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Compile Data Set for Download or QSAR

Found 103 hits Enz. Inhib. hit(s) with all data for entry = 50025192   
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))
BDBM50154137
PNG
(3-(6-HYDROXY-NAPHTHALEN-2-YL)-BENZO[D]ISOOXAZOL-6-...)
Show SMILES Oc1ccc2c(noc2c1)-c1ccc2cc(O)ccc2c1
Show InChI InChI=1S/C17H11NO3/c19-13-4-3-10-7-12(2-1-11(10)8-13)17-15-6-5-14(20)9-16(15)21-18-17/h1-9,19-20H
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n/an/a 1.40n/an/an/an/an/an/a



Yantai University

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta (unknown origin)


Eur J Med Chem 43: 43-52 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.002
BindingDB Entry DOI: 10.7270/Q2WD40BT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50154088
PNG
(7-Bromo-2-(4-hydroxy-phenyl)-benzooxazol-5-ol | 7-...)
Show SMILES Oc1ccc(cc1)-c1nc2cc(O)cc(Br)c2o1
Show InChI InChI=1S/C13H8BrNO3/c14-10-5-9(17)6-11-12(10)18-13(15-11)7-1-3-8(16)4-2-7/h1-6,16-17H
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n/an/a 1.40n/an/an/an/an/an/a



Yantai University

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta (unknown origin)


Eur J Med Chem 43: 43-52 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.002
BindingDB Entry DOI: 10.7270/Q2WD40BT
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50242647
PNG
(7-bromo-2-(4-hydroxy-2-(trifluoromethyl)phenyl)ben...)
Show SMILES Oc1ccc(-c2nc3cc(O)cc(Br)c3o2)c(c1)C(F)(F)F
Show InChI InChI=1S/C14H7BrF3NO3/c15-10-4-7(21)5-11-12(10)22-13(19-11)8-2-1-6(20)3-9(8)14(16,17)18/h1-5,20-21H
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n/an/a 1.40n/an/an/an/an/an/a



Yantai University

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta (unknown origin)


Eur J Med Chem 43: 43-52 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.002
BindingDB Entry DOI: 10.7270/Q2WD40BT
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50154088
PNG
(7-Bromo-2-(4-hydroxy-phenyl)-benzooxazol-5-ol | 7-...)
Show SMILES Oc1ccc(cc1)-c1nc2cc(O)cc(Br)c2o1
Show InChI InChI=1S/C13H8BrNO3/c14-10-5-9(17)6-11-12(10)18-13(15-11)7-1-3-8(16)4-2-7/h1-6,16-17H
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n/an/a 1.40n/an/an/an/an/an/a



Yantai University

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta (unknown origin)


Eur J Med Chem 43: 43-52 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.002
BindingDB Entry DOI: 10.7270/Q2WD40BT
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50154048
PNG
(3-(5-Hydroxy-naphthalen-1-yl)-benzo[d]isoxazol-6-o...)
Show SMILES Oc1ccc2c(noc2c1)-c1cccc2c(O)cccc12
Show InChI InChI=1S/C17H11NO3/c19-10-7-8-14-16(9-10)21-18-17(14)13-5-1-4-12-11(13)3-2-6-15(12)20/h1-9,19-20H
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n/an/a 1.5n/an/an/an/an/an/a



Yantai University

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta (unknown origin)


Eur J Med Chem 43: 43-52 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.002
BindingDB Entry DOI: 10.7270/Q2WD40BT
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM20731
PNG
(4-bromo-6-(6-hydroxy-1,2-benzoxazol-3-yl)benzene-1...)
Show SMILES Oc1ccc2c(noc2c1)-c1cc(Br)c(O)cc1O
Show InChI InChI=1S/C13H8BrNO4/c14-9-4-8(10(17)5-11(9)18)13-7-2-1-6(16)3-12(7)19-15-13/h1-5,16-18H
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n/an/a 1.80n/an/an/an/an/an/a



Yantai University

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta (unknown origin)


