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Patent code US10125135

Compile Data Set for Download or QSAR
Found 51 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


(Homo sapiens (Human))
BDBM299114
PNG
(Preparation of (6S,8S)-6-(2,6-difluoro-4-(2-(3-(fl...)
Show SMILES CC(C)(F)CN1[C@@H](Cc2c(ccc3[nH]ncc23)[C@@]1(C)c1c(F)cc(OCCN2CC(CF)C2)cc1F)C(F)F
Show InChI InChI=1S/C28H32F6N4O/c1-27(2,34)15-38-24(26(32)33)10-18-19-12-35-36-23(19)5-4-20(18)28(38,3)25-21(30)8-17(9-22(25)31)39-7-6-37-13-16(11-29)14-37/h4-5,8-9,12,16,24,26H,6-7,10-11,13-15H2,1-3H3,(H,35,36)/t24-,28-/m0/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha LBD (GST)) was assessed in competition assays us...


US Patent US10125135 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM299113
PNG
(Preparation of (6S,8S)-6-(2,6-difluoro-4-(2-(3-(fl...)
Show SMILES CC(C)(F)CN1[C@@H](Cc2c(ccc3[nH]ncc23)[C@H]1c1c(F)cc(OCCN2CC(CF)C2)cc1F)C(F)F
Show InChI InChI=1S/C27H30F6N4O/c1-27(2,33)14-37-23(26(31)32)9-18-17(3-4-22-19(18)11-34-35-22)25(37)24-20(29)7-16(8-21(24)30)38-6-5-36-12-15(10-28)13-36/h3-4,7-8,11,15,23,25-26H,5-6,9-10,12-14H2,1-2H3,(H,34,35)/t23-,25-/m0/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha LBD (GST)) was assessed in competition assays us...


US Patent US10125135 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM299149
PNG
((6S,8R)-6-(4-(2- (3- (difluoromethyl) azetidin-1- ...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(C)(C)F)c1c(F)cc(OCCN2CC(C2)C(F)F)cc1F
Show InChI InChI=1S/C27H31F5N4O/c1-15-8-19-18(4-5-23-20(19)11-33-34-23)25(36(15)14-27(2,3)32)24-21(28)9-17(10-22(24)29)37-7-6-35-12-16(13-35)26(30)31/h4-5,9-11,15-16,25-26H,6-8,12-14H2,1-3H3,(H,33,34)/t15-,25+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha LBD (GST)) was assessed in competition assays us...


US Patent US10125135 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM299143
PNG
((6R,8R)-6-(4-(2- (3- (fluoromethyl) azetidin-1- yl...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@](C)(N1CC1(F)COC1)c1ccc(OCCN2CC(CF)C2)cc1
Show InChI InChI=1S/C28H34F2N4O2/c1-19-11-23-24-13-31-32-26(24)8-7-25(23)27(2,34(19)16-28(30)17-35-18-28)21-3-5-22(6-4-21)36-10-9-33-14-20(12-29)15-33/h3-8,13,19-20H,9-12,14-18H2,1-2H3,(H,31,32)/t19-,27-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha LBD (GST)) was assessed in competition assays us...


US Patent US10125135 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM299144
PNG
((6S,8R)-6-(2,6- difluoro-4-(2-(3- (fluoromethyl) a...)
Show SMILES CC(C)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1c(F)cc(OCCN2CC(CF)C2)cc1F
Show InChI InChI=1S/C27H33F3N4O/c1-16(2)13-34-17(3)8-21-20(4-5-25-22(21)12-31-32-25)27(34)26-23(29)9-19(10-24(26)30)35-7-6-33-14-18(11-28)15-33/h4-5,9-10,12,16-18,27H,6-8,11,13-15H2,1-3H3,(H,31,32)/t17-,27+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha LBD (GST)) was assessed in competition assays us...


US Patent US10125135 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM299141
PNG
((6R,8R)-7-((1- fluorocyclo- propyl)methyl)- 6-(4-(...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@](C)(N1CC1(F)CC1)c1ccc(OCCN2CC(CF)C2)cc1
Show InChI InChI=1S/C28H34F2N4O/c1-19-13-23-24-15-31-32-26(24)8-7-25(23)27(2,34(19)18-28(30)9-10-28)21-3-5-22(6-4-21)35-12-11-33-16-20(14-29)17-33/h3-8,15,19-20H,9-14,16-18H2,1-2H3,(H,31,32)/t19-,27-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha LBD (GST)) was assessed in competition assays us...


