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Patent code US10149839

Compile Data Set for Download or QSAR
Found 156 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))
BDBM306756
PNG
(Preparation of N-(2-((5-((1R,3R)-2-(2,2-Difluoropr...)
Show SMILES COc1cc(OCCNCCCF)ncc1[C@H]1N(CC(C)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1S/C26H33F3N4O2/c1-17-13-19-18-7-4-5-8-21(18)32-24(19)25(33(17)16-26(2,28)29)20-15-31-23(14-22(20)34-3)35-12-11-30-10-6-9-27/h4-5,7-8,14-15,17,25,30,32H,6,9-13,16H2,1-3H3/t17-,25-/m1/s1
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US Patent
n/an/a 0.0790n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306718
PNG
(N-(2-(3,5-difluoro-4-((1R,3R)-2-(2-fluoro-2-methyl...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(OCCNCCCF)cc1F
Show InChI InChI=1S/C27H33F4N3O/c1-17-13-20-19-7-4-5-8-23(19)33-25(20)26(34(17)16-27(2,3)31)24-21(29)14-18(15-22(24)30)35-12-11-32-10-6-9-28/h4-5,7-8,14-15,17,26,32-33H,6,9-13,16H2,1-3H3/t17-,26-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306731
PNG
(3-((1R,3R)-1- (2,6-difluoro- 4-(2-((3- fluoropropy...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(F)CO)c1c(F)cc(OCCNCCCF)cc1F
Show InChI InChI=1S/C27H33F4N3O2/c1-17-12-20-19-6-3-4-7-23(19)33-25(20)26(34(17)15-27(2,31)16-35)24-21(29)13-18(14-22(24)30)36-11-10-32-9-5-8-28/h3-4,6-7,13-14,17,26,32-33,35H,5,8-12,15-16H2,1-2H3/t17-,26-,27?/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306772
PNG
(2,2-difluoro-3- ((1R,3R)-1-(4- (2-((3- fluoropropy...)
Show SMILES COc1cc(OCCNCCCF)ccc1[C@H]1N(CC(F)(F)CO)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1S/C27H34F3N3O3/c1-18-14-22-20-6-3-4-7-23(20)32-25(22)26(33(18)16-27(29,30)17-34)21-9-8-19(15-24(21)35-2)36-13-12-31-11-5-10-28/h3-4,6-9,15,18,26,31-32,34H,5,10-14,16-17H2,1-2H3/t18-,26-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306764
PNG
(BDBM306765 | N-(2-(3,5- difluoro-4- ((1R,3R)-2-(2-...)
Show SMILES COCC(C)(F)CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)cc(OCCNCCCF)cc1F
Show InChI InChI=1S/C28H35F4N3O2/c1-18-13-21-20-7-4-5-8-24(20)34-26(21)27(35(18)16-28(2,32)17-36-3)25-22(30)14-19(15-23(25)31)37-12-11-33-10-6-9-29/h4-5,7-8,14-15,18,27,33-34H,6,9-13,16-17H2,1-3H3/t18-,27-,28?/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306760
PNG
(Preparation of 3-((1R,3R)-1-(2,6-difluoro-4-((2-((...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)cc(NCCNCCCF)cc1F
Show InChI InChI=1S/C26H31F5N4O/c1-16-11-19-18-5-2-3-6-22(18)34-24(19)25(35(16)14-26(30,31)15-36)23-20(28)12-17(13-21(23)29)33-10-9-32-8-4-7-27/h2-3,5-6,12-13,16,25,32-34,36H,4,7-11,14-15H2,1H3/t16-,25-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306787
PNG
(3-fluoro-N-(2- (3-methoxy-4- ((1R,3R)-3- methyl-2-...)
Show SMILES COc1cc(OCCNCCCF)ccc1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1S/C26H31F4N3O2/c1-17-14-21-19-6-3-4-7-22(19)32-24(21)25(33(17)16-26(28,29)30)20-9-8-18(15-23(20)34-2)35-13-12-31-11-5-10-27/h3-4,6-9,15,17,25,31-32H,5,10-14,16H2,1-2H3/t17-,25-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306724
PNG
(Preparation of 3-((1R,3R)-1-(2,6-difluoro-4-(2-((3...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)cc(OCCNCCCF)cc1F
Show InChI InChI=1S/C26H30F5N3O2/c1-16-11-19-18-5-2-3-6-22(18)33-24(19)25(34(16)14-26(30,31)15-35)23-20(28)12-17(13-21(23)29)36-10-9-32-8-4-7-27/h2-3,5-6,12-13,16,25,32-33,35H,4,7-11,14-15H2,1H3/t16-,25-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306768
PNG
(N1-(4- ((1R,3R)-2- (2,2- difluoroethyl)- 3-methyl-...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)F)c1c(F)cc(NCCNCCCF)cc1F
Show InChI InChI=1S/C25H29F5N4/c1-15-11-18-17-5-2-3-6-21(17)33-24(18)25(34(15)14-22(29)30)23-19(27)12-16(13-20(23)28)32-10-9-31-8-4-7-26/h2-3,5-6,12-13,15,22,25,31-33H,4,7-11,14H2,1H3/t15-,25-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306750
PNG
(Preparation of (6-chloro-4-methoxypyridin-3-yl)met...)
Show SMILES COc1cc(OCCNCCCF)ncc1[C@H]1N(CC(C)(C)F)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1S/C27H36F2N4O2/c1-18-14-20-19-8-5-6-9-22(19)32-25(20)26(33(18)17-27(2,3)29)21-16-31-24(15-23(21)34-4)35-13-12-30-11-7-10-28/h5-6,8-9,15-16,18,26,30,32H,7,10-14,17H2,1-4H3/t18-,26-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306788
PNG
(N-(2-(4- ((1R,3R)-2- (2,2-difluoro- propyl)-3- met...)
Show SMILES COc1cc(OCCNCCCF)ccc1[C@H]1N(CC(C)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1S/C27H34F3N3O2/c1-18-15-22-20-7-4-5-8-23(20)32-25(22)26(33(18)17-27(2,29)30)21-10-9-19(16-24(21)34-3)35-14-13-31-12-6-11-28/h4-5,7-10,16,18,26,31-32H,6,11-15,17H2,1-3H3/t18-,26-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306755
PNG
(Preparation of 3-Fluoro-N-(2-((4-methoxy-5-((1R,3R...)
Show SMILES COc1cc(OCCNCCCF)ncc1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1S/C25H30F4N4O2/c1-16-12-18-17-6-3-4-7-20(17)32-23(18)24(33(16)15-25(27,28)29)19-14-31-22(13-21(19)34-2)35-11-10-30-9-5-8-26/h3-4,6-7,13-14,16,24,30,32H,5,8-12,15H2,1-2H3/t16-,24-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306717
PNG
(N-(2-(3,5-difluoro-4-((1R,3R)-2-(2-fluoro-2-methyl...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(OCCNCCC(F)F)cc1F
Show InChI InChI=1S/C27H32F5N3O/c1-16-12-19-18-6-4-5-7-22(18)34-25(19)26(35(16)15-27(2,3)32)24-20(28)13-17(14-21(24)29)36-11-10-33-9-8-23(30)31/h4-7,13-14,16,23,26,33-34H,8-12,15H2,1-3H3/t16-,26-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306734
PNG
(3-(3,5- difluoro-4- ((1R,3R)-2-(2- fluoro-2-methyl...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(OCC(CO)NCCCF)cc1F
Show InChI InChI=1S/C28H35F4N3O2/c1-17-11-21-20-7-4-5-8-24(20)34-26(21)27(35(17)16-28(2,3)32)25-22(30)12-19(13-23(25)31)37-15-18(14-36)33-10-6-9-29/h4-5,7-8,12-13,17-18,27,33-34,36H,6,9-11,14-16H2,1-3H3/t17-,18?,27-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306757
PNG
(Preparation of N-(2-(4-((1R,3R)-2-(2,2-Difluoroeth...)
Show SMILES COc1cc(OCCNCCCF)ccc1[C@H]1N(CC(F)F)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1S/C26H32F3N3O2/c1-17-14-21-19-6-3-4-7-22(19)31-25(21)26(32(17)16-24(28)29)20-9-8-18(15-23(20)33-2)34-13-12-30-11-5-10-27/h3-4,6-9,15,17,24,26,30-31H,5,10-14,16H2,1-2H3/t17-,26-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306722
PNG
(Preparation of 3-fluoro-N-(2-(4-((1R,3R)-2-((3-flu...)
