h1-12,24-25H,13-14H2
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n/an/a 23n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Human Estrogen receptor-beta


Bioorg Med Chem Lett 13: 479-83 (2003)


Article DOI: 10.1016/s0960-894x(02)00985-x
BindingDB Entry DOI: 10.7270/Q2F76BXK
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50123211
PNG
(2-phenyl-1,2'-spirobi[1H-indene]-5-ol | CHEMBL1448...)
Show SMILES Oc1ccc2c(C=C(c3ccccc3)C22Cc3ccccc3C2)c1
Show InChI InChI=1S/C23H18O/c24-20-10-11-21-19(12-20)13-22(16-6-2-1-3-7-16)23(21)14-17-8-4-5-9-18(17)15-23/h1-13,24H,14-15H2
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n/an/a 24n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Human Estrogen receptor-alpha


Bioorg Med Chem Lett 13: 479-83 (2003)


Article DOI: 10.1016/s0960-894x(02)00985-x
BindingDB Entry DOI: 10.7270/Q2F76BXK
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50123206
PNG
(2-(3-hydroxyphenyl)-1,2'-spirobi[1H-indene]-5-ol |...)
Show SMILES Oc1ccc2c(C=C(c3cccc(O)c3)C22Cc3ccccc3C2)c1
Show InChI InChI=1S/C23H18O2/c24-19-7-3-6-15(10-19)22-12-18-11-20(25)8-9-21(18)23(22)13-16-4-1-2-5-17(16)14-23/h1-12,24-25H,13-14H2
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n/an/a 28n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Human Estrogen receptor-alpha


Bioorg Med Chem Lett 13: 479-83 (2003)


Article DOI: 10.1016/s0960-894x(02)00985-x
BindingDB Entry DOI: 10.7270/Q2F76BXK
More data for this
Ligand-Target Pair
Estrogen receptor


(Rattus norvegicus)
BDBM50123206
PNG
(2-(3-hydroxyphenyl)-1,2'-spirobi[1H-indene]-5-ol |...)
Show SMILES Oc1ccc2c(C=C(c3cccc(O)c3)C22Cc3ccccc3C2)c1
Show InChI InChI=1S/C23H18O2/c24-19-7-3-6-15(10-19)22-12-18-11-20(25)8-9-21(18)23(22)13-16-4-1-2-5-17(16)14-23/h1-12,24-25H,13-14H2
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n/an/a 29n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity foor Rat Estrogen receptor-beta


Bioorg Med Chem Lett 13: 479-83 (2003)


Article DOI: 10.1016/s0960-894x(02)00985-x
BindingDB Entry DOI: 10.7270/Q2F76BXK
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50123207
PNG
(2-(3-hydroxyphenyl)-1,2'-spirobi[1H-indene]-6-ol |...)
Show SMILES Oc1ccc2C=C(c3cccc(O)c3)C3(Cc4ccccc4C3)c2c1
Show InChI InChI=1S/C23H18O2/c24-19-7-3-6-15(10-19)21-11-16-8-9-20(25)12-22(16)23(21)13-17-4-1-2-5-18(17)14-23/h1-12,24-25H,13-14H2
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n/an/a 31n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Human Estrogen receptor-alpha


Bioorg Med Chem Lett 13: 479-83 (2003)


Article DOI: 10.1016/s0960-894x(02)00985-x
BindingDB Entry DOI: 10.7270/Q2F76BXK
More data for this
Ligand-Target Pair
Estrogen receptor


(RAT)
BDBM50123206
PNG
(2-(3-hydroxyphenyl)-1,2'-spirobi[1H-indene]-5-ol |...)
Show SMILES Oc1ccc2c(C=C(c3cccc(O)c3)C22Cc3ccccc3C2)c1
Show InChI InChI=1S/C23H18O2/c24-19-7-3-6-15(10-19)22-12-18-11-20(25)8-9-21(18)23(22)13-16-4-1-2-5-17(16)14-23/h1-12,24-25H,13-14H2
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n/an/a 34n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Rat Estrogen receptor-alpha


Bioorg Med Chem Lett 13: 479-83 (2003)


Article DOI: 10.1016/s0960-894x(02)00985-x
BindingDB Entry DOI: 10.7270/Q2F76BXK
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50123212
PNG
(2-phenyl-1,2'-spirobi[1H-indene]-5'-ol | CHEMBL439...)
Show SMILES Oc1ccc2CC3(Cc2c1)C(=Cc1ccccc31)c1ccccc1
Show InChI InChI=1/C23H18O/c24-20-11-10-18-14-23(15-19(18)12-20)21-9-5-4-8-17(21)13-22(23)16-6-2-1-3-7-16/h1-13,24H,14-15H2
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n/an/a 58n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Human Estrogen receptor-alpha


Bioorg Med Chem Lett 13: 479-83 (2003)


Article DOI: 10.1016/s0960-894x(02)00985-x
BindingDB Entry DOI: 10.7270/Q2F76BXK
More data for this
Ligand-Target Pair
Estrogen receptor