US Patent US10125135 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM299148
PNG
(6-(2,6-difluoro- 4-(2-(3- (fluoromethyl) azetidin-...)
Show SMILES CC(C)(F)CN1C(c2ccc3[nH]ncc3c2CC1(C)C)c1c(F)cc(OCCN2CC(CF)C2)cc1F
Show InChI InChI=1S/C28H34F4N4O/c1-27(2,32)16-36-26(19-5-6-24-21(13-33-34-24)20(19)11-28(36,3)4)25-22(30)9-18(10-23(25)31)37-8-7-35-14-17(12-29)15-35/h5-6,9-10,13,17,26H,7-8,11-12,14-16H2,1-4H3,(H,33,34)
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha LBD (GST)) was assessed in competition assays us...


US Patent US10125135 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM299131
PNG
((6S,8R)-7-(2,3- difluoro-2- methylpropyl)-6- (4-(2...)
Show SMILES COc1cc(OCCN2CC(CF)C2)ccc1[C@H]1N(CC(C)(F)CF)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1S/C28H35F3N4O2/c1-18-10-23-21(6-7-25-24(23)13-32-33-25)27(35(18)17-28(2,31)16-30)22-5-4-20(11-26(22)36-3)37-9-8-34-14-19(12-29)15-34/h4-7,11,13,18-19,27H,8-10,12,14-17H2,1-3H3,(H,32,33)/t18-,27+,28?/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha LBD (GST)) was assessed in competition assays us...


US Patent US10125135 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM299158
PNG
(3,5-difluoro-4- ((6S,8R)-7-(2- fluoro-2- methylpro...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(C)(C)F)c1c(F)cc(NCCN2CC(CF)C2)cc1F
Show InChI InChI=1S/C27H33F4N5/c1-16-8-20-19(4-5-24-21(20)12-33-34-24)26(36(16)15-27(2,3)31)25-22(29)9-18(10-23(25)30)32-6-7-35-13-17(11-28)14-35/h4-5,9-10,12,16-17,26,32H,6-8,11,13-15H2,1-3H3,(H,33,34)/t16-,26+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha LBD (GST)) was assessed in competition assays us...


US Patent US10125135 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM299111
PNG
(US10125135, Example 1)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(C)(C)F)c1c(F)cc(OCCN2CC(CF)C2)cc1F
Show InChI InChI=1S/C27H32F4N4O/c1-16-8-20-19(4-5-24-21(20)12-32-33-24)26(35(16)15-27(2,3)31)25-22(29)9-18(10-23(25)30)36-7-6-34-13-17(11-28)14-34/h4-5,9-10,12,16-17,26H,6-8,11,13-15H2,1-3H3,(H,32,33)/t16-,26+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha LBD (GST)) was assessed in competition assays us...


US Patent US10125135 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM299136
PNG
((6S,8R)-7-(2,2- difluoropropyl)-6- (2-fluoro-4-(2-...)
Show SMILES COc1cc(OCCN2CC(CF)C2)cc(F)c1[C@H]1N(CC(C)(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1S/C27H32F4N4O2/c1-16-8-20-19(4-5-23-21(20)12-32-33-23)26(35(16)15-27(2,30)31)25-22(29)9-18(10-24(25)36-3)37-7-6-34-13-17(11-28)14-34/h4-5,9-10,12,16-17,26H,6-8,11,13-15H2,1-3H3,(H,32,33)/t16-,26+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha LBD (GST)) was assessed in competition assays us...


US Patent US10125135 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM299119
PNG
(Preparation of (6S,8R)-7-((l-fluorocyclopropyl)met...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC1(F)CC1)c1ccc(OCCN2CC(CF)C2)cn1
Show InChI InChI=1S/C26H31F2N5O/c1-17-10-21-20(3-5-23-22(21)13-30-31-23)25(33(17)16-26(28)6-7-26)24-4-2-19(12-29-24)34-9-8-32-14-18(11-27)15-32/h2-5,12-13,17-18,25H,6-11,14-16H2,1H3,(H,30,31)/t17-,25+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha LBD (GST)) was assessed in competition assays us...