Eur J Med Chem 43: 43-52 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.002
BindingDB Entry DOI: 10.7270/Q2WD40BT
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM20734
PNG
(4-chloro-6-(6-hydroxy-1,2-benzoxazol-3-yl)benzene-...)
Show SMILES Oc1ccc2c(noc2c1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C13H8ClNO4/c14-9-4-8(10(17)5-11(9)18)13-7-2-1-6(16)3-12(7)19-15-13/h1-5,16-18H
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n/an/a 2n/an/an/an/an/an/a



Yantai University

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta (unknown origin)


Eur J Med Chem 43: 43-52 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.002
BindingDB Entry DOI: 10.7270/Q2WD40BT
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50154140
PNG
(2-(2-Fluoro-4-hydroxy-phenyl)-7-vinyl-benzooxazol-...)
Show SMILES Oc1ccc(-c2nc3cc(O)cc(C=C)c3o2)c(F)c1
Show InChI InChI=1S/C15H10FNO3/c1-2-8-5-10(19)7-13-14(8)20-15(17-13)11-4-3-9(18)6-12(11)16/h2-7,18-19H,1H2
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n/an/a 2.20n/an/an/an/an/an/a



Yantai University

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta (unknown origin)


Eur J Med Chem 43: 43-52 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.002
BindingDB Entry DOI: 10.7270/Q2WD40BT
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50154064
PNG
(2-(2-Fluoro-4-hydroxy-phenyl)-5-hydroxy-benzooxazo...)
Show SMILES Oc1ccc(-c2nc3cc(O)cc(C#N)c3o2)c(F)c1
Show InChI InChI=1S/C14H7FN2O3/c15-11-4-8(18)1-2-10(11)14-17-12-5-9(19)3-7(6-16)13(12)20-14/h1-5,18-19H
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n/an/a 2.40n/an/an/an/an/an/a



Yantai University

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta (unknown origin)


Eur J Med Chem 43: 43-52 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.002
BindingDB Entry DOI: 10.7270/Q2WD40BT
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50154066
PNG
(4-(6-Hydroxy-benzooxazol-2-yl)-benzene-1,3-diol | ...)
Show SMILES Oc1ccc(-c2nc3ccc(O)cc3o2)c(O)c1
Show InChI InChI=1S/C13H9NO4/c15-7-1-3-9(11(17)5-7)13-14-10-4-2-8(16)6-12(10)18-13/h1-6,15-17H
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n/an/a 3n/an/an/an/an/an/a



Yantai University

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta (unknown origin)


Eur J Med Chem 43: 43-52 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.002
BindingDB Entry DOI: 10.7270/Q2WD40BT
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50154135
PNG
(2-(6-Hydroxy-naphthalen-1-yl)-benzooxazol-6-ol | 2...)
Show SMILES Oc1ccc2nc(oc2c1)-c1cccc2cc(O)ccc12
Show InChI InChI=1S/C17H11NO3/c19-11-4-6-13-10(8-11)2-1-3-14(13)17-18-15-7-5-12(20)9-16(15)21-17/h1-9,19-20H
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Yantai University

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta (unknown origin)


Eur J Med Chem 43: 43-52 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.002
BindingDB Entry DOI: 10.7270/Q2WD40BT
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50154084
PNG
(7-Bromo-2-(3-fluoro-4-hydroxy-phenyl)-benzooxazol-...)
Show SMILES Oc1cc(Br)c2oc(nc2c1)-c1ccc(O)c(F)c1
Show InChI InChI=1S/C13H7BrFNO3/c14-8-4-7(17)5-10-12(8)19-13(16-10)6-1-2-11(18)9(15)3-6/h1-5,17-18H
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n/an/a 3n/an/an/an/an/an/a



Yantai University

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta (unknown origin)


Eur J Med Chem 43: 43-52 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.002
BindingDB Entry DOI: 10.7270/Q2WD40BT
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50154073
PNG
(7-Allyl-2-(2-fluoro-4-hydroxy-phenyl)-benzooxazol-...)
Show SMILES Oc1ccc(-c2nc3cc(O)cc(CC=C)c3o2)c(F)c1
Show InChI InChI=1S/C16H12FNO3/c1-2-3-9-6-11(20)8-14-15(9)21-16(18-14)12-5-4-10(19)7-13(12)17/h2,4-8,19-20H,1,3H2
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n/an/a 3n/an/an/an/an/an/a