Show SMILES COc1cc(OCCNCCCF)ccc1[C@H]1N(CC2(F)COC2)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1S/C28H35F2N3O3/c1-19-14-23-21-6-3-4-7-24(21)32-26(23)27(33(19)16-28(30)17-35-18-28)22-9-8-20(15-25(22)34-2)36-13-12-31-11-5-10-29/h3-4,6-9,15,19,27,31-32H,5,10-14,16-18H2,1-2H3/t19-,27-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306758
PNG
(Preparation of N1-(3,5-difluoro-4-((1R,3R)-2-((3-f...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)COC1)c1c(F)cc(NCCNCCCF)cc1F
Show InChI InChI=1S/C27H32F4N4O/c1-17-11-20-19-5-2-3-6-23(19)34-25(20)26(35(17)14-27(31)15-36-16-27)24-21(29)12-18(13-22(24)30)33-10-9-32-8-4-7-28/h2-3,5-6,12-13,17,26,32-34H,4,7-11,14-16H2,1H3/t17-,26-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306754
PNG
(Preparation of N-(2-((5-((1R,3R)-2-(2,2-difluoroet...)
Show SMILES COc1cc(OCCNCCCF)ncc1[C@H]1N(CC(F)F)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1S/C25H31F3N4O2/c1-16-12-18-17-6-3-4-7-20(17)31-24(18)25(32(16)15-22(27)28)19-14-30-23(13-21(19)33-2)34-11-10-29-9-5-8-26/h3-4,6-7,13-14,16,22,25,29,31H,5,8-12,15H2,1-2H3/t16-,25-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306726
PNG
(N-(2-(4- ((1R,3R)-2- (2,2- difluoropropyl)- 3-meth...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(F)F)c1c(F)cc(OCCNCCCF)cc1F
Show InChI InChI=1S/C26H30F5N3O/c1-16-12-19-18-6-3-4-7-22(18)33-24(19)25(34(16)15-26(2,30)31)23-20(28)13-17(14-21(23)29)35-11-10-32-9-5-8-27/h3-4,6-7,13-14,16,25,32-33H,5,8-12,15H2,1-2H3/t16-,25-/m1/s1
PDB

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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306718
PNG
(N-(2-(3,5-difluoro-4-((1R,3R)-2-(2-fluoro-2-methyl...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(OCCNCCCF)cc1F
Show InChI InChI=1S/C27H33F4N3O/c1-17-13-20-19-7-4-5-8-23(19)33-25(20)26(34(17)16-27(2,3)31)24-21(29)14-18(15-22(24)30)35-12-11-32-10-6-9-28/h4-5,7-8,14-15,17,26,32-33H,6,9-13,16H2,1-3H3/t17-,26-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306769
PNG
(N-(2-(4- ((1R,3R)-2- (2,2-difluoro- propyl)-3- met...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(F)F)c1ccc(OCCNCCCF)cc1F
Show InChI InChI=1S/C26H31F4N3O/c1-17-14-21-19-6-3-4-7-23(19)32-24(21)25(33(17)16-26(2,29)30)20-9-8-18(15-22(20)28)34-13-12-31-11-5-10-27/h3-4,6-9,15,17,25,31-32H,5,10-14,16H2,1-2H3/t17-,25-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306778
PNG
(2,2-difluoro-3- ((1R,3R)-1-(6- (2-((3- fluoropropy...)
Show SMILES COc1cc(OCCNCCCF)ncc1[C@H]1N(CC(F)(F)CO)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1S/C26H33F3N4O3/c1-17-12-19-18-6-3-4-7-21(18)32-24(19)25(33(17)15-26(28,29)16-34)20-14-31-23(13-22(20)35-2)36-11-10-30-9-5-8-27/h3-4,6-7,13-14,17,25,30,32,34H,5,8-12,15-16H2,1-2H3/t17-,25-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306792
PNG
(US10149839, Example 78(NT)
Show SMILES COc1nc(NCCNCCCF)ccc1[C@H]1N(CC(C)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1S/C26H34F3N5O/c1-17-15-20-18-7-4-5-8-21(18)32-23(20)24(34(17)16-26(2,28)29)19-9-10-22(33-25(19)35-3)31-14-13-30-12-6-11-27/h4-5,7-10,17,24,30,32H,6,11-16H2,1-3H3,(H,31,33)/t17-,24-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306723
PNG
(Preparation of N1-(3,5-difluoro-4-((1R,3R)-2-((1-f...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)CC1)c1c(F)cc(NCCNCCCF)cc1F
Show InChI InChI=1S/C27H32F4N4/c1-17-13-20-19-5-2-3-6-23(19)34-25(20)26(35(17)16-27(31)7-8-27)24-21(29)14-18(15-22(24)30)33-12-11-32-10-4-9-28/h2-3,5-6,14-15,17,26,32-34H,4,7-13,16H2,1H3/t17-,26-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306775
PNG
(N1-(4- ((1R,3R)-2- (2,2- difluoroethyl)- 3-methyl-...)
Show SMILES COc1cc(NCCNCCCF)ccc1[C@H]1N(CC(F)F)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1S/C26H33F3N4O/c1-17-14-21-19-6-3-4-7-22(19)32-25(21)26(33(17)16-24(28)29)20-9-8-18(15-23(20)34-2)31-13-12-30-11-5-10-27/h3-4,6-9,15,17,24,26,30-32H,5,10-14,16H2,1-2H3/t17-,26-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306761
PNG
(Preparation of N1-(4-((1R,3R)-2-((3-fluorooxetan-3...)
Show SMILES COc1cc(NCCNCCCF)ccc1[C@H]1N(CC2(F)COC2)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1S/C28H36F2N4O2/c1-19-14-23-21-6-3-4-7-24(21)33-26(23)27(34(19)16-28(30)17-36-18-28)22-9-8-20(15-25(22)35-2)32-13-12-31-11-5-10-29/h3-4,6-9,15,19,27,31-33H,5,10-14,16-18H2,1-2H3/t19-,27-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306734
PNG
(3-(3,5- difluoro-4- ((1R,3R)-2-(2- fluoro-2-methyl...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(OCC(CO)NCCCF)cc1F
Show InChI InChI=1S/C28H35F4N3O2/c1-17-11-21-20-7-4-5-8-24(20)34-26(21)27(35(17)16-28(2,3)32)25-22(30)12-19(13-23(25)31)37-15-18(14-36)33-10-6-9-29/h4-5,7-8,12-13,17-18,27,33-34,36H,6,9-11,14-16H2,1-3H3/t17-,18?,27-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306773
PNG
(2,2-difluoro-3- ((1R,3R)-1-(4- ((2-((3- fluoroprop...)