US Patent US10125135 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM299122
PNG
((6S,8R)-7-(2,2- difluoropropyl)-6- (4-(2-(3- (fluo...)
Show SMILES COc1cc(OCCN2CC(CF)C2)ccc1[C@H]1N(CC(C)(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1S/C27H33F3N4O2/c1-17-10-22-20(6-7-24-23(22)13-31-32-24)26(34(17)16-27(2,29)30)21-5-4-19(11-25(21)35-3)36-9-8-33-14-18(12-28)15-33/h4-7,11,13,17-18,26H,8-10,12,14-16H2,1-3H3,(H,31,32)/t17-,26+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha LBD (GST)) was assessed in competition assays us...


US Patent US10125135 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM299142
PNG
((6R,8R)-6-(4- (2-(3- (fluoromethyl) azetidin-1- yl...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC1(F)COC1)c1ccc(OCCN2CC(CF)C2)cc1
Show InChI InChI=1S/C27H32F2N4O2/c1-18-10-23-22(6-7-25-24(23)12-30-31-25)26(33(18)15-27(29)16-34-17-27)20-2-4-21(5-3-20)35-9-8-32-13-19(11-28)14-32/h2-7,12,18-19,26H,8-11,13-17H2,1H3,(H,30,31)/t18-,26-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha LBD (GST)) was assessed in competition assays us...


US Patent US10125135 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM299112
PNG
(Preparation of (6S,8R)-6-(2,6-difluoro-4-(2-(3-(fl...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@](C)(N1CC(C)(C)F)c1c(F)cc(OCCN2CC(CF)C2)cc1F
Show InChI InChI=1S/C28H34F4N4O/c1-17-9-20-21-13-33-34-25(21)6-5-22(20)28(4,36(17)16-27(2,3)32)26-23(30)10-19(11-24(26)31)37-8-7-35-14-18(12-29)15-35/h5-6,10-11,13,17-18H,7-9,12,14-16H2,1-4H3,(H,33,34)/t17-,28+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha LBD (GST)) was assessed in competition assays us...


US Patent US10125135 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM299152
PNG
((6S,8R)-7-(2,2- difluoropropyl)- 6-(5-(2-(3- (fluo...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(C)(F)F)c1ccc(OCCN2CC(CF)C2)cn1
Show InChI InChI=1S/C25H30F3N5O/c1-16-9-20-19(4-6-22-21(20)12-30-31-22)24(33(16)15-25(2,27)28)23-5-3-18(11-29-23)34-8-7-32-13-17(10-26)14-32/h3-6,11-12,16-17,24H,7-10,13-15H2,1-2H3,(H,30,31)/t16-,24+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha LBD (GST)) was assessed in competition assays us...


US Patent US10125135 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM299139
PNG
((6R,8R)-6-(4-(2- (3- (fluoromethyl) azetidin-1- yl...)
Show SMILES CC(C)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(OCCN2CC(CF)C2)cc1
Show InChI InChI=1S/C27H35FN4O/c1-18(2)15-32-19(3)12-24-23(8-9-26-25(24)14-29-30-26)27(32)21-4-6-22(7-5-21)33-11-10-31-16-20(13-28)17-31/h4-9,14,18-20,27H,10-13,15-17H2,1-3H3,(H,29,30)/t19-,27-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha LBD (GST)) was assessed in competition assays us...


US Patent US10125135 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM299147
PNG
(6-(2,6-difluoro- 4-(2-(3- (fluoromethyl) azetidin-...)
Show SMILES CC(C)CN1C(c2ccc3[nH]ncc3c2CC1(C)C)c1c(F)cc(OCCN2CC(CF)C2)cc1F
Show InChI InChI=1S/C28H35F3N4O/c1-17(2)14-35-27(20-5-6-25-22(13-32-33-25)21(20)11-28(35,3)4)26-23(30)9-19(10-24(26)31)36-8-7-34-15-18(12-29)16-34/h5-6,9-10,13,17-18,27H,7-8,11-12,14-16H2,1-4H3,(H,32,33)
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha LBD (GST)) was assessed in competition assays us...


US Patent US10125135 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM299133
PNG
((6S,8R)-6-(4-(2- (3- (fluoromethyl) azetidin-1- yl...)
Show SMILES COc1cc(OCCN2CC(CF)C2)ccc1[C@H]1N(CC(F)(F)CF)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1S/C27H32F4N4O2/c1-17-9-22-20(5-6-24-23(22)12-32-33-24)26(35(17)16-27(30,31)15-29)21-4-3-19(10-25(21)36-2)37-8-7-34-13-18(11-28)14-34/h3-6,10,12,17-18,26H,7-9,11,13-16H2,1-2H3,(H,32,33)/t17-,26+/m1/s1
PDB

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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha LBD (GST)) was assessed in competition assays us...


