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Patent code US9604931

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
Steroid hormone receptor ERR2


(Homo sapiens)
BDBM312140
PNG
(6,8-dihydroxy-2-(4-hydroxyphenyl)-4-(4-methoxyphen...)
Show SMILES COc1ccc(cc1)-c1cn(-c2ccc(O)cc2)c(=O)c2c(O)cc(O)cc12
Show InChI InChI=1S/C22H17NO5/c1-28-17-8-2-13(3-9-17)19-12-23(14-4-6-15(24)7-5-14)22(27)21-18(19)10-16(25)11-20(21)26/h2-12,24-26H,1H3
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US Patent
0.480n/an/an/an/an/an/an/an/a



GTx, Inc.; THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS

US Patent


Assay Description
Estrogen receptor (ERβ) binding affinity of the NRBAs was also determined using an in vitro competitive radioligand-binding assay with [3H]-estr...


US Patent US9604931 (2017)

More data for this
Ligand-Target Pair
Steroid hormone receptor ERR2


(Homo sapiens)
BDBM312151
PNG
((E)-6,8-dihydroxy-2-(4-hydroxyphenyl)-4-(prop-1-en...)
Show SMILES C\C=C\c1cn(-c2ccc(O)cc2)c(=O)c2c(O)cc(O)cc12
Show InChI InChI=1S/C18H15NO4/c1-2-3-11-10-19(12-4-6-13(20)7-5-12)18(23)17-15(11)8-14(21)9-16(17)22/h2-10,20-22H,1H3/b3-2+
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1.66n/an/an/an/an/an/an/an/a



GTx, Inc.; THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS

US Patent


Assay Description
Estrogen receptor (ERβ) binding affinity of the NRBAs was also determined using an in vitro competitive radioligand-binding assay with [3H]-estr...


US Patent US9604931 (2017)

More data for this
Ligand-Target Pair
Steroid hormone receptor ERR2


(Homo sapiens)
BDBM312133
PNG
(US9604931, 12z)
Show SMILES Oc1cc(O)c2c(c1)c(Br)cn(-c1ccc(O)c(F)c1)c2=O
Show InChI InChI=1S/C15H9BrFNO4/c16-10-6-18(7-1-2-12(20)11(17)3-7)15(22)14-9(10)4-8(19)5-13(14)21/h1-6,19-21H
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3n/an/an/an/an/an/an/an/a



GTx, Inc.; THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS

US Patent


Assay Description
Estrogen receptor (ERβ) binding affinity of the NRBAs was also determined using an in vitro competitive radioligand-binding assay with [3H]-estr...


US Patent US9604931 (2017)

More data for this
Ligand-Target Pair
Steroid hormone receptor ERR2


(Homo sapiens)
BDBM312096
PNG
(4-bromo-6,8-dihydroxy-2-(4-hydroxyphenyl)isoquinol...)
Show SMILES Oc1ccc(cc1)-n1cc(Br)c2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C15H10BrNO4/c16-12-7-17(8-1-3-9(18)4-2-8)15(21)14-11(12)5-10(19)6-13(14)20/h1-7,18-20H
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3n/an/an/an/an/an/an/an/a



GTx, Inc.; THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS

US Patent


Assay Description
Estrogen receptor (ERβ) binding affinity of the NRBAs was also determined using an in vitro competitive radioligand-binding assay with [3H]-estr...


US Patent US9604931 (2017)

More data for this
Ligand-Target Pair
Steroid hormone receptor ERR2


(Homo sapiens)
BDBM312149
PNG
(6,8-dihydroxy-2-(4-hydroxyphenyl)-4-(4-methoxyphen...)
Show SMILES Oc1ccc(cc1)-n1cc(-c2ccccc2)c2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C21H15NO4/c23-15-8-6-14(7-9-15)22-12-18(13-4-2-1-3-5-13)17-10-16(24)11-19(25)20(17)21(22)26/h1-12,23-25H
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3.03n/an/an/an/an/an/an/an/a



GTx, Inc.; THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS

US Patent


Assay Description
Estrogen receptor (ERβ) binding affinity of the NRBAs was also determined using an in vitro competitive radioligand-binding assay with [3H]-estr...


US Patent US9604931 (2017)

More data for this
Ligand-Target Pair
Steroid hormone receptor ERR2


(Homo sapiens)
BDBM312139
PNG
(2-(3-fluoro-4-hydroxyphenyl)-6,8-dihydroxy-4-vinyl...)
Show SMILES Oc1cc(O)c2c(c1)c(C=C)cn(-c1ccc(O)c(F)c1)c2=O
Show InChI InChI=1S/C17H12FNO4/c1-2-9-8-19(10-3-4-14(21)13(18)5-10)17(23)16-12(9)6-11(20)7-15(16)22/h2-8,20-22H,1H2
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3.96n/an/an/an/an/an/an/an/a



GTx, Inc.; THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS

US Patent


Assay Description
Estrogen receptor (ERβ) binding affinity of the NRBAs was also determined using an in vitro competitive radioligand-binding assay with [3H]-estr...