Yantai University

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta (unknown origin)


Eur J Med Chem 43: 43-52 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.002
BindingDB Entry DOI: 10.7270/Q2WD40BT
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50154111
PNG
(3-(4-Hydroxy-2,5-dipropyl-phenyl)-benzo[d]isoxazol...)
Show SMILES CCCc1cc(-c2noc3cc(O)ccc23)c(CCC)cc1O
Show InChI InChI=1S/C19H21NO3/c1-3-5-12-10-17(22)13(6-4-2)9-16(12)19-15-8-7-14(21)11-18(15)23-20-19/h7-11,21-22H,3-6H2,1-2H3
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n/an/a 3.10n/an/an/an/an/an/a



Yantai University

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta (unknown origin)


Eur J Med Chem 43: 43-52 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.002
BindingDB Entry DOI: 10.7270/Q2WD40BT
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50242648
PNG
(2-(3-fluoro-4-hydroxyphenyl)-7-(2-fluorovinyl)benz...)
Show SMILES Oc1cc(\C=C\F)c2oc(nc2c1)-c1ccc(O)c(F)c1
Show InChI InChI=1S/C15H9F2NO3/c16-4-3-8-5-10(19)7-12-14(8)21-15(18-12)9-1-2-13(20)11(17)6-9/h1-7,19-20H/b4-3+
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n/an/a 3.20n/an/an/an/an/an/a



Yantai University

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta (unknown origin)


Eur J Med Chem 43: 43-52 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.002
BindingDB Entry DOI: 10.7270/Q2WD40BT
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50154044
PNG
(2-(4-Hydroxy-phenyl)-7-vinyl-benzooxazol-5-ol | 2-...)
Show SMILES Oc1ccc(cc1)-c1nc2cc(O)cc(C=C)c2o1
Show InChI InChI=1S/C15H11NO3/c1-2-9-7-12(18)8-13-14(9)19-15(16-13)10-3-5-11(17)6-4-10/h2-8,17-18H,1H2
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n/an/a 3.5n/an/an/an/an/an/a



Yantai University

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta (unknown origin)


Eur J Med Chem 43: 43-52 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.002
BindingDB Entry DOI: 10.7270/Q2WD40BT
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50154119
PNG
(3-(2-Ethyl-4-hydroxy-5-propyl-phenyl)-benzo[d]isox...)
Show SMILES CCCc1cc(-c2noc3cc(O)ccc23)c(CC)cc1O
Show InChI InChI=1S/C18H19NO3/c1-3-5-12-8-15(11(4-2)9-16(12)21)18-14-7-6-13(20)10-17(14)22-19-18/h6-10,20-21H,3-5H2,1-2H3
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n/an/a 3.60n/an/an/an/an/an/a



Yantai University

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta (unknown origin)


Eur J Med Chem 43: 43-52 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.002
BindingDB Entry DOI: 10.7270/Q2WD40BT
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50154047
PNG
(2-(2,3-Difluoro-4-hydroxy-phenyl)-7-vinyl-benzooxa...)
Show SMILES Oc1cc(C=C)c2oc(nc2c1)-c1ccc(O)c(F)c1F
Show InChI InChI=1S/C15H9F2NO3/c1-2-7-5-8(19)6-10-14(7)21-15(18-10)9-3-4-11(20)13(17)12(9)16/h2-6,19-20H,1H2
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n/an/a 3.70n/an/an/an/an/an/a



Yantai University

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta (unknown origin)


Eur J Med Chem 43: 43-52 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.002
BindingDB Entry DOI: 10.7270/Q2WD40BT
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50154055
PNG
(2-(3-FLUORO-4-HYDROXYPHENYL)-7-VINYL-1,3-BENZOXAZO...)
Show SMILES Oc1cc(C=C)c2oc(nc2c1)-c1ccc(O)c(F)c1
Show InChI InChI=1S/C15H10FNO3/c1-2-8-5-10(18)7-12-14(8)20-15(17-12)9-3-4-13(19)11(16)6-9/h2-7,18-19H,1H2
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n/an/a 5n/an/an/an/an/an/a