US Patent US10125135 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM299131
PNG
((6S,8R)-7-(2,3- difluoro-2- methylpropyl)-6- (4-(2...)
Show SMILES COc1cc(OCCN2CC(CF)C2)ccc1[C@H]1N(CC(C)(F)CF)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1S/C28H35F3N4O2/c1-18-10-23-21(6-7-25-24(23)13-32-33-25)27(35(18)17-28(2,31)16-30)22-5-4-20(11-26(22)36-3)37-9-8-34-14-19(12-29)15-34/h4-7,11,13,18-19,27H,8-10,12,14-17H2,1-3H3,(H,32,33)/t18-,27+,28?/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha LBD (GST)) was assessed in competition assays us...


US Patent US10125135 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM299118
PNG
((6S,8R)-7-(2,2-difluoroethyl)-6-(4-(2-(3-(fluorome...)
Show SMILES COc1cc(OCCN2CC(CF)C2)ccc1[C@H]1N(CC(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1S/C26H31F3N4O2/c1-16-9-21-19(5-6-23-22(21)12-30-31-23)26(33(16)15-25(28)29)20-4-3-18(10-24(20)34-2)35-8-7-32-13-17(11-27)14-32/h3-6,10,12,16-17,25-26H,7-9,11,13-15H2,1-2H3,(H,30,31)/t16-,26+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha LBD (GST)) was assessed in competition assays us...


US Patent US10125135 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM299161
PNG
(Preparation of (6S,8R)-6-(3-fluoro-5-(2-(3-(fluoro...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ncc(OCCN2CC(CF)C2)cc1F
Show InChI InChI=1S/C24H26F5N5O/c1-14-6-18-17(2-3-21-19(18)10-31-32-21)23(34(14)13-24(27,28)29)22-20(26)7-16(9-30-22)35-5-4-33-11-15(8-25)12-33/h2-3,7,9-10,14-15,23H,4-6,8,11-13H2,1H3,(H,31,32)/t14-,23+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha LBD (GST)) was assessed in competition assays us...


US Patent US10125135 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM299160
PNG
(Preparation of (6S,8R)-6-(5-(2-(3-(fluoromethyl)az...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)C(N1CC(F)(F)F)c1ccc(OCCN2CC(CF)C2)cn1
Show InChI InChI=1S/C24H27F4N5O/c1-15-8-19-18(3-5-21-20(19)11-30-31-21)23(33(15)14-24(26,27)28)22-4-2-17(10-29-22)34-7-6-32-12-16(9-25)13-32/h2-5,10-11,15-16,23H,6-9,12-14H2,1H3,(H,30,31)/t15-,23?/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha LBD (GST)) was assessed in competition assays us...


US Patent US10125135 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM299154
PNG
((6S,8R)-6-(2,6- difluoro-4-(2-(3- (fluoromethyl) a...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]nc(F)c23)[C@H](N1CC1(F)COC1)c1c(F)cc(OCCN2CC(CF)C2)cc1F
Show InChI InChI=1S/C27H29F5N4O2/c1-15-6-19-18(2-3-22-23(19)26(31)34-33-22)25(36(15)12-27(32)13-37-14-27)24-20(29)7-17(8-21(24)30)38-5-4-35-10-16(9-28)11-35/h2-3,7-8,15-16,25H,4-6,9-14H2,1H3,(H,33,34)/t15-,25+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha LBD (GST)) was assessed in competition assays us...


US Patent US10125135 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM299129
PNG
((6S,8R)-7-(2,3- difluoropropyl)- 6-(4-(2-(3- (fluo...)
Show SMILES COc1cc(OCCN2CC(CF)C2)ccc1[C@H]1N(CC(F)CF)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1S/C27H33F3N4O2/c1-17-9-23-21(5-6-25-24(23)13-31-32-25)27(34(17)16-19(30)12-29)22-4-3-20(10-26(22)35-2)36-8-7-33-14-18(11-28)15-33/h3-6,10,13,17-19,27H,7-9,11-12,14-16H2,1-2H3,(H,31,32)/t17-,19?,27+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha LBD (GST)) was assessed in competition assays us...