(RAT)
BDBM50123212
PNG
(2-phenyl-1,2'-spirobi[1H-indene]-5'-ol | CHEMBL439...)
Show SMILES Oc1ccc2CC3(Cc2c1)C(=Cc1ccccc31)c1ccccc1
Show InChI InChI=1/C23H18O/c24-20-11-10-18-14-23(15-19(18)12-20)21-9-5-4-8-17(21)13-22(23)16-6-2-1-3-7-16/h1-13,24H,14-15H2
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n/an/a 114n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Rat Estrogen receptor-alpha


Bioorg Med Chem Lett 13: 479-83 (2003)


Article DOI: 10.1016/s0960-894x(02)00985-x
BindingDB Entry DOI: 10.7270/Q2F76BXK
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50123212
PNG
(2-phenyl-1,2'-spirobi[1H-indene]-5'-ol | CHEMBL439...)
Show SMILES Oc1ccc2CC3(Cc2c1)C(=Cc1ccccc31)c1ccccc1
Show InChI InChI=1/C23H18O/c24-20-11-10-18-14-23(15-19(18)12-20)21-9-5-4-8-17(21)13-22(23)16-6-2-1-3-7-16/h1-13,24H,14-15H2
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n/an/a 429n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Human Estrogen receptor-beta


Bioorg Med Chem Lett 13: 479-83 (2003)


Article DOI: 10.1016/s0960-894x(02)00985-x
BindingDB Entry DOI: 10.7270/Q2F76BXK
More data for this
Ligand-Target Pair
Estrogen receptor


(Rattus norvegicus)
BDBM50123212
PNG
(2-phenyl-1,2'-spirobi[1H-indene]-5'-ol | CHEMBL439...)
Show SMILES Oc1ccc2CC3(Cc2c1)C(=Cc1ccccc31)c1ccccc1
Show InChI InChI=1/C23H18O/c24-20-11-10-18-14-23(15-19(18)12-20)21-9-5-4-8-17(21)13-22(23)16-6-2-1-3-7-16/h1-13,24H,14-15H2
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n/an/a 1.07E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity foor Rat Estrogen receptor-beta


Bioorg Med Chem Lett 13: 479-83 (2003)


Article DOI: 10.1016/s0960-894x(02)00985-x
BindingDB Entry DOI: 10.7270/Q2F76BXK
More data for this
Ligand-Target Pair
Estrogen receptor


(RAT)
BDBM50123210
PNG
(2-phenyl-1,2'-spirobi[1H-indene] | CHEMBL345000)
Show SMILES C1c2ccccc2CC11C(=Cc2ccccc12)c1ccccc1
Show InChI InChI=1S/C23H18/c1-2-8-17(9-3-1)22-14-18-10-6-7-13-21(18)23(22)15-19-11-4-5-12-20(19)16-23/h1-14H,15-16H2
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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 for Rat Estrogen receptor-alpha


Bioorg Med Chem Lett 13: 479-83 (2003)


Article DOI: 10.1016/s0960-894x(02)00985-x
BindingDB Entry DOI: 10.7270/Q2F76BXK
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50123210
PNG
(2-phenyl-1,2'-spirobi[1H-indene] | CHEMBL345000)
Show SMILES C1c2ccccc2CC11C(=Cc2ccccc12)c1ccccc1
Show InChI InChI=1S/C23H18/c1-2-8-17(9-3-1)22-14-18-10-6-7-13-21(18)23(22)15-19-11-4-5-12-20(19)16-23/h1-14H,15-16H2
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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 for Human Estrogen receptor-beta


Bioorg Med Chem Lett 13: 479-83 (2003)


Article DOI: 10.1016/s0960-894x(02)00985-x
BindingDB Entry DOI: 10.7270/Q2F76BXK
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50123210
PNG
(2-phenyl-1,2'-spirobi[1H-indene] | CHEMBL345000)
Show SMILES C1c2ccccc2CC11C(=Cc2ccccc12)c1ccccc1
Show InChI InChI=1S/C23H18/c1-2-8-17(9-3-1)22-14-18-10-6-7-13-21(18)23(22)15-19-11-4-5-12-20(19)16-23/h1-14H,15-16H2
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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 for Human Estrogen receptor-alpha


Bioorg Med Chem Lett 13: 479-83 (2003)


Article DOI: 10.1016/s0960-894x(02)00985-x
BindingDB Entry DOI: 10.7270/Q2F76BXK
More data for this
Ligand-Target Pair
Estrogen receptor


(Rattus norvegicus)
BDBM50123210
PNG
(2-phenyl-1,2'-spirobi[1H-indene] | CHEMBL345000)
Show SMILES C1c2ccccc2CC11C(=Cc2ccccc12)c1ccccc1
Show InChI InChI=1S/C23H18/c1-2-8-17(9-3-1)22-14-18-10-6-7-13-21(18)23(22)15-19-11-4-5-12-20(19)16-23/h1-14H,15-16H2
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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 foor Rat Estrogen receptor-beta


Bioorg Med Chem Lett 13: 479-83 (2003)


Article DOI: 10.1016/s0960-894x(02)00985-x
BindingDB Entry DOI: 10.7270/Q2F76BXK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%