Yantai University

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta (unknown origin)


Eur J Med Chem 43: 43-52 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.002
BindingDB Entry DOI: 10.7270/Q2WD40BT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50154062
PNG
(2-(5-HYDROXY-NAPHTHALEN-1-YL)-1,3-BENZOOXAZOL-6-OL...)
Show SMILES Oc1ccc2nc(oc2c1)-c1cccc2c(O)cccc12
Show InChI InChI=1S/C17H11NO3/c19-10-7-8-14-16(9-10)21-17(18-14)13-5-1-4-12-11(13)3-2-6-15(12)20/h1-9,19-20H
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n/an/a 5n/an/an/an/an/an/a



Yantai University

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta (unknown origin)


Eur J Med Chem 43: 43-52 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.002
BindingDB Entry DOI: 10.7270/Q2WD40BT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50154063
PNG
(4-(6-Hydroxy-benzo[d]isoxazol-3-yl)-6-methyl-benze...)
Show SMILES Cc1cc(-c2noc3cc(O)ccc23)c(O)cc1O
Show InChI InChI=1S/C14H11NO4/c1-7-4-10(12(18)6-11(7)17)14-9-3-2-8(16)5-13(9)19-15-14/h2-6,16-18H,1H3
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n/an/a 5n/an/an/an/an/an/a



Yantai University

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta (unknown origin)


Eur J Med Chem 43: 43-52 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.002
BindingDB Entry DOI: 10.7270/Q2WD40BT
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50154057
PNG
(2-(4-Hydroxy-phenyl)-benzooxazol-5-ol | 2-(4-hydro...)
Show SMILES Oc1ccc(cc1)-c1nc2cc(O)ccc2o1
Show InChI InChI=1S/C13H9NO3/c15-9-3-1-8(2-4-9)13-14-11-7-10(16)5-6-12(11)17-13/h1-7,15-16H
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n/an/a 6n/an/an/an/an/an/a



Yantai University

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta (unknown origin)


Eur J Med Chem 43: 43-52 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.002
BindingDB Entry DOI: 10.7270/Q2WD40BT
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50154057
PNG
(2-(4-Hydroxy-phenyl)-benzooxazol-5-ol | 2-(4-hydro...)
Show SMILES Oc1ccc(cc1)-c1nc2cc(O)ccc2o1
Show InChI InChI=1S/C13H9NO3/c15-9-3-1-8(2-4-9)13-14-11-7-10(16)5-6-12(11)17-13/h1-7,15-16H
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n/an/a 6n/an/an/an/an/an/a



Yantai University

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta (unknown origin)


Eur J Med Chem 43: 43-52 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.002
BindingDB Entry DOI: 10.7270/Q2WD40BT
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50154067
PNG
(2-(5-Hydroxy-7-methyl-naphthalen-1-yl)-benzooxazol...)
Show SMILES Cc1cc(O)c2cccc(-c3nc4ccc(O)cc4o3)c2c1
Show InChI InChI=1S/C18H13NO3/c1-10-7-14-12(16(21)8-10)3-2-4-13(14)18-19-15-6-5-11(20)9-17(15)22-18/h2-9,20-21H,1H3
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n/an/a 6n/an/an/an/an/an/a



Yantai University

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta (unknown origin)


Eur J Med Chem 43: 43-52 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.002
BindingDB Entry DOI: 10.7270/Q2WD40BT
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50154045
PNG
(5-Hydroxy-2-(4-hydroxy-phenyl)-benzooxazole-7-carb...)
Show SMILES Oc1ccc(cc1)-c1nc2cc(O)cc(C#N)c2o1
Show InChI InChI=1S/C14H8N2O3/c15-7-9-5-11(18)6-12-13(9)19-14(16-12)8-1-3-10(17)4-2-8/h1-6,17-18H
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n/an/a 6n/an/an/an/an/an/a



Yantai University

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta (unknown origin)