US Patent US10125135 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM299129
PNG
((6S,8R)-7-(2,3- difluoropropyl)- 6-(4-(2-(3- (fluo...)
Show SMILES COc1cc(OCCN2CC(CF)C2)ccc1[C@H]1N(CC(F)CF)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1S/C27H33F3N4O2/c1-17-9-23-21(5-6-25-24(23)13-31-32-25)27(34(17)16-19(30)12-29)22-4-3-20(10-26(22)35-2)36-8-7-33-14-18(11-28)15-33/h3-6,10,13,17-19,27H,7-9,11-12,14-16H2,1-2H3,(H,31,32)/t17-,19?,27+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha LBD (GST)) was assessed in competition assays us...


US Patent US10125135 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM299155
PNG
((6S,8R)-6-(2,6- difluoro-4-(2-(3- (fluoromethyl) a...)
Show SMILES CC(C)CN1[C@H](C)Cc2c(ccc3[nH]nc(F)c23)[C@H]1c1c(F)cc(OCCN2CC(CF)C2)cc1F
Show InChI InChI=1S/C27H32F4N4O/c1-15(2)12-35-16(3)8-20-19(4-5-23-24(20)27(31)33-32-23)26(35)25-21(29)9-18(10-22(25)30)36-7-6-34-13-17(11-28)14-34/h4-5,9-10,15-17,26H,6-8,11-14H2,1-3H3,(H,32,33)/t16-,26+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha LBD (GST)) was assessed in competition assays us...


US Patent US10125135 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM299138
PNG
((6S,8R)-6-(2- fluoro-4-(2-(3- (fluoromethyl) azeti...)
Show SMILES COc1cc(OCCN2CC(CF)C2)cc(F)c1[C@H]1N(CC(F)(F)CF)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1S/C27H31F5N4O2/c1-16-7-20-19(3-4-23-21(20)11-33-34-23)26(36(16)15-27(31,32)14-29)25-22(30)8-18(9-24(25)37-2)38-6-5-35-12-17(10-28)13-35/h3-4,8-9,11,16-17,26H,5-7,10,12-15H2,1-2H3,(H,33,34)/t16-,26+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha LBD (GST)) was assessed in competition assays us...


US Patent US10125135 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM299145
PNG
((6S,8R)-6-(2,6- difluoro-4-(2-(3- (fluoromethyl) a...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)CF)c1c(F)cc(OCCN2CC(CF)C2)cc1F
Show InChI InChI=1S/C26H29F5N4O/c1-15-6-20-19(2-3-24-21(20)11-32-33-24)26(35(15)14-17(29)10-28)25-22(30)7-18(8-23(25)31)36-5-4-34-12-16(9-27)13-34/h2-3,7-8,11,15-17,26H,4-6,9-10,12-14H2,1H3,(H,32,33)/t15-,17?,26+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha LBD (GST)) was assessed in competition assays us...


US Patent US10125135 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM299150
PNG
(2-((6S,8R)-7-((1- fluorocyclo- propyl)methyl)- 8-m...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC1(F)CC1)c1ccc(OCCN2CC(CF)C2)cc1C#N
Show InChI InChI=1S/C28H31F2N5O/c1-18-10-24-23(4-5-26-25(24)14-32-33-26)27(35(18)17-28(30)6-7-28)22-3-2-21(11-20(22)13-31)36-9-8-34-15-19(12-29)16-34/h2-5,11,14,18-19,27H,6-10,12,15-17H2,1H3,(H,32,33)/t18-,27-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha LBD (GST)) was assessed in competition assays us...


US Patent US10125135 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM299134
PNG
((6S,8R)-7-(2- fluoro-2- methylpropyl)-6- (2-methox...)
Show SMILES COc1cc(OCCN2CC(C)C2)ccc1[C@H]1N(CC(C)(C)F)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1S/C28H37FN4O2/c1-18-15-32(16-18)10-11-35-20-6-7-22(26(13-20)34-5)27-21-8-9-25-24(14-30-31-25)23(21)12-19(2)33(27)17-28(3,4)29/h6-9,13-14,18-19,27H,10-12,15-17H2,1-5H3,(H,30,31)/t19-,27+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha LBD (GST)) was assessed in competition assays us...


US Patent US10125135 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM299123
PNG
((6S,8R)-6-(4-(2- (3-(fluoromethyl) azetidin-1- yl)...)
Show SMILES COc1cc(OCCN2CC(CF)C2)ccc1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1S/C26H30F4N4O2/c1-16-9-21-19(5-6-23-22(21)12-31-32-23)25(34(16)15-26(28,29)30)20-4-3-18(10-24(20)35-2)36-8-7-33-13-17(11-27)14-33/h3-6,10,12,16-17,25H,7-9,11,13-15H2,1-2H3,(H,31,32)/t16-,25+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha LBD (GST)) was assessed in competition assays us...