US Patent US9604931 (2017)

More data for this
Ligand-Target Pair
Steroid hormone receptor ERR2


(Homo sapiens)
BDBM312134
PNG
(4-bromo-6-methoxy-2-(4-methoxyphenyl)-1-oxo-1,2-di...)
Show SMILES COc1ccc(cc1)-n1cc(Br)c2cc(OC)cc(C#N)c2c1=O
Show InChI InChI=1S/C18H13BrN2O3/c1-23-13-5-3-12(4-6-13)21-10-16(19)15-8-14(24-2)7-11(9-20)17(15)18(21)22/h3-8,10H,1-2H3
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6n/an/an/an/an/an/an/an/a



GTx, Inc.; THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS

US Patent


Assay Description
Estrogen receptor (ERβ) binding affinity of the NRBAs was also determined using an in vitro competitive radioligand-binding assay with [3H]-estr...


US Patent US9604931 (2017)

More data for this
Ligand-Target Pair
Steroid hormone receptor ERR2


(Homo sapiens)
BDBM312135
PNG
(6,8-dihydroxy-2-(4-hydroxyphenyl)-1-oxo-1,2-dihydr...)
Show SMILES Oc1ccc(cc1)-n1cc(C#N)c2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C16H10N2O4/c17-7-9-8-18(10-1-3-11(19)4-2-10)16(22)15-13(9)5-12(20)6-14(15)21/h1-6,8,19-21H
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7n/an/an/an/an/an/an/an/a



GTx, Inc.; THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS

US Patent


Assay Description
Estrogen receptor (ERβ) binding affinity of the NRBAs was also determined using an in vitro competitive radioligand-binding assay with [3H]-estr...


US Patent US9604931 (2017)

More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM312096
PNG
(4-bromo-6,8-dihydroxy-2-(4-hydroxyphenyl)isoquinol...)
Show SMILES Oc1ccc(cc1)-n1cc(Br)c2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C15H10BrNO4/c16-12-7-17(8-1-3-9(18)4-2-8)15(21)14-11(12)5-10(19)6-13(14)20/h1-7,18-20H
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32n/an/an/an/an/an/an/an/a



GTx, Inc.; THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS

US Patent


Assay Description
Estrogen receptor (ERβ) binding affinity of the NRBAs was also determined using an in vitro competitive radioligand-binding assay with [3H]-estr...


US Patent US9604931 (2017)

More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM312133
PNG
(US9604931, 12z)
Show SMILES Oc1cc(O)c2c(c1)c(Br)cn(-c1ccc(O)c(F)c1)c2=O
Show InChI InChI=1S/C15H9BrFNO4/c16-10-6-18(7-1-2-12(20)11(17)3-7)15(22)14-9(10)4-8(19)5-13(14)21/h1-6,19-21H
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40n/an/an/an/an/an/an/an/a



GTx, Inc.; THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS

US Patent


Assay Description
Estrogen receptor (ERβ) binding affinity of the NRBAs was also determined using an in vitro competitive radioligand-binding assay with [3H]-estr...


US Patent US9604931 (2017)

More data for this
Ligand-Target Pair
Steroid hormone receptor ERR2


(Homo sapiens)
BDBM312136
PNG
(4-bromo-6-hydroxy-2-(4-hydroxyphenyl)-1-oxo-1,2-di...)
Show SMILES Oc1ccc(cc1)-n1cc(Br)c2cc(O)cc(C#N)c2c1=O
Show InChI InChI=1S/C16H9BrN2O3/c17-14-8-19(10-1-3-11(20)4-2-10)16(22)15-9(7-18)5-12(21)6-13(14)15/h1-6,8,20-21H
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46n/an/an/an/an/an/an/an/a



GTx, Inc.; THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS

US Patent


Assay Description
Estrogen receptor (ERβ) binding affinity of the NRBAs was also determined using an in vitro competitive radioligand-binding assay with [3H]-estr...


US Patent US9604931 (2017)

More data for this
Ligand-Target Pair
Steroid hormone receptor ERR2


(Homo sapiens)
BDBM310198
PNG
(4-bromo-6-hydroxy-2-(4-hydroxyphenyl)isoquinolin-1...)
Show SMILES Oc1ccc(cc1)-n1cc(Br)c2cc(O)ccc2c1=O
Show InChI InChI=1S/C15H10BrNO3/c16-14-8-17(9-1-3-10(18)4-2-9)15(20)12-6-5-11(19)7-13(12)14/h1-8,18-19H
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49n/an/an/an/an/an/an/an/a



GTx, Inc.; THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS

US Patent


Assay Description
Estrogen receptor (ERβ) binding affinity of the NRBAs was also determined using an in vitro competitive radioligand-binding assay with [3H]-estr...