Show SMILES COc1cc(NCCNCCCF)ccc1[C@H]1N(CC(F)(F)CO)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1S/C27H35F3N4O2/c1-18-14-22-20-6-3-4-7-23(20)33-25(22)26(34(18)16-27(29,30)17-35)21-9-8-19(15-24(21)36-2)32-13-12-31-11-5-10-28/h3-4,6-9,15,18,26,31-33,35H,5,10-14,16-17H2,1-2H3/t18-,26-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306763
PNG
(Preparation of N1-(4-((1R,3R)-2-(2,2-difluoroethyl...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)F)c1c(F)cc(cc1F)N(C)CCNCCCF
Show InChI InChI=1S/C26H31F5N4/c1-16-12-19-18-6-3-4-7-22(18)33-25(19)26(35(16)15-23(30)31)24-20(28)13-17(14-21(24)29)34(2)11-10-32-9-5-8-27/h3-4,6-7,13-14,16,23,26,32-33H,5,8-12,15H2,1-2H3/t16-,26-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306720
PNG
(N-(2-(3,5-difluoro-4-((1R,3R)-2-((1-fluorocyclopro...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)CC1)c1c(F)cc(OCCNCCCF)cc1F
Show InChI InChI=1S/C27H31F4N3O/c1-17-13-20-19-5-2-3-6-23(19)33-25(20)26(34(17)16-27(31)7-8-27)24-21(29)14-18(15-22(24)30)35-12-11-32-10-4-9-28/h2-3,5-6,14-15,17,26,32-33H,4,7-13,16H2,1H3/t17-,26-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306734
PNG
(3-(3,5- difluoro-4- ((1R,3R)-2-(2- fluoro-2-methyl...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(OCC(CO)NCCCF)cc1F
Show InChI InChI=1S/C28H35F4N3O2/c1-17-11-21-20-7-4-5-8-24(20)34-26(21)27(35(17)16-28(2,3)32)25-22(30)12-19(13-23(25)31)37-15-18(14-36)33-10-6-9-29/h4-5,7-8,12-13,17-18,27,33-34,36H,6,9-11,14-16H2,1-3H3/t17-,18?,27-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306762
PNG
(Preparation of N-(2-(4-((1R,3R)-2-(2,2-difluoroeth...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)F)c1ccc(OCCNCCCF)cc1F
Show InChI InChI=1S/C25H29F4N3O/c1-16-13-20-18-5-2-3-6-22(18)31-24(20)25(32(16)15-23(28)29)19-8-7-17(14-21(19)27)33-12-11-30-10-4-9-26/h2-3,5-8,14,16,23,25,30-31H,4,9-13,15H2,1H3/t16-,25-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306771
PNG
(N-(2-(4- ((1R,3R)-2- (2,2-difluoro- propyl)- 3-met...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(F)F)c1ccc(OCCNCCCF)cc1
Show InChI InChI=1S/C26H32F3N3O/c1-18-16-22-21-6-3-4-7-23(21)31-24(22)25(32(18)17-26(2,28)29)19-8-10-20(11-9-19)33-15-14-30-13-5-12-27/h3-4,6-11,18,25,30-31H,5,12-17H2,1-2H3/t18-,25-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306749
PNG
(Preparation of (5-bromo-3-methoxypyridin-2-yl)meth...)
Show SMILES COc1cc(OCCNCCCF)cnc1[C@H]1N(CC(C)(C)F)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1S/C27H36F2N4O2/c1-18-14-21-20-8-5-6-9-22(20)32-24(21)26(33(18)17-27(2,3)29)25-23(34-4)15-19(16-31-25)35-13-12-30-11-7-10-28/h5-6,8-9,15-16,18,26,30,32H,7,10-14,17H2,1-4H3/t18-,26+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306759
PNG
(Preparation of N1-(3,5-difluoro-4-((1R,3R)-2-((1-f...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)CC1)c1c(F)cc(cc1F)N(C)CCNCCCF
Show InChI InChI=1S/C28H34F4N4/c1-18-14-21-20-6-3-4-7-24(20)34-26(21)27(36(18)17-28(32)8-9-28)25-22(30)15-19(16-23(25)31)35(2)13-12-33-11-5-10-29/h3-4,6-7,15-16,18,27,33-34H,5,8-14,17H2,1-2H3/t18-,27-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306790
PNG
(N1-(5- ((1R,3R)-2- (2,2- difluoroethyl)- 3-methyl-...)
Show SMILES COc1nc(NCCNCCCF)ccc1[C@H]1N(CC(F)F)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1S/C25H32F3N5O/c1-16-14-19-17-6-3-4-7-20(17)31-23(19)24(33(16)15-21(27)28)18-8-9-22(32-25(18)34-2)30-13-12-29-11-5-10-26/h3-4,6-9,16,21,24,29,31H,5,10-15H2,1-2H3,(H,30,32)/t16-,24-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306782
PNG
(N1-(5- ((1R,3R)-2- (2,2-difluoro- propyl)-3- methy...)
Show SMILES COc1cc(NCCNCCCF)ncc1[C@H]1N(CC(C)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1S/C26H34F3N5O/c1-17-13-19-18-7-4-5-8-21(18)33-24(19)25(34(17)16-26(2,28)29)20-15-32-23(14-22(20)35-3)31-12-11-30-10-6-9-27/h4-5,7-8,14-15,17,25,30,33H,6,9-13,16H2,1-3H3,(H,31,32)/t17-,25-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306739
PNG
(BDBM306740 | N-(2-(4- ((1R,3R)-2- (2,3-difluoro- p...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1C[C@H](F)CF)c1ccc(OCCNCCCF)cc1
Show InChI InChI=1S/C26H32F3N3O/c1-18-15-23-22-5-2-3-6-24(22)31-25(23)26(32(18)17-20(29)16-28)19-7-9-21(10-8-19)33-14-13-30-12-4-11-27/h2-3,5-10,18,20,26,30-31H,4,11-17H2,1H3/t18-,20-,26-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306729
PNG
(BDBM306730 | N-(2-(4- ((1R,3R)-2- (2,3-difluoro- p...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1C[C@H](F)CF)c1c(F)cc(OCCNCCCF)cc1F
Show InChI InChI=1S/C26H30F5N3O/c1-16-11-20-19-5-2-3-6-23(19)33-25(20)26(34(16)15-17(29)14-28)24-21(30)12-18(13-22(24)31)35-10-9-32-8-4-7-27/h2-3,5-6,12-13,16-17,26,32-33H,4,7-11,14-15H2,1H3/t16-,17-,26-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306739
PNG
(BDBM306740 | N-(2-(4- ((1R,3R)-2- (2,3-difluoro- p...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1C[C@H](F)CF)c1ccc(OCCNCCCF)cc1
Show InChI InChI=1S/C26H32F3N3O/c1-18-15-23-22-5-2-3-6-24(22)31-25(23)26(32(18)17-20(29)16-28)19-7-9-21(10-8-19)33-14-13-30-12-4-11-27/h2-3,5-10,18,20,26,30-31H,4,11-17H2,1H3/t18-,20-,26-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306770
PNG
(N-(2-(4- ((1R,3R)-2- (2,2- difluoroethyl)- 3-methy...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)F)c1ccc(OCCNCCCF)cc1
Show InChI InChI=1S/C25H30F3N3O/c1-17-15-21-20-5-2-3-6-22(20)30-24(21)25(31(17)16-23(27)28)18-7-9-19(10-8-18)32-14-13-29-12-4-11-26/h2-3,5-10,17,23,25,29-30H,4,11-16H2,1H3/t17-,25-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306733
PNG
(2-(3,5- difluoro-4- ((1R,3R)-2-(2- fluoro-2- methy...)
Show SMILES CC(CNCCCF)Oc1cc(F)c([C@H]2N(CC(C)(C)F)[C@H](C)Cc3c2[nH]c2ccccc32)c(F)c1
Show InChI InChI=1S/C28H35F4N3O/c1-17-12-21-20-8-5-6-9-24(20)34-26(21)27(35(17)16-28(3,4)32)25-22(30)13-19(14-23(25)31)36-18(2)15-33-11-7-10-29/h5-6,8-9,13-14,17-18,27,33-34H,7,10-12,15-16H2,1-4H3/t17-,18?,27-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306727
PNG
(N-(2-(4- ((1R,3R)-2- (2,2- difluoroethyl)- 3-methy...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)F)c1c(F)cc(OCCNCCCF)cc1F
Show InChI InChI=1S/C25H28F5N3O/c1-15-11-18-17-5-2-3-6-21(17)32-24(18)25(33(15)14-22(29)30)23-19(27)12-16(13-20(23)28)34-10-9-31-8-4-7-26/h2-3,5-6,12-13,15,22,25,31-32H,4,7-11,14H2,1H3/t15-,25-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306716
PNG
(3-fluoro-N-(2-(4-((1R,3R)-2-isobutyl-3-methyl-2,3,...)
Show SMILES CC(C)CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1ccc(OCCNCCCF)cc1
Show InChI InChI=1S/C27H36FN3O/c1-19(2)18-31-20(3)17-24-23-7-4-5-8-25(23)30-26(24)27(31)21-9-11-22(12-10-21)32-16-15-29-14-6-13-28/h4-5,7-12,19-20,27,29-30H,6,13-18H2,1-3H3/t20-,27-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306752
PNG
(Preparation of 5-chloropyrazine-2-carbaldehyde | U...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1cnc(OCCNCCCF)cn1
Show InChI InChI=1S/C25H33F2N5O/c1-17-13-19-18-7-4-5-8-20(18)31-23(19)24(32(17)16-25(2,3)27)21-14-30-22(15-29-21)33-12-11-28-10-6-9-26/h4-5,7-8,14-15,17,24,28,31H,6,9-13,16H2,1-3H3/t17-,24-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306725
PNG
(Preparation of 3-fluoro-N-(2-(4-((1R,3R)-2-((1-flu...)