US Patent US10125135 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM299115
PNG
(Preparation of (6S,8R)-7-(2-fluoro-2-methylpropyl)...)
Show SMILES COc1cc(OCCN2CC(CF)C2)ccc1[C@H]1N(CC(C)(C)F)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1S/C28H36F2N4O2/c1-18-11-23-21(7-8-25-24(23)14-31-32-25)27(34(18)17-28(2,3)30)22-6-5-20(12-26(22)35-4)36-10-9-33-15-19(13-29)16-33/h5-8,12,14,18-19,27H,9-11,13,15-17H2,1-4H3,(H,31,32)/t18-,27+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha LBD (GST)) was assessed in competition assays us...


US Patent US10125135 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM299125
PNG
(2,2-difluoro-3- ((6S,8R)-6-(4-(2- (3-(fluoromethyl...)
Show SMILES COc1cc(OCCN2CC(CF)C2)ccc1[C@H]1N(CC(F)(F)CO)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1S/C27H33F3N4O3/c1-17-9-22-20(5-6-24-23(22)12-31-32-24)26(34(17)15-27(29,30)16-35)21-4-3-19(10-25(21)36-2)37-8-7-33-13-18(11-28)14-33/h3-6,10,12,17-18,26,35H,7-9,11,13-16H2,1-2H3,(H,31,32)/t17-,26+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha LBD (GST)) was assessed in competition assays us...


US Patent US10125135 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM299124
PNG
((6S,8R)-6-(4-(2- (3-(fluoromethyl) azetidin-1- yl)...)
Show SMILES COc1cc(OCCN2CC(CF)C2)ccc1[C@H]1N(CC2(F)COC2)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1S/C28H34F2N4O3/c1-18-9-23-21(5-6-25-24(23)12-31-32-25)27(34(18)15-28(30)16-36-17-28)22-4-3-20(10-26(22)35-2)37-8-7-33-13-19(11-29)14-33/h3-6,10,12,18-19,27H,7-9,11,13-17H2,1-2H3,(H,31,32)/t18-,27+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha LBD (GST)) was assessed in competition assays us...


US Patent US10125135 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM299135
PNG
((6S,8R)-7-(2- fluoro-2- methylpropyl)-6- (2-methox...)
Show SMILES COC1CN(CCOc2ccc([C@H]3N(CC(C)(C)F)[C@H](C)Cc4c3ccc3[nH]ncc43)c(OC)c2)C1
Show InChI InChI=1S/C28H37FN4O3/c1-18-12-23-21(8-9-25-24(23)14-30-31-25)27(33(18)17-28(2,3)29)22-7-6-19(13-26(22)35-5)36-11-10-32-15-20(16-32)34-4/h6-9,13-14,18,20,27H,10-12,15-17H2,1-5H3,(H,30,31)/t18-,27+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha LBD (GST)) was assessed in competition assays us...


US Patent US10125135 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM299145
PNG
((6S,8R)-6-(2,6- difluoro-4-(2-(3- (fluoromethyl) a...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)CF)c1c(F)cc(OCCN2CC(CF)C2)cc1F
Show InChI InChI=1S/C26H29F5N4O/c1-15-6-20-19(2-3-24-21(20)11-32-33-24)26(35(15)14-17(29)10-28)25-22(30)7-18(8-23(25)31)36-5-4-34-12-16(9-27)13-34/h2-3,7-8,11,15-17,26H,4-6,9-10,12-14H2,1H3,(H,32,33)/t15-,17?,26+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha LBD (GST)) was assessed in competition assays us...


US Patent US10125135 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM299137
PNG
(2,2-difluoro-3- ((6S,8R)-6-(2- fluoro-4-(2-(3- (fl...)
Show SMILES COc1cc(OCCN2CC(CF)C2)cc(F)c1[C@H]1N(CC(F)(F)CO)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1S/C27H32F4N4O3/c1-16-7-20-19(3-4-23-21(20)11-32-33-23)26(35(16)14-27(30,31)15-36)25-22(29)8-18(9-24(25)37-2)38-6-5-34-12-17(10-28)13-34/h3-4,8-9,11,16-17,26,36H,5-7,10,12-15H2,1-2H3,(H,32,33)/t16-,26+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha LBD (GST)) was assessed in competition assays us...