Eur J Med Chem 43: 43-52 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.002
BindingDB Entry DOI: 10.7270/Q2WD40BT
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50154108
PNG
(3-(3-Fluoro-4-hydroxy-phenyl)-benzo[d]isoxazol-6-o...)
Show SMILES Oc1ccc2c(noc2c1)-c1ccc(O)c(F)c1
Show InChI InChI=1S/C13H8FNO3/c14-10-5-7(1-4-11(10)17)13-9-3-2-8(16)6-12(9)18-15-13/h1-6,16-17H
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n/an/a 8n/an/an/an/an/an/a



Yantai University

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta (unknown origin)


Eur J Med Chem 43: 43-52 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.002
BindingDB Entry DOI: 10.7270/Q2WD40BT
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50154106
PNG
(3-(3-Chloro-4-hydroxy-phenyl)-benzo[d]isoxazol-6-o...)
Show SMILES Oc1ccc2c(noc2c1)-c1ccc(O)c(Cl)c1
Show InChI InChI=1S/C13H8ClNO3/c14-10-5-7(1-4-11(10)17)13-9-3-2-8(16)6-12(9)18-15-13/h1-6,16-17H
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n/an/a 10n/an/an/an/an/an/a



Yantai University

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta (unknown origin)


Eur J Med Chem 43: 43-52 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.002
BindingDB Entry DOI: 10.7270/Q2WD40BT
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50154118
PNG
(2-(4-Hydroxy-phenyl)-7-propyl-benzooxazol-5-ol | 2...)
Show SMILES CCCc1cc(O)cc2nc(oc12)-c1ccc(O)cc1
Show InChI InChI=1S/C16H15NO3/c1-2-3-11-8-13(19)9-14-15(11)20-16(17-14)10-4-6-12(18)7-5-10/h4-9,18-19H,2-3H2,1H3
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n/an/a 11n/an/an/an/an/an/a



Yantai University

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta (unknown origin)


Eur J Med Chem 43: 43-52 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.002
BindingDB Entry DOI: 10.7270/Q2WD40BT
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50154051
PNG
(5-Hydroxy-2-(6-hydroxy-benzo[d]isoxazol-3-yl)-benz...)
Show SMILES Oc1ccc(-c2noc3cc(O)ccc23)c(c1)C#N
Show InChI InChI=1S/C14H8N2O3/c15-7-8-5-9(17)1-3-11(8)14-12-4-2-10(18)6-13(12)19-16-14/h1-6,17-18H
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n/an/a 12n/an/an/an/an/an/a



Yantai University

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta (unknown origin)


Eur J Med Chem 43: 43-52 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.002
BindingDB Entry DOI: 10.7270/Q2WD40BT
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50154092
PNG
(3-(3-Bromo-4-hydroxy-phenyl)-benzo[d]isoxazol-6-ol...)
Show SMILES Oc1ccc2c(noc2c1)-c1ccc(O)c(Br)c1
Show InChI InChI=1S/C13H8BrNO3/c14-10-5-7(1-4-11(10)17)13-9-3-2-8(16)6-12(9)18-15-13/h1-6,16-17H
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n/an/a 12n/an/an/an/an/an/a



Yantai University

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta (unknown origin)


Eur J Med Chem 43: 43-52 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.002
BindingDB Entry DOI: 10.7270/Q2WD40BT
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50154043
PNG
(7-Ethyl-2-(4-hydroxy-phenyl)-benzooxazol-5-ol | 7-...)
Show SMILES CCc1cc(O)cc2nc(oc12)-c1ccc(O)cc1
Show InChI InChI=1S/C15H13NO3/c1-2-9-7-12(18)8-13-14(9)19-15(16-13)10-3-5-11(17)6-4-10/h3-8,17-18H,2H2,1H3
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n/an/a 13n/an/an/an/an/an/a



Yantai University

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta (unknown origin)