Show SMILES COc1cc(OCCNCCCF)ccc1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1S/C28H35F2N3O2/c1-19-16-23-21-6-3-4-7-24(21)32-26(23)27(33(19)18-28(30)10-11-28)22-9-8-20(17-25(22)34-2)35-15-14-31-13-5-12-29/h3-4,6-9,17,19,27,31-32H,5,10-16,18H2,1-2H3/t19-,27-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306786
PNG
(N-(2-(3,5- difluoro-4- ((1R,3R)-2-((3- (fluorometh...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(CF)COC1)c1c(F)cc(OCCNCCCF)cc1F
Show InChI InChI=1S/C28H33F4N3O2/c1-18-11-21-20-5-2-3-6-24(20)34-26(21)27(35(18)15-28(14-30)16-36-17-28)25-22(31)12-19(13-23(25)32)37-10-9-33-8-4-7-29/h2-3,5-6,12-13,18,27,33-34H,4,7-11,14-17H2,1H3/t18-,27-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306735
PNG
(3-fluoro-N-(2- (3-fluoro-4- ((1R,3R)-2-((1- fluoro...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)CC1)c1ccc(OCCNCCCF)cc1F
Show InChI InChI=1S/C27H32F3N3O/c1-18-15-22-20-5-2-3-6-24(20)32-25(22)26(33(18)17-27(30)9-10-27)21-8-7-19(16-23(21)29)34-14-13-31-12-4-11-28/h2-3,5-8,16,18,26,31-32H,4,9-15,17H2,1H3/t18-,26-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306719
PNG
(N-(2-(3,5-difluoro-4-((1R,3R)-2-((3-fluorooxetan-3...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)COC1)c1c(F)cc(OCCNCCCF)cc1F
Show InChI InChI=1S/C27H31F4N3O2/c1-17-11-20-19-5-2-3-6-23(19)33-25(20)26(34(17)14-27(31)15-35-16-27)24-21(29)12-18(13-22(24)30)36-10-9-32-8-4-7-28/h2-3,5-6,12-13,17,26,32-33H,4,7-11,14-16H2,1H3/t17-,26-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306729
PNG
(BDBM306730 | N-(2-(4- ((1R,3R)-2- (2,3-difluoro- p...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1C[C@H](F)CF)c1c(F)cc(OCCNCCCF)cc1F
Show InChI InChI=1S/C26H30F5N3O/c1-16-11-20-19-5-2-3-6-23(19)33-25(20)26(34(16)15-17(29)14-28)24-21(30)12-18(13-22(24)31)35-10-9-32-8-4-7-27/h2-3,5-6,12-13,16-17,26,32-33H,4,7-11,14-15H2,1H3/t16-,17-,26-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306751
PNG
(3-fluoro-N-(2- ((5-((1R,3R)-2- ((1-fluoro- cyclopr...)
Show SMILES COc1cc(OCCNCCCF)ncc1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1S/C27H34F2N4O2/c1-18-14-20-19-6-3-4-7-22(19)32-25(20)26(33(18)17-27(29)8-9-27)21-16-31-24(15-23(21)34-2)35-13-12-30-11-5-10-28/h3-4,6-7,15-16,18,26,30,32H,5,8-14,17H2,1-2H3/t18-,26-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306721
PNG
(Preparation of 3-fluoro-N-(2-((5-((1R,3R)-2-((3-fl...)
Show SMILES COc1cc(OCCNCCCF)ncc1[C@H]1N(CC2(F)COC2)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1S/C27H34F2N4O3/c1-18-12-20-19-6-3-4-7-22(19)32-25(20)26(33(18)15-27(29)16-35-17-27)21-14-31-24(13-23(21)34-2)36-11-10-30-9-5-8-28/h3-4,6-7,13-14,18,26,30,32H,5,8-12,15-17H2,1-2H3/t18-,26-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306783
PNG
(2,2-difluoro-3- ((1S,3R)-1-(5- (2-((3- fluoropropy...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1cnc(OCCNCCCF)cn1
Show InChI InChI=1S/C24H30F3N5O2/c1-16-11-18-17-5-2-3-6-19(17)31-22(18)23(32(16)14-24(26,27)15-33)20-12-30-21(13-29-20)34-10-9-28-8-4-7-25/h2-3,5-6,12-13,16,23,28,31,33H,4,7-11,14-15H2,1H3/t16-,23-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306737
PNG
(3-fluoro-N-(2- (4-((1R,3R)-2- ((1-fluoro- cyclopro...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)CC1)c1ccc(OCCNCCCF)cc1
Show InChI InChI=1S/C27H33F2N3O/c1-19-17-23-22-5-2-3-6-24(22)31-25(23)26(32(19)18-27(29)11-12-27)20-7-9-21(10-8-20)33-16-15-30-14-4-13-28/h2-3,5-10,19,26,30-31H,4,11-18H2,1H3/t19-,26-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306779
PNG
(2,2-difluoro-3- ((1R,3R)-1-(6- ((2-((3- fluoroprop...)
Show SMILES COc1cc(NCCNCCCF)ncc1[C@H]1N(CC(F)(F)CO)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1S/C26H34F3N5O2/c1-17-12-19-18-6-3-4-7-21(18)33-24(19)25(34(17)15-26(28,29)16-35)20-14-32-23(13-22(20)36-2)31-11-10-30-9-5-8-27/h3-4,6-7,13-14,17,25,30,33,35H,5,8-12,15-16H2,1-2H3,(H,31,32)/t17-,25-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306728
PNG
(N-(2-(4- ((1R,3R)-2- (2,2-difluoro- 3-methoxy- pro...)
Show SMILES COCC(F)(F)CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)cc(OCCNCCCF)cc1F
Show InChI InChI=1S/C27H32F5N3O2/c1-17-12-20-19-6-3-4-7-23(19)34-25(20)26(35(17)15-27(31,32)16-36-2)24-21(29)13-18(14-22(24)30)37-11-10-33-9-5-8-28/h3-4,6-7,13-14,17,26,33-34H,5,8-12,15-16H2,1-2H3/t17-,26-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306731
PNG
(3-((1R,3R)-1- (2,6-difluoro- 4-(2-((3- fluoropropy...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(F)CO)c1c(F)cc(OCCNCCCF)cc1F
Show InChI InChI=1S/C27H33F4N3O2/c1-17-12-20-19-6-3-4-7-23(19)33-25(20)26(34(17)15-27(2,31)16-35)24-21(29)13-18(14-22(24)30)36-11-10-32-9-5-8-28/h3-4,6-7,13-14,17,26,32-33,35H,5,8-12,15-16H2,1-2H3/t17-,26-,27?/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306791
PNG
(N-(2-((5- ((1R,3R)-2- (2,2-difluoro- propyl)-3- me...)
Show SMILES COc1nc(OCCNCCCF)ccc1[C@H]1N(CC(C)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1S/C26H33F3N4O2/c1-17-15-20-18-7-4-5-8-21(18)31-23(20)24(33(17)16-26(2,28)29)19-9-10-22(32-25(19)34-3)35-14-13-30-12-6-11-27/h4-5,7-10,17,24,30-31H,6,11-16H2,1-3H3/t17-,24-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306764
PNG
(BDBM306765 | N-(2-(3,5- difluoro-4- ((1R,3R)-2-(2-...)