US Patent US10125135 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM299127
PNG
((6S,8R)-7-(2- fluoro-3- methoxy-2- methylpropyl)-6...)
Show SMILES COCC(C)(F)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(OCCN2CC(CF)C2)cc1OC
Show InChI InChI=1S/C29H38F2N4O3/c1-19-11-24-22(7-8-26-25(24)14-32-33-26)28(35(19)17-29(2,31)18-36-3)23-6-5-21(12-27(23)37-4)38-10-9-34-15-20(13-30)16-34/h5-8,12,14,19-20,28H,9-11,13,15-18H2,1-4H3,(H,32,33)/t19-,28+,29?/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha LBD (GST)) was assessed in competition assays us...


US Patent US10125135 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM299159
PNG
((6S,8R)-7-(2,2- difluoroethyl)-6- (3-fluoro-5-(2-(...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)F)c1ncc(OCCN2CC(CF)C2)cc1F
Show InChI InChI=1S/C24H27F4N5O/c1-14-6-18-17(2-3-21-19(18)10-30-31-21)24(33(14)13-22(27)28)23-20(26)7-16(9-29-23)34-5-4-32-11-15(8-25)12-32/h2-3,7,9-10,14-15,22,24H,4-6,8,11-13H2,1H3,(H,30,31)/t14-,24+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha LBD (GST)) was assessed in competition assays us...


US Patent US10125135 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM299157
PNG
((6S,8R)-7-((1- fluorocyclo- propyl)methyl)- 6-(6-(...)
Show SMILES COc1nc(OCCN2CC(CF)C2)ccc1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1S/C27H33F2N5O2/c1-17-11-21-19(3-5-23-22(21)13-30-32-23)25(34(17)16-27(29)7-8-27)20-4-6-24(31-26(20)35-2)36-10-9-33-14-18(12-28)15-33/h3-6,13,17-18,25H,7-12,14-16H2,1-2H3,(H,30,32)/t17-,25+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha LBD (GST)) was assessed in competition assays us...


US Patent US10125135 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM299126
PNG
((6S,8R)-7-(2,2- difluoro-3- methoxypropyl)- 6-(4-(...)
Show SMILES COCC(F)(F)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(OCCN2CC(CF)C2)cc1OC
Show InChI InChI=1S/C28H35F3N4O3/c1-18-10-23-21(6-7-25-24(23)13-32-33-25)27(35(18)16-28(30,31)17-36-2)22-5-4-20(11-26(22)37-3)38-9-8-34-14-19(12-29)15-34/h4-7,11,13,18-19,27H,8-10,12,14-17H2,1-3H3,(H,32,33)/t18-,27+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha LBD (GST)) was assessed in competition assays us...


US Patent US10125135 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM299120
PNG
(Preparation of (6S,8R)-6-(4-(2-(3-(fluoromethyl)az...)
Show SMILES COc1cc(OCCN2CC(CF)C2)ccc1[C@H]1N(CC(C)C)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1S/C28H37FN4O2/c1-18(2)15-33-19(3)11-24-22(7-8-26-25(24)14-30-31-26)28(33)23-6-5-21(12-27(23)34-4)35-10-9-32-16-20(13-29)17-32/h5-8,12,14,18-20,28H,9-11,13,15-17H2,1-4H3,(H,30,31)/t19-,28+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha LBD (GST)) was assessed in competition assays us...


US Patent US10125135 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM299162
PNG
(Preparation of (6S,8R)-7-(2,2-difluoroethyl)-6-(5-...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)F)c1ccc(OCCN2CC(CF)C2)cn1
Show InChI InChI=1S/C24H28F3N5O/c1-15-8-19-18(3-5-21-20(19)11-29-30-21)24(32(15)14-23(26)27)22-4-2-17(10-28-22)33-7-6-31-12-16(9-25)13-31/h2-5,10-11,15-16,23-24H,6-9,12-14H2,1H3,(H,29,30)/t15-,24+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha LBD (GST)) was assessed in competition assays us...