Eur J Med Chem 43: 43-52 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.002
BindingDB Entry DOI: 10.7270/Q2WD40BT
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50154139
PNG
(7-Allyl-2-(4-hydroxy-phenyl)-benzooxazol-5-ol | 7-...)
Show SMILES Oc1ccc(cc1)-c1nc2cc(O)cc(CC=C)c2o1
Show InChI InChI=1S/C16H13NO3/c1-2-3-11-8-13(19)9-14-15(11)20-16(17-14)10-4-6-12(18)7-5-10/h2,4-9,18-19H,1,3H2
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n/an/a 13n/an/an/an/an/an/a



Yantai University

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta (unknown origin)


Eur J Med Chem 43: 43-52 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.002
BindingDB Entry DOI: 10.7270/Q2WD40BT
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50154076
PNG
(7-Allyl-2-(3-fluoro-4-hydroxy-phenyl)-benzooxazol-...)
Show SMILES Oc1cc(CC=C)c2oc(nc2c1)-c1ccc(O)c(F)c1
Show InChI InChI=1S/C16H12FNO3/c1-2-3-9-6-11(19)8-13-15(9)21-16(18-13)10-4-5-14(20)12(17)7-10/h2,4-8,19-20H,1,3H2
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n/an/a 14n/an/an/an/an/an/a



Yantai University

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta (unknown origin)


Eur J Med Chem 43: 43-52 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.002
BindingDB Entry DOI: 10.7270/Q2WD40BT
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50154056
PNG
(2-(6-Hydroxy-naphthalen-1-yl)-benzooxazol-5-ol | 2...)
Show SMILES Oc1ccc2oc(nc2c1)-c1cccc2cc(O)ccc12
Show InChI InChI=1S/C17H11NO3/c19-11-4-6-13-10(8-11)2-1-3-14(13)17-18-15-9-12(20)5-7-16(15)21-17/h1-9,19-20H
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n/an/a 15n/an/an/an/an/an/a



Yantai University

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta (unknown origin)


Eur J Med Chem 43: 43-52 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.002
BindingDB Entry DOI: 10.7270/Q2WD40BT
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50154112
PNG
(7-Ethynyl-2-(4-hydroxy-phenyl)-benzooxazol-5-ol | ...)
Show SMILES Oc1ccc(cc1)-c1nc2cc(O)cc(C#C)c2o1
Show InChI InChI=1S/C15H9NO3/c1-2-9-7-12(18)8-13-14(9)19-15(16-13)10-3-5-11(17)6-4-10/h1,3-8,17-18H
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n/an/a 15n/an/an/an/an/an/a



Yantai University

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta (unknown origin)


Eur J Med Chem 43: 43-52 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.002
BindingDB Entry DOI: 10.7270/Q2WD40BT
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50154113
PNG
(6-Chloro-2-(4-hydroxy-phenyl)-benzooxazol-5-ol | 6...)
Show SMILES Oc1ccc(cc1)-c1nc2cc(O)c(Cl)cc2o1
Show InChI InChI=1S/C13H8ClNO3/c14-9-5-12-10(6-11(9)17)15-13(18-12)7-1-3-8(16)4-2-7/h1-6,16-17H
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n/an/a 16n/an/an/an/an/an/a



Yantai University

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta (unknown origin)


Eur J Med Chem 43: 43-52 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.002
BindingDB Entry DOI: 10.7270/Q2WD40BT
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50242651
PNG
(7-(2-bromovinyl)-2-(2-fluoro-4-hydroxyphenyl)benzo...)
Show SMILES Oc1ccc(-c2nc3cc(O)cc(\C=C\Br)c3o2)c(F)c1
Show InChI InChI=1S/C15H9BrFNO3/c16-4-3-8-5-10(20)7-13-14(8)21-15(18-13)11-2-1-9(19)6-12(11)17/h1-7,19-20H/b4-3+
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n/an/a 16n/an/an/an/an/an/a



Yantai University

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta (unknown origin)


Eur J Med Chem 43: 43-52 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.002
BindingDB Entry DOI: 10.7270/Q2WD40BT
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50154087
PNG
(3-(6-Hydroxy-naphthalen-1-yl)-benzo[d]isoxazol-6-o...)
Show SMILES Oc1ccc2c(noc2c1)-c1cccc2cc(O)ccc12
Show InChI InChI=1S/C17H11NO3/c19-11-4-6-13-10(8-11)2-1-3-14(13)17-15-7-5-12(20)9-16(15)21-18-17/h1-9,19-20H
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n/an/a 17n/an/an/an/an/an/a