Show SMILES COCC(C)(F)CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)cc(OCCNCCCF)cc1F
Show InChI InChI=1S/C28H35F4N3O2/c1-18-13-21-20-7-4-5-8-24(20)34-26(21)27(35(18)16-28(2,32)17-36-3)25-22(30)14-19(15-23(25)31)37-12-11-33-10-6-9-29/h4-5,7-8,14-15,18,27,33-34H,6,9-13,16-17H2,1-3H3/t18-,27-,28?/m1/s1
PDB

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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306738
PNG
(3-fluoro-N-(2- (4-((1R,3R)-2- ((3- fluorooxetan- 3...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)COC1)c1ccc(OCCNCCCF)cc1
Show InChI InChI=1S/C27H33F2N3O2/c1-19-15-23-22-5-2-3-6-24(22)31-25(23)26(32(19)16-27(29)17-33-18-27)20-7-9-21(10-8-20)34-14-13-30-12-4-11-28/h2-3,5-10,19,26,30-31H,4,11-18H2,1H3/t19-,26-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306736
PNG
(3-fluoro-N-(2- (3-fluoro-4- ((1R,3R)-2-((3- fluoro...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)COC1)c1ccc(OCCNCCCF)cc1F
Show InChI InChI=1S/C27H32F3N3O2/c1-18-13-22-20-5-2-3-6-24(20)32-25(22)26(33(18)15-27(30)16-34-17-27)21-8-7-19(14-23(21)29)35-12-11-31-10-4-9-28/h2-3,5-8,14,18,26,31-32H,4,9-13,15-17H2,1H3/t18-,26-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306785
PNG
(N1-(5- ((1S,3R)-2- (2,2- difluoroethyl)- 3-methyl-...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)F)c1cnc(NCCNCCCF)cn1
Show InChI InChI=1S/C23H29F3N6/c1-15-11-17-16-5-2-3-6-18(16)31-22(17)23(32(15)14-20(25)26)19-12-30-21(13-29-19)28-10-9-27-8-4-7-24/h2-3,5-6,12-13,15,20,23,27,31H,4,7-11,14H2,1H3,(H,28,30)/t15-,23-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306781
PNG
(N1-(5- ((1R,3R)-2- (2,2- difluoroethyl)- 3-methyl-...)
Show SMILES COc1cc(NCCNCCCF)ncc1[C@H]1N(CC(F)F)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1S/C25H32F3N5O/c1-16-12-18-17-6-3-4-7-20(17)32-24(18)25(33(16)15-22(27)28)19-14-31-23(13-21(19)34-2)30-11-10-29-9-5-8-26/h3-4,6-7,13-14,16,22,25,29,32H,5,8-12,15H2,1-2H3,(H,30,31)/t16-,25-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306784
PNG
(N-(2-((5- ((1S,3R)-2- (2,2- difluoroethyl)- 3-meth...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)F)c1cnc(OCCNCCCF)cn1
Show InChI InChI=1S/C23H28F3N5O/c1-15-11-17-16-5-2-3-6-18(16)30-22(17)23(31(15)14-20(25)26)19-12-29-21(13-28-19)32-10-9-27-8-4-7-24/h2-3,5-6,12-13,15,20,23,27,30H,4,7-11,14H2,1H3/t15-,23-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306726
PNG
(N-(2-(4- ((1R,3R)-2- (2,2- difluoropropyl)- 3-meth...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(F)F)c1c(F)cc(OCCNCCCF)cc1F
Show InChI InChI=1S/C26H30F5N3O/c1-16-12-19-18-6-3-4-7-22(18)33-24(19)25(34(16)15-26(2,30)31)23-20(28)13-17(14-21(23)29)35-11-10-32-9-5-8-27/h3-4,6-7,13-14,16,25,32-33H,5,8-12,15H2,1-2H3/t16-,25-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306709
PNG
(3,3-difluoro-N-(2-(4-((1R,3R)-2-isobutyl-3-methyl-...)
Show SMILES CC(C)CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1ccc(OCCNCCC(F)F)cc1
Show InChI InChI=1S/C27H35F2N3O/c1-18(2)17-32-19(3)16-23-22-6-4-5-7-24(22)31-26(23)27(32)20-8-10-21(11-9-20)33-15-14-30-13-12-25(28)29/h4-11,18-19,25,27,30-31H,12-17H2,1-3H3/t19-,27-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306783
PNG
(2,2-difluoro-3- ((1S,3R)-1-(5- (2-((3- fluoropropy...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1cnc(OCCNCCCF)cn1
Show InChI InChI=1S/C24H30F3N5O2/c1-16-11-18-17-5-2-3-6-19(17)31-22(18)23(32(16)14-24(26,27)15-33)20-12-30-21(13-29-20)34-10-9-28-8-4-7-25/h2-3,5-6,12-13,16,23,28,31,33H,4,7-11,14-15H2,1H3/t16-,23-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306780
PNG
(N1-(5- ((1R,3R)-2-((3- fluorooxetan- 3-yl)methyl)-...)
Show SMILES COc1cc(NCCNCCCF)ncc1[C@H]1N(CC2(F)COC2)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1S/C27H35F2N5O2/c1-18-12-20-19-6-3-4-7-22(19)33-25(20)26(34(18)15-27(29)16-36-17-27)21-14-32-24(13-23(21)35-2)31-11-10-30-9-5-8-28/h3-4,6-7,13-14,18,26,30,33H,5,8-12,15-17H2,1-2H3,(H,31,32)/t18-,26-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306785
PNG
(N1-(5- ((1S,3R)-2- (2,2- difluoroethyl)- 3-methyl-...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)F)c1cnc(NCCNCCCF)cn1
Show InChI InChI=1S/C23H29F3N6/c1-15-11-17-16-5-2-3-6-18(16)31-22(17)23(32(15)14-20(25)26)19-12-30-21(13-29-19)28-10-9-27-8-4-7-24/h2-3,5-6,12-13,15,20,23,27,31H,4,7-11,14H2,1H3,(H,28,30)/t15-,23-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306736
PNG
(3-fluoro-N-(2- (3-fluoro-4- ((1R,3R)-2-((3- fluoro...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)COC1)c1ccc(OCCNCCCF)cc1F
Show InChI InChI=1S/C27H32F3N3O2/c1-18-13-22-20-5-2-3-6-24(20)32-25(22)26(33(18)15-27(30)16-34-17-27)21-8-7-19(14-23(21)29)35-12-11-31-10-4-9-28/h2-3,5-8,14,18,26,31-32H,4,9-13,15-17H2,1H3/t18-,26-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306717
PNG
(N-(2-(3,5-difluoro-4-((1R,3R)-2-(2-fluoro-2-methyl...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(OCCNCCC(F)F)cc1F
Show InChI InChI=1S/C27H32F5N3O/c1-16-12-19-18-6-4-5-7-22(18)34-25(19)26(35(16)15-27(2,3)32)24-20(28)13-17(14-21(24)29)36-11-10-33-9-8-23(30)31/h4-7,13-14,16,23,26,33-34H,8-12,15H2,1-3H3/t16-,26-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306719
PNG
(N-(2-(3,5-difluoro-4-((1R,3R)-2-((3-fluorooxetan-3...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)COC1)c1c(F)cc(OCCNCCCF)cc1F
Show InChI InChI=1S/C27H31F4N3O2/c1-17-11-20-19-5-2-3-6-23(19)33-25(20)26(34(17)14-27(31)15-35-16-27)24-21(29)12-18(13-22(24)30)36-10-9-32-8-4-7-28/h2-3,5-6,12-13,17,26,32-33H,4,7-11,14-16H2,1H3/t17-,26-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306724
PNG
(Preparation of 3-((1R,3R)-1-(2,6-difluoro-4-(2-((3...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)cc(OCCNCCCF)cc1F
Show InChI InChI=1S/C26H30F5N3O2/c1-16-11-19-18-5-2-3-6-22(18)33-24(19)25(34(16)14-26(30,31)15-35)23-20(28)12-17(13-21(23)29)36-10-9-32-8-4-7-27/h2-3,5-6,12-13,16,25,32-33,35H,4,7-11,14-15H2,1H3/t16-,25-/m1/s1
PDB

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AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306760
PNG
(Preparation of 3-((1R,3R)-1-(2,6-difluoro-4-((2-((...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)cc(NCCNCCCF)cc1F
Show InChI InChI=1S/C26H31F5N4O/c1-16-11-19-18-5-2-3-6-22(18)34-24(19)25(35(16)14-26(30,31)15-36)23-20(28)12-17(13-21(23)29)33-10-9-32-8-4-7-27/h2-3,5-6,12-13,16,25,32-34,36H,4,7-11,14-15H2,1H3/t16-,25-/m1/s1
PDB

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AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306789
PNG
(N-(2-((5- ((1R,3R)-2- (2,2- difluoroethyl)- 3-meth...)
Show SMILES COc1nc(OCCNCCCF)ccc1[C@H]1N(CC(F)F)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1S/C25H31F3N4O2/c1-16-14-19-17-6-3-4-7-20(17)30-23(19)24(32(16)15-21(27)28)18-8-9-22(31-25(18)33-2)34-13-12-29-11-5-10-26/h3-4,6-9,16,21,24,29-30H,5,10-15H2,1-2H3/t16-,24-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306778
PNG
(2,2-difluoro-3- ((1R,3R)-1-(6- (2-((3- fluoropropy...)