US Patent US10125135 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM299153
PNG
(Preparation of (6-chloro-4-methoxypyridin-3-yl)met...)
Show SMILES COc1cc(OCCN2CC(CF)C2)ncc1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1S/C27H33F2N5O2/c1-17-9-20-19(3-4-23-21(20)13-31-32-23)26(34(17)16-27(29)5-6-27)22-12-30-25(10-24(22)35-2)36-8-7-33-14-18(11-28)15-33/h3-4,10,12-13,17-18,26H,5-9,11,14-16H2,1-2H3,(H,31,32)/t17-,26+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha LBD (GST)) was assessed in competition assays us...


US Patent US10125135 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM299156
PNG
(7-(2,2- difluoroethyl)- 6-(5-(2-(3- (fluoromethyl)...)
Show SMILES CC1(C)Cc2c(ccc3[nH]ncc23)C(N1CC(F)F)c1ccc(OCCN2CC(CF)C2)cn1
Show InChI InChI=1S/C25H30F3N5O/c1-25(2)9-19-18(4-6-21-20(19)12-30-31-21)24(33(25)15-23(27)28)22-5-3-17(11-29-22)34-8-7-32-13-16(10-26)14-32/h3-6,11-12,16,23-24H,7-10,13-15H2,1-2H3,(H,30,31)
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha LBD (GST)) was assessed in competition assays us...


US Patent US10125135 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM299121
PNG
(Preparation of (6S,8R)-7-(2,2-difluoro-3-methoxypr...)
Show SMILES COCC(F)(F)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(OCCN2CC(CF)C2)cn1
Show InChI InChI=1S/C26H32F3N5O2/c1-17-9-21-20(4-6-23-22(21)12-31-32-23)25(34(17)15-26(28,29)16-35-2)24-5-3-19(11-30-24)36-8-7-33-13-18(10-27)14-33/h3-6,11-12,17-18,25H,7-10,13-16H2,1-2H3,(H,31,32)/t17-,25+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha LBD (GST)) was assessed in competition assays us...


US Patent US10125135 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM299140
PNG
((6R,8R)-7-((1- fluorocyclo- propyl)methyl)- 6-(4-(...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC1(F)CC1)c1ccc(OCCN2CC(CF)C2)cc1
Show InChI InChI=1S/C27H32F2N4O/c1-18-12-23-22(6-7-25-24(23)14-30-31-25)26(33(18)17-27(29)8-9-27)20-2-4-21(5-3-20)34-11-10-32-15-19(13-28)16-32/h2-7,14,18-19,26H,8-13,15-17H2,1H3,(H,30,31)/t18-,26-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha LBD (GST)) was assessed in competition assays us...


US Patent US10125135 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM299151
PNG
((6S,8R)-6-(5-(2- (3-(fluoromethyl) azetidin-1- yl)...)
Show SMILES CC(C)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(OCCN2CC(CF)C2)cn1
Show InChI InChI=1S/C26H34FN5O/c1-17(2)14-32-18(3)10-22-21(5-7-24-23(22)13-29-30-24)26(32)25-6-4-20(12-28-25)33-9-8-31-15-19(11-27)16-31/h4-7,12-13,17-19,26H,8-11,14-16H2,1-3H3,(H,29,30)/t18-,26+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha LBD (GST)) was assessed in competition assays us...


US Patent US10125135 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM299127
PNG
((6S,8R)-7-(2- fluoro-3- methoxy-2- methylpropyl)-6...)
Show SMILES COCC(C)(F)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(OCCN2CC(CF)C2)cc1OC
Show InChI InChI=1S/C29H38F2N4O3/c1-19-11-24-22(7-8-26-25(24)14-32-33-26)28(35(19)17-29(2,31)18-36-3)23-6-5-21(12-27(23)37-4)38-10-9-34-15-20(13-30)16-34/h5-8,12,14,19-20,28H,9-11,13,15-18H2,1-4H3,(H,32,33)/t19-,28+,29?/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha LBD (GST)) was assessed in competition assays us...


US Patent US10125135 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM299117
PNG
(Preparation of (6S,8R)-7-((l-fluorocyclopropyl)met...)
Show SMILES COc1cc(OCCN2CC(CF)C2)ccc1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1S/C28H34F2N4O2/c1-18-11-23-21(5-6-25-24(23)14-31-32-25)27(34(18)17-28(30)7-8-28)22-4-3-20(12-26(22)35-2)36-10-9-33-15-19(13-29)16-33/h3-6,12,14,18-19,27H,7-11,13,15-17H2,1-2H3,(H,31,32)/t18-,27+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha LBD (GST)) was assessed in competition assays us...


US Patent US10125135 (2018)

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