Yantai University

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta (unknown origin)


Eur J Med Chem 43: 43-52 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.002
BindingDB Entry DOI: 10.7270/Q2WD40BT
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50154121
PNG
(3-(5-Hydroxy-naphthalen-2-yl)-benzo[d]isoxazol-6-o...)
Show SMILES Oc1ccc2c(noc2c1)-c1ccc2c(O)cccc2c1
Show InChI InChI=1S/C17H11NO3/c19-12-5-7-14-16(9-12)21-18-17(14)11-4-6-13-10(8-11)2-1-3-15(13)20/h1-9,19-20H
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n/an/a 20n/an/an/an/an/an/a



Yantai University

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta (unknown origin)


Eur J Med Chem 43: 43-52 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.002
BindingDB Entry DOI: 10.7270/Q2WD40BT
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50154100
PNG
(3-(4-Hydroxy-2-propyl-phenyl)-benzo[d]isoxazol-6-o...)
Show SMILES CCCc1cc(O)ccc1-c1noc2cc(O)ccc12
Show InChI InChI=1S/C16H15NO3/c1-2-3-10-8-11(18)4-6-13(10)16-14-7-5-12(19)9-15(14)20-17-16/h4-9,18-19H,2-3H2,1H3
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n/an/a 20n/an/an/an/an/an/a



Yantai University

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta (unknown origin)


Eur J Med Chem 43: 43-52 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.002
BindingDB Entry DOI: 10.7270/Q2WD40BT
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50154089
PNG
(3-(4-Hydroxy-3-propyl-phenyl)-benzo[d]isoxazol-6-o...)
Show SMILES CCCc1cc(ccc1O)-c1noc2cc(O)ccc12
Show InChI InChI=1S/C16H15NO3/c1-2-3-10-8-11(4-7-14(10)19)16-13-6-5-12(18)9-15(13)20-17-16/h4-9,18-19H,2-3H2,1H3
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n/an/a 25n/an/an/an/an/an/a



Yantai University

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta (unknown origin)


Eur J Med Chem 43: 43-52 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.002
BindingDB Entry DOI: 10.7270/Q2WD40BT
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50154109
PNG
(4-(5-Hydroxy-benzooxazol-2-yl)-benzene-1,3-diol | ...)
Show SMILES Oc1ccc(-c2nc3cc(O)ccc3o2)c(O)c1
Show InChI InChI=1S/C13H9NO4/c15-7-2-4-12-10(5-7)14-13(18-12)9-3-1-8(16)6-11(9)17/h1-6,15-17H
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n/an/a 25n/an/an/an/an/an/a



Yantai University

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta (unknown origin)


Eur J Med Chem 43: 43-52 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.002
BindingDB Entry DOI: 10.7270/Q2WD40BT
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50154085
PNG
(4-Bromo-2-(3-fluoro-4-hydroxy-phenyl)-7-vinyl-benz...)
Show SMILES Oc1ccc(cc1F)-c1nc2c(Br)c(O)cc(C=C)c2o1
Show InChI InChI=1S/C15H9BrFNO3/c1-2-7-6-11(20)12(16)13-14(7)21-15(18-13)8-3-4-10(19)9(17)5-8/h2-6,19-20H,1H2
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n/an/a 25n/an/an/an/an/an/a



Yantai University

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta (unknown origin)


Eur J Med Chem 43: 43-52 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.002
BindingDB Entry DOI: 10.7270/Q2WD40BT
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50154141
PNG
(2-(3-Fluoro-4-hydroxy-phenyl)-5-hydroxy-benzooxazo...)
Show SMILES Oc1cc(C#N)c2oc(nc2c1)-c1ccc(O)c(F)c1
Show InChI InChI=1S/C14H7FN2O3/c15-10-4-7(1-2-12(10)19)14-17-11-5-9(18)3-8(6-16)13(11)20-14/h1-5,18-19H
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n/an/a 26n/an/an/an/an/an/a