Show SMILES COc1cc(OCCNCCCF)ncc1[C@H]1N(CC(F)(F)CO)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1S/C26H33F3N4O3/c1-17-12-19-18-6-3-4-7-21(18)32-24(19)25(33(17)15-26(28,29)16-34)20-14-31-23(13-22(20)35-2)36-11-10-30-9-5-8-27/h3-4,6-7,13-14,17,25,30,32,34H,5,8-12,15-16H2,1-2H3/t17-,25-/m1/s1
PDB

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AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306744
PNG
(Preparation of (1S,3R)-1-(5-bromopyridin-2-yl)-2-(...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1ccc(OCCNCCCF)cn1
Show InChI InChI=1S/C26H34F2N4O/c1-18-15-21-20-7-4-5-8-22(20)31-24(21)25(32(18)17-26(2,3)28)23-10-9-19(16-30-23)33-14-13-29-12-6-11-27/h4-5,7-10,16,18,25,29,31H,6,11-15,17H2,1-3H3/t18-,25-/m1/s1
PDB

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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306784
PNG
(N-(2-((5- ((1S,3R)-2- (2,2- difluoroethyl)- 3-meth...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)F)c1cnc(OCCNCCCF)cn1
Show InChI InChI=1S/C23H28F3N5O/c1-15-11-17-16-5-2-3-6-18(16)30-22(17)23(31(15)14-20(25)26)19-12-29-21(13-28-19)32-10-9-27-8-4-7-24/h2-3,5-6,12-13,15,20,23,27,30H,4,7-11,14H2,1H3/t15-,23-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306722
PNG
(Preparation of 3-fluoro-N-(2-(4-((1R,3R)-2-((3-flu...)
Show SMILES COc1cc(OCCNCCCF)ccc1[C@H]1N(CC2(F)COC2)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1S/C28H35F2N3O3/c1-19-14-23-21-6-3-4-7-24(21)32-26(23)27(33(19)16-28(30)17-35-18-28)22-9-8-20(15-25(22)34-2)36-13-12-31-11-5-10-29/h3-4,6-9,15,19,27,31-32H,5,10-14,16-18H2,1-2H3/t19-,27-/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306756
PNG
(Preparation of N-(2-((5-((1R,3R)-2-(2,2-Difluoropr...)
Show SMILES COc1cc(OCCNCCCF)ncc1[C@H]1N(CC(C)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1S/C26H33F3N4O2/c1-17-13-19-18-7-4-5-8-21(18)32-24(19)25(33(17)16-26(2,28)29)20-15-31-23(14-22(20)34-3)35-12-11-30-10-6-9-27/h4-5,7-8,14-15,17,25,30,32H,6,9-13,16H2,1-3H3/t17-,25-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306739
PNG
(BDBM306740 | N-(2-(4- ((1R,3R)-2- (2,3-difluoro- p...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1C[C@H](F)CF)c1ccc(OCCNCCCF)cc1
Show InChI InChI=1S/C26H32F3N3O/c1-18-15-23-22-5-2-3-6-24(22)31-25(23)26(32(18)17-20(29)16-28)19-7-9-21(10-8-19)33-14-13-30-12-4-11-27/h2-3,5-10,18,20,26,30-31H,4,11-17H2,1H3/t18-,20-,26-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306744
PNG
(Preparation of (1S,3R)-1-(5-bromopyridin-2-yl)-2-(...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1ccc(OCCNCCCF)cn1
Show InChI InChI=1S/C26H34F2N4O/c1-18-15-21-20-7-4-5-8-22(20)31-24(21)25(32(18)17-26(2,3)28)23-10-9-19(16-30-23)33-14-13-29-12-6-11-27/h4-5,7-10,16,18,25,29,31H,6,11-15,17H2,1-3H3/t18-,25-/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306720
PNG
(N-(2-(3,5-difluoro-4-((1R,3R)-2-((1-fluorocyclopro...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)CC1)c1c(F)cc(OCCNCCCF)cc1F
Show InChI InChI=1S/C27H31F4N3O/c1-17-13-20-19-5-2-3-6-23(19)33-25(20)26(34(17)16-27(31)7-8-27)24-21(29)14-18(15-22(24)30)35-12-11-32-10-4-9-28/h2-3,5-6,14-15,17,26,32-33H,4,7-13,16H2,1H3/t17-,26-/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306731
PNG
(3-((1R,3R)-1- (2,6-difluoro- 4-(2-((3- fluoropropy...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(F)CO)c1c(F)cc(OCCNCCCF)cc1F
Show InChI InChI=1S/C27H33F4N3O2/c1-17-12-20-19-6-3-4-7-23(19)33-25(20)26(34(17)15-27(2,31)16-35)24-21(29)13-18(14-22(24)30)36-11-10-32-9-5-8-28/h3-4,6-7,13-14,17,26,32-33,35H,5,8-12,15-16H2,1-2H3/t17-,26-,27?/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306755
PNG
(Preparation of 3-Fluoro-N-(2-((4-methoxy-5-((1R,3R...)
Show SMILES COc1cc(OCCNCCCF)ncc1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1S/C25H30F4N4O2/c1-16-12-18-17-6-3-4-7-20(17)32-23(18)24(33(16)15-25(27,28)29)19-14-31-22(13-21(19)34-2)35-11-10-30-9-5-8-26/h3-4,6-7,13-14,16,24,30,32H,5,8-12,15H2,1-2H3/t16-,24-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306762
PNG
(Preparation of N-(2-(4-((1R,3R)-2-(2,2-difluoroeth...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)F)c1ccc(OCCNCCCF)cc1F
Show InChI InChI=1S/C25H29F4N3O/c1-16-13-20-18-5-2-3-6-22(18)31-24(20)25(32(16)15-23(28)29)19-8-7-17(14-21(19)27)33-12-11-30-10-4-9-26/h2-3,5-8,14,16,23,25,30-31H,4,9-13,15H2,1H3/t16-,25-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306741
PNG
(3-fluoro-N- ((S)-1-(4- ((1R,3R)-2-((3- fluorooxeta...)
Show SMILES C[C@@H](COc1ccc(cc1)[C@H]1N(CC2(F)COC2)[C@H](C)Cc2c1[nH]c1ccccc21)NCCCF
Show InChI InChI=1S/C28H35F2N3O2/c1-19(31-13-5-12-29)15-35-22-10-8-21(9-11-22)27-26-24(23-6-3-4-7-25(23)32-26)14-20(2)33(27)16-28(30)17-34-18-28/h3-4,6-11,19-20,27,31-32H,5,12-18H2,1-2H3/t19-,20+,27+/m0/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306768
PNG
(N1-(4- ((1R,3R)-2- (2,2- difluoroethyl)- 3-methyl-...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)F)c1c(F)cc(NCCNCCCF)cc1F
Show InChI InChI=1S/C25H29F5N4/c1-15-11-18-17-5-2-3-6-21(17)33-24(18)25(34(15)14-22(29)30)23-19(27)12-16(13-20(23)28)32-10-9-31-8-4-7-26/h2-3,5-6,12-13,15,22,25,31-33H,4,7-11,14H2,1H3/t15-,25-/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306772
PNG
(2,2-difluoro-3- ((1R,3R)-1-(4- (2-((3- fluoropropy...)
Show SMILES COc1cc(OCCNCCCF)ccc1[C@H]1N(CC(F)(F)CO)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1S/C27H34F3N3O3/c1-18-14-22-20-6-3-4-7-23(20)32-25(22)26(33(18)16-27(29,30)17-34)21-9-8-19(15-24(21)35-2)36-13-12-31-11-5-10-28/h3-4,6-9,15,18,26,31-32,34H,5,10-14,16-17H2,1-2H3/t18-,26-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306769
PNG
(N-(2-(4- ((1R,3R)-2- (2,2-difluoro- propyl)-3- met...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(F)F)c1ccc(OCCNCCCF)cc1F
Show InChI InChI=1S/C26H31F4N3O/c1-17-14-21-19-6-3-4-7-23(19)32-24(21)25(33(17)16-26(2,29)30)20-9-8-18(15-22(20)28)34-13-12-31-11-5-10-27/h3-4,6-9,15,17,25,31-32H,5,10-14,16H2,1-2H3/t17-,25-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306754
PNG
(Preparation of N-(2-((5-((1R,3R)-2-(2,2-difluoroet...)