US Patent US9604931 (2017)

More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM312140
PNG
(6,8-dihydroxy-2-(4-hydroxyphenyl)-4-(4-methoxyphen...)
Show SMILES COc1ccc(cc1)-c1cn(-c2ccc(O)cc2)c(=O)c2c(O)cc(O)cc12
Show InChI InChI=1S/C22H17NO5/c1-28-17-8-2-13(3-9-17)19-12-23(14-4-6-15(24)7-5-14)22(27)21-18(19)10-16(25)11-20(21)26/h2-12,24-26H,1H3
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70n/an/an/an/an/an/an/an/a



GTx, Inc.; THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS

US Patent


Assay Description
Estrogen receptor (ERβ) binding affinity of the NRBAs was also determined using an in vitro competitive radioligand-binding assay with [3H]-estr...


US Patent US9604931 (2017)

More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM312134
PNG
(4-bromo-6-methoxy-2-(4-methoxyphenyl)-1-oxo-1,2-di...)
Show SMILES COc1ccc(cc1)-n1cc(Br)c2cc(OC)cc(C#N)c2c1=O
Show InChI InChI=1S/C18H13BrN2O3/c1-23-13-5-3-12(4-6-13)21-10-16(19)15-8-14(24-2)7-11(9-20)17(15)18(21)22/h3-8,10H,1-2H3
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76n/an/an/an/an/an/an/an/a



GTx, Inc.; THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS

US Patent


Assay Description
Estrogen receptor (ERβ) binding affinity of the NRBAs was also determined using an in vitro competitive radioligand-binding assay with [3H]-estr...


US Patent US9604931 (2017)

More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM312135
PNG
(6,8-dihydroxy-2-(4-hydroxyphenyl)-1-oxo-1,2-dihydr...)
Show SMILES Oc1ccc(cc1)-n1cc(C#N)c2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C16H10N2O4/c17-7-9-8-18(10-1-3-11(19)4-2-10)16(22)15-13(9)5-12(20)6-14(15)21/h1-6,8,19-21H
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94n/an/an/an/an/an/an/an/a



GTx, Inc.; THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS

US Patent


Assay Description
Estrogen receptor (ERβ) binding affinity of the NRBAs was also determined using an in vitro competitive radioligand-binding assay with [3H]-estr...


US Patent US9604931 (2017)

More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM312151
PNG
((E)-6,8-dihydroxy-2-(4-hydroxyphenyl)-4-(prop-1-en...)
Show SMILES C\C=C\c1cn(-c2ccc(O)cc2)c(=O)c2c(O)cc(O)cc12
Show InChI InChI=1S/C18H15NO4/c1-2-3-11-10-19(12-4-6-13(20)7-5-12)18(23)17-15(11)8-14(21)9-16(17)22/h2-10,20-22H,1H3/b3-2+
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102n/an/an/an/an/an/an/an/a



GTx, Inc.; THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS

US Patent


Assay Description
Estrogen receptor (ERβ) binding affinity of the NRBAs was also determined using an in vitro competitive radioligand-binding assay with [3H]-estr...


US Patent US9604931 (2017)

More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM312149
PNG
(6,8-dihydroxy-2-(4-hydroxyphenyl)-4-(4-methoxyphen...)
Show SMILES Oc1ccc(cc1)-n1cc(-c2ccccc2)c2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C21H15NO4/c23-15-8-6-14(7-9-15)22-12-18(13-4-2-1-3-5-13)17-10-16(24)11-19(25)20(17)21(22)26/h1-12,23-25H
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124n/an/an/an/an/an/an/an/a



GTx, Inc.; THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS

US Patent


Assay Description
Estrogen receptor (ERβ) binding affinity of the NRBAs was also determined using an in vitro competitive radioligand-binding assay with [3H]-estr...


US Patent US9604931 (2017)

More data for this
Ligand-Target Pair
Steroid hormone receptor ERR2


(Homo sapiens)
BDBM312137
PNG
(6-hydroxy-2-(4-hydroxyphenyl)-4-phenylisoquinolin-...)
Show SMILES Oc1ccc(cc1)-n1cc(-c2ccccc2)c2cc(O)ccc2c1=O
Show InChI InChI=1S/C21H15NO3/c23-16-8-6-15(7-9-16)22-13-20(14-4-2-1-3-5-14)19-12-17(24)10-11-18(19)21(22)25/h1-13,23-24H
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130n/an/an/an/an/an/an/an/a



GTx, Inc.; THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS

US Patent


Assay Description
Estrogen receptor (ERβ) binding affinity of the NRBAs was also determined using an in vitro competitive radioligand-binding assay with [3H]-estr...