Yantai University

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta (unknown origin)


Eur J Med Chem 43: 43-52 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.002
BindingDB Entry DOI: 10.7270/Q2WD40BT
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50154074
PNG
(2-(4-Hydroxy-2-methyl-phenyl)-7-vinyl-benzooxazol-...)
Show SMILES Cc1cc(O)ccc1-c1nc2cc(O)cc(C=C)c2o1
Show InChI InChI=1S/C16H13NO3/c1-3-10-7-12(19)8-14-15(10)20-16(17-14)13-5-4-11(18)6-9(13)2/h3-8,18-19H,1H2,2H3
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n/an/a 27n/an/an/an/an/an/a



Yantai University

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta (unknown origin)


Eur J Med Chem 43: 43-52 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.002
BindingDB Entry DOI: 10.7270/Q2WD40BT
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50154086
PNG
(3-(4-Hydroxy-3-methyl-phenyl)-benzo[d]isoxazol-6-o...)
Show SMILES Cc1cc(ccc1O)-c1noc2cc(O)ccc12
Show InChI InChI=1S/C14H11NO3/c1-8-6-9(2-5-12(8)17)14-11-4-3-10(16)7-13(11)18-15-14/h2-7,16-17H,1H3
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n/an/a 31n/an/an/an/an/an/a



Yantai University

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta (unknown origin)


Eur J Med Chem 43: 43-52 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.002
BindingDB Entry DOI: 10.7270/Q2WD40BT
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50154138
PNG
(4-(6-Hydroxy-benzo[d]isoxazol-3-yl)-2-methyl-benze...)
Show SMILES Cc1c(O)ccc(-c2noc3cc(O)ccc23)c1O
Show InChI InChI=1S/C14H11NO4/c1-7-11(17)5-4-10(14(7)18)13-9-3-2-8(16)6-12(9)19-15-13/h2-6,16-18H,1H3
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n/an/a 33n/an/an/an/an/an/a



Yantai University

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta (unknown origin)


Eur J Med Chem 43: 43-52 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.002
BindingDB Entry DOI: 10.7270/Q2WD40BT
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50154081
PNG
(3-(4-Hydroxy-2-methyl-phenyl)-benzo[d]isoxazol-6-o...)
Show SMILES Cc1cc(O)ccc1-c1noc2cc(O)ccc12
Show InChI InChI=1S/C14H11NO3/c1-8-6-9(16)2-4-11(8)14-12-5-3-10(17)7-13(12)18-15-14/h2-7,16-17H,1H3
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n/an/a 37n/an/an/an/an/an/a



Yantai University

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta (unknown origin)


Eur J Med Chem 43: 43-52 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.002
BindingDB Entry DOI: 10.7270/Q2WD40BT
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50154080
PNG
(2-(3-Fluoro-4-hydroxy-phenyl)-benzooxazol-6-ol | 2...)
Show SMILES Oc1ccc2nc(oc2c1)-c1ccc(O)c(F)c1
Show InChI InChI=1S/C13H8FNO3/c14-9-5-7(1-4-11(9)17)13-15-10-3-2-8(16)6-12(10)18-13/h1-6,16-17H
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n/an/a 39n/an/an/an/an/an/a



Yantai University

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta (unknown origin)


Eur J Med Chem 43: 43-52 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.002
BindingDB Entry DOI: 10.7270/Q2WD40BT
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50154142
PNG
(7-(bromomethyl)-2-(4-hydroxyphenyl)benzo[d]oxazol-...)
Show SMILES Oc1ccc(cc1)-c1nc2cc(O)cc(CBr)c2o1
Show InChI InChI=1S/C14H10BrNO3/c15-7-9-5-11(18)6-12-13(9)19-14(16-12)8-1-3-10(17)4-2-8/h1-6,17-18H,7H2
PDB

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



Yantai University

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta (unknown origin)


Eur J Med Chem 43: 43-52 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.002
BindingDB Entry DOI: 10.7270/Q2WD40BT
More data for this
Ligand-Target Pair
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