Show SMILES COc1cc(OCCNCCCF)ncc1[C@H]1N(CC(F)F)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1S/C25H31F3N4O2/c1-16-12-18-17-6-3-4-7-20(17)31-24(18)25(32(16)15-22(27)28)19-14-30-23(13-21(19)33-2)34-11-10-29-9-5-8-26/h3-4,6-7,13-14,16,22,25,29,31H,5,8-12,15H2,1-2H3/t16-,25-/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306729
PNG
(BDBM306730 | N-(2-(4- ((1R,3R)-2- (2,3-difluoro- p...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1C[C@H](F)CF)c1c(F)cc(OCCNCCCF)cc1F
Show InChI InChI=1S/C26H30F5N3O/c1-16-11-20-19-5-2-3-6-23(19)33-25(20)26(34(16)15-17(29)14-28)24-21(30)12-18(13-22(24)31)35-10-9-32-8-4-7-27/h2-3,5-6,12-13,16-17,26,32-33H,4,7-11,14-15H2,1H3/t16-,17-,26-/m1/s1
PDB

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AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306774
PNG
(N1-(4- ((1R,3R)-2-((1- fluorocyclo- propyl)methyl)...)
Show SMILES COc1cc(NCCNCCCF)ccc1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1S/C28H36F2N4O/c1-19-16-23-21-6-3-4-7-24(21)33-26(23)27(34(19)18-28(30)10-11-28)22-9-8-20(17-25(22)35-2)32-15-14-31-13-5-12-29/h3-4,6-9,17,19,27,31-33H,5,10-16,18H2,1-2H3/t19-,27-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306734
PNG
(3-(3,5- difluoro-4- ((1R,3R)-2-(2- fluoro-2-methyl...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(OCC(CO)NCCCF)cc1F
Show InChI InChI=1S/C28H35F4N3O2/c1-17-11-21-20-7-4-5-8-24(20)34-26(21)27(35(17)16-28(2,3)32)25-22(30)12-19(13-23(25)31)37-15-18(14-36)33-10-6-9-29/h4-5,7-8,12-13,17-18,27,33-34,36H,6,9-11,14-16H2,1-3H3/t17-,18?,27-/m1/s1
PDB

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AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306757
PNG
(Preparation of N-(2-(4-((1R,3R)-2-(2,2-Difluoroeth...)
Show SMILES COc1cc(OCCNCCCF)ccc1[C@H]1N(CC(F)F)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1S/C26H32F3N3O2/c1-17-14-21-19-6-3-4-7-22(19)31-25(21)26(32(17)16-24(28)29)20-9-8-18(15-23(20)33-2)34-13-12-30-11-5-10-27/h3-4,6-9,15,17,24,26,30-31H,5,10-14,16H2,1-2H3/t17-,26-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306749
PNG
(Preparation of (5-bromo-3-methoxypyridin-2-yl)meth...)
Show SMILES COc1cc(OCCNCCCF)cnc1[C@H]1N(CC(C)(C)F)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1S/C27H36F2N4O2/c1-18-14-21-20-8-5-6-9-22(20)32-24(21)26(33(18)17-27(2,3)29)25-23(34-4)15-19(16-31-25)35-13-12-30-11-7-10-28/h5-6,8-9,15-16,18,26,30,32H,7,10-14,17H2,1-4H3/t18-,26+/m1/s1
PDB

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AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306777
PNG
(N-(2-((5- ((1R,3R)-2- (2,2- difluoroethyl)- 3-meth...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)F)c1cnc(OCCNCCCF)cc1C
Show InChI InChI=1S/C25H31F3N4O/c1-16-12-23(33-11-10-29-9-5-8-26)30-14-20(16)25-24-19(13-17(2)32(25)15-22(27)28)18-6-3-4-7-21(18)31-24/h3-4,6-7,12,14,17,22,25,29,31H,5,8-11,13,15H2,1-2H3/t17-,25-/m1/s1
PDB

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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306752
PNG
(Preparation of 5-chloropyrazine-2-carbaldehyde | U...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1cnc(OCCNCCCF)cn1
Show InChI InChI=1S/C25H33F2N5O/c1-17-13-19-18-7-4-5-8-20(18)31-23(19)24(32(17)16-25(2,3)27)21-14-30-22(15-29-21)33-12-11-28-10-6-9-26/h4-5,7-8,14-15,17,24,28,31H,6,9-13,16H2,1-3H3/t17-,24-/m1/s1
PDB

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n/an/a 1.90n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306770
PNG
(N-(2-(4- ((1R,3R)-2- (2,2- difluoroethyl)- 3-methy...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)F)c1ccc(OCCNCCCF)cc1
Show InChI InChI=1S/C25H30F3N3O/c1-17-15-21-20-5-2-3-6-22(20)30-24(21)25(31(17)16-23(27)28)18-7-9-19(10-8-18)32-14-13-29-12-4-11-26/h2-3,5-10,17,23,25,29-30H,4,11-16H2,1H3/t17-,25-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306788
PNG
(N-(2-(4- ((1R,3R)-2- (2,2-difluoro- propyl)-3- met...)
Show SMILES COc1cc(OCCNCCCF)ccc1[C@H]1N(CC(C)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1S/C27H34F3N3O2/c1-18-15-22-20-7-4-5-8-23(20)32-25(22)26(33(18)17-27(2,29)30)21-10-9-19(16-24(21)34-3)35-14-13-31-12-6-11-28/h4-5,7-10,16,18,26,31-32H,6,11-15,17H2,1-3H3/t18-,26-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306791
PNG
(N-(2-((5- ((1R,3R)-2- (2,2-difluoro- propyl)-3- me...)
Show SMILES COc1nc(OCCNCCCF)ccc1[C@H]1N(CC(C)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1S/C26H33F3N4O2/c1-17-15-20-18-7-4-5-8-21(18)31-23(20)24(33(17)16-26(2,28)29)19-9-10-22(32-25(19)34-3)35-14-13-30-12-6-11-27/h4-5,7-10,17,24,30-31H,6,11-16H2,1-3H3/t17-,24-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306763
PNG
(Preparation of N1-(4-((1R,3R)-2-(2,2-difluoroethyl...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)F)c1c(F)cc(cc1F)N(C)CCNCCCF
Show InChI InChI=1S/C26H31F5N4/c1-16-12-19-18-6-3-4-7-22(18)33-25(19)26(35(16)15-23(30)31)24-20(28)13-17(14-21(24)29)34(2)11-10-32-9-5-8-27/h3-4,6-7,13-14,16,23,26,32-33H,5,8-12,15H2,1-2H3/t16-,26-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306721
PNG
(Preparation of 3-fluoro-N-(2-((5-((1R,3R)-2-((3-fl...)
Show SMILES COc1cc(OCCNCCCF)ncc1[C@H]1N(CC2(F)COC2)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1S/C27H34F2N4O3/c1-18-12-20-19-6-3-4-7-22(19)32-25(20)26(33(18)15-27(29)16-35-17-27)21-14-31-24(13-23(21)34-2)36-11-10-30-9-5-8-28/h3-4,6-7,13-14,18,26,30,32H,5,8-12,15-17H2,1-2H3/t18-,26-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306739
PNG
(BDBM306740 | N-(2-(4- ((1R,3R)-2- (2,3-difluoro- p...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1C[C@H](F)CF)c1ccc(OCCNCCCF)cc1
Show InChI InChI=1S/C26H32F3N3O/c1-18-15-23-22-5-2-3-6-24(22)31-25(23)26(32(18)17-20(29)16-28)19-7-9-21(10-8-19)33-14-13-30-12-4-11-27/h2-3,5-10,18,20,26,30-31H,4,11-17H2,1H3/t18-,20-,26-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306734
PNG
(3-(3,5- difluoro-4- ((1R,3R)-2-(2- fluoro-2-methyl...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(OCC(CO)NCCCF)cc1F
Show InChI InChI=1S/C28H35F4N3O2/c1-17-11-21-20-7-4-5-8-24(20)34-26(21)27(35(17)16-28(2,3)32)25-22(30)12-19(13-23(25)31)37-15-18(14-36)33-10-6-9-29/h4-5,7-8,12-13,17-18,27,33-34,36H,6,9-11,14-16H2,1-3H3/t17-,18?,27-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306741
PNG
(3-fluoro-N- ((S)-1-(4- ((1R,3R)-2-((3- fluorooxeta...)