US Patent US9604931 (2017)

More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM312139
PNG
(2-(3-fluoro-4-hydroxyphenyl)-6,8-dihydroxy-4-vinyl...)
Show SMILES Oc1cc(O)c2c(c1)c(C=C)cn(-c1ccc(O)c(F)c1)c2=O
Show InChI InChI=1S/C17H12FNO4/c1-2-9-8-19(10-3-4-14(21)13(18)5-10)17(23)16-12(9)6-11(20)7-15(16)22/h2-8,20-22H,1H2
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205n/an/an/an/an/an/an/an/a



GTx, Inc.; THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS

US Patent


Assay Description
Estrogen receptor (ERβ) binding affinity of the NRBAs was also determined using an in vitro competitive radioligand-binding assay with [3H]-estr...


US Patent US9604931 (2017)

More data for this
Ligand-Target Pair
Steroid hormone receptor ERR2


(Homo sapiens)
BDBM312138
PNG
(6-hydroxy-2-(4-hydroxyphenol)-4-(4-methoxyphenyl)i...)
Show SMILES COc1ccc(cc1)-c1cn(-c2ccc(O)cc2)c(=O)c2ccc(O)cc12
Show InChI InChI=1S/C22H17NO4/c1-27-18-9-2-14(3-10-18)21-13-23(15-4-6-16(24)7-5-15)22(26)19-11-8-17(25)12-20(19)21/h2-13,24-25H,1H3
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252n/an/an/an/an/an/an/an/a



GTx, Inc.; THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS

US Patent


Assay Description
Estrogen receptor (ERβ) binding affinity of the NRBAs was also determined using an in vitro competitive radioligand-binding assay with [3H]-estr...


US Patent US9604931 (2017)

More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM312136
PNG
(4-bromo-6-hydroxy-2-(4-hydroxyphenyl)-1-oxo-1,2-di...)
Show SMILES Oc1ccc(cc1)-n1cc(Br)c2cc(O)cc(C#N)c2c1=O
Show InChI InChI=1S/C16H9BrN2O3/c17-14-8-19(10-1-3-11(20)4-2-10)16(22)15-9(7-18)5-12(21)6-13(14)15/h1-6,8,20-21H
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>394n/an/an/an/an/an/an/an/a



GTx, Inc.; THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS

US Patent


Assay Description
Estrogen receptor (ERβ) binding affinity of the NRBAs was also determined using an in vitro competitive radioligand-binding assay with [3H]-estr...


US Patent US9604931 (2017)

More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM310198
PNG
(4-bromo-6-hydroxy-2-(4-hydroxyphenyl)isoquinolin-1...)
Show SMILES Oc1ccc(cc1)-n1cc(Br)c2cc(O)ccc2c1=O
Show InChI InChI=1S/C15H10BrNO3/c16-14-8-17(9-1-3-10(18)4-2-9)15(20)12-6-5-11(19)7-13(12)14/h1-8,18-19H
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998n/an/an/an/an/an/an/an/a



GTx, Inc.; THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS

US Patent


Assay Description
Estrogen receptor (ERβ) binding affinity of the NRBAs was also determined using an in vitro competitive radioligand-binding assay with [3H]-estr...


US Patent US9604931 (2017)

More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM312137
PNG
(6-hydroxy-2-(4-hydroxyphenyl)-4-phenylisoquinolin-...)
Show SMILES Oc1ccc(cc1)-n1cc(-c2ccccc2)c2cc(O)ccc2c1=O
Show InChI InChI=1S/C21H15NO3/c23-16-8-6-15(7-9-16)22-13-20(14-4-2-1-3-5-14)19-12-17(24)10-11-18(19)21(22)25/h1-13,23-24H
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PC sid
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US Patent
1.78E+3n/an/an/an/an/an/an/an/a



GTx, Inc.; THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS

US Patent


Assay Description
Estrogen receptor (ERβ) binding affinity of the NRBAs was also determined using an in vitro competitive radioligand-binding assay with [3H]-estr...


US Patent US9604931 (2017)

More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM312138
PNG
(6-hydroxy-2-(4-hydroxyphenol)-4-(4-methoxyphenyl)i...)
Show SMILES COc1ccc(cc1)-c1cn(-c2ccc(O)cc2)c(=O)c2ccc(O)cc12
Show InChI InChI=1S/C22H17NO4/c1-27-18-9-2-14(3-10-18)21-13-23(15-4-6-16(24)7-5-15)22(26)19-11-8-17(25)12-20(19)21/h2-13,24-25H,1H3
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2.10E+3n/an/an/an/an/an/an/an/a



GTx, Inc.; THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS

US Patent


Assay Description
Estrogen receptor (ERβ) binding affinity of the NRBAs was also determined using an in vitro competitive radioligand-binding assay with [3H]-estr...


US Patent US9604931 (2017)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%