Show SMILES C[C@@H](COc1ccc(cc1)[C@H]1N(CC2(F)COC2)[C@H](C)Cc2c1[nH]c1ccccc21)NCCCF
Show InChI InChI=1S/C28H35F2N3O2/c1-19(31-13-5-12-29)15-35-22-10-8-21(9-11-22)27-26-24(23-6-3-4-7-25(23)32-26)14-20(2)33(27)16-28(30)17-34-18-28/h3-4,6-11,19-20,27,31-32H,5,12-18H2,1-2H3/t19-,20+,27+/m0/s1
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AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306764
PNG
(BDBM306765 | N-(2-(3,5- difluoro-4- ((1R,3R)-2-(2-...)
Show SMILES COCC(C)(F)CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)cc(OCCNCCCF)cc1F
Show InChI InChI=1S/C28H35F4N3O2/c1-18-13-21-20-7-4-5-8-24(20)34-26(21)27(35(18)16-28(2,32)17-36-3)25-22(30)14-19(15-23(25)31)37-12-11-33-10-6-9-29/h4-5,7-8,14-15,18,27,33-34H,6,9-13,16-17H2,1-3H3/t18-,27-,28?/m1/s1
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AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306750
PNG
(Preparation of (6-chloro-4-methoxypyridin-3-yl)met...)
Show SMILES COc1cc(OCCNCCCF)ncc1[C@H]1N(CC(C)(C)F)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1S/C27H36F2N4O2/c1-18-14-20-19-8-5-6-9-22(19)32-25(20)26(33(18)17-27(2,3)29)21-16-31-24(15-23(21)34-4)35-13-12-30-11-7-10-28/h5-6,8-9,15-16,18,26,30,32H,7,10-14,17H2,1-4H3/t18-,26-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306731
PNG
(3-((1R,3R)-1- (2,6-difluoro- 4-(2-((3- fluoropropy...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(F)CO)c1c(F)cc(OCCNCCCF)cc1F
Show InChI InChI=1S/C27H33F4N3O2/c1-17-12-20-19-6-3-4-7-23(19)33-25(20)26(34(17)15-27(2,31)16-35)24-21(29)13-18(14-22(24)30)36-11-10-32-9-5-8-28/h3-4,6-7,13-14,17,26,32-33,35H,5,8-12,15-16H2,1-2H3/t17-,26-,27?/m1/s1
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AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306727
PNG
(N-(2-(4- ((1R,3R)-2- (2,2- difluoroethyl)- 3-methy...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)F)c1c(F)cc(OCCNCCCF)cc1F
Show InChI InChI=1S/C25H28F5N3O/c1-15-11-18-17-5-2-3-6-21(17)32-24(18)25(33(15)14-22(29)30)23-19(27)12-16(13-20(23)28)34-10-9-31-8-4-7-26/h2-3,5-6,12-13,15,22,25,31-32H,4,7-11,14H2,1H3/t15-,25-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306751
PNG
(3-fluoro-N-(2- ((5-((1R,3R)-2- ((1-fluoro- cyclopr...)
Show SMILES COc1cc(OCCNCCCF)ncc1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1S/C27H34F2N4O2/c1-18-14-20-19-6-3-4-7-22(19)32-25(20)26(33(18)17-27(29)8-9-27)21-16-31-24(15-23(21)34-2)35-13-12-30-11-5-10-28/h3-4,6-7,15-16,18,26,30,32H,5,8-14,17H2,1-2H3/t18-,26-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306779
PNG
(2,2-difluoro-3- ((1R,3R)-1-(6- ((2-((3- fluoroprop...)
Show SMILES COc1cc(NCCNCCCF)ncc1[C@H]1N(CC(F)(F)CO)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1S/C26H34F3N5O2/c1-17-12-19-18-6-3-4-7-21(18)33-24(19)25(34(17)15-26(28,29)16-35)20-14-32-23(13-22(20)36-2)31-11-10-30-9-5-8-27/h3-4,6-7,13-14,17,25,30,33,35H,5,8-12,15-16H2,1-2H3,(H,31,32)/t17-,25-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306786
PNG
(N-(2-(3,5- difluoro-4- ((1R,3R)-2-((3- (fluorometh...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(CF)COC1)c1c(F)cc(OCCNCCCF)cc1F
Show InChI InChI=1S/C28H33F4N3O2/c1-18-11-21-20-5-2-3-6-24(20)34-26(21)27(35(18)15-28(14-30)16-36-17-28)25-22(31)12-19(13-23(25)32)37-10-9-33-8-4-7-29/h2-3,5-6,12-13,18,27,33-34H,4,7-11,14-17H2,1H3/t18-,27-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306781
PNG
(N1-(5- ((1R,3R)-2- (2,2- difluoroethyl)- 3-methyl-...)
Show SMILES COc1cc(NCCNCCCF)ncc1[C@H]1N(CC(F)F)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1S/C25H32F3N5O/c1-16-12-18-17-6-3-4-7-20(17)32-24(18)25(33(16)15-22(27)28)19-14-31-23(13-21(19)34-2)30-11-10-29-9-5-8-26/h3-4,6-7,13-14,16,22,25,29,32H,5,8-12,15H2,1-2H3,(H,30,31)/t16-,25-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306728
PNG
(N-(2-(4- ((1R,3R)-2- (2,2-difluoro- 3-methoxy- pro...)
Show SMILES COCC(F)(F)CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)cc(OCCNCCCF)cc1F
Show InChI InChI=1S/C27H32F5N3O2/c1-17-12-20-19-6-3-4-7-23(19)34-25(20)26(35(17)15-27(31,32)16-36-2)24-21(29)13-18(14-22(24)30)37-11-10-33-9-5-8-28/h3-4,6-7,13-14,17,26,33-34H,5,8-12,15-16H2,1-2H3/t17-,26-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306758
PNG
(Preparation of N1-(3,5-difluoro-4-((1R,3R)-2-((3-f...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)COC1)c1c(F)cc(NCCNCCCF)cc1F
Show InChI InChI=1S/C27H32F4N4O/c1-17-11-20-19-5-2-3-6-23(19)34-25(20)26(35(17)14-27(31)15-36-16-27)24-21(29)12-18(13-22(24)30)33-10-9-32-8-4-7-28/h2-3,5-6,12-13,17,26,32-34H,4,7-11,14-16H2,1H3/t17-,26-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306729
PNG
(BDBM306730 | N-(2-(4- ((1R,3R)-2- (2,3-difluoro- p...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1C[C@H](F)CF)c1c(F)cc(OCCNCCCF)cc1F
Show InChI InChI=1S/C26H30F5N3O/c1-16-11-20-19-5-2-3-6-23(19)33-25(20)26(34(16)15-17(29)14-28)24-21(30)12-18(13-22(24)31)35-10-9-32-8-4-7-27/h2-3,5-6,12-13,16-17,26,32-33H,4,7-11,14-15H2,1H3/t16-,17-,26-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306733
PNG
(2-(3,5- difluoro-4- ((1R,3R)-2-(2- fluoro-2- methy...)
Show SMILES CC(CNCCCF)Oc1cc(F)c([C@H]2N(CC(C)(C)F)[C@H](C)Cc3c2[nH]c2ccccc32)c(F)c1
Show InChI InChI=1S/C28H35F4N3O/c1-17-12-21-20-8-5-6-9-24(20)34-26(21)27(35(17)16-28(3,4)32)25-22(30)13-19(14-23(25)31)36-18(2)15-33-11-7-10-29/h5-6,8-9,13-14,17-18,27,33-34H,7,10-12,15-16H2,1-4H3/t17-,18?,27-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306747
PNG
(3-fluoro-N-(2- ((5-((1R,3R)-2- ((1-fluoro- cyclopr...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)CC1)c1ccc(OCCNCCCF)nc1
Show InChI InChI=1S/C26H32F2N4O/c1-18-15-21-20-5-2-3-6-22(20)31-24(21)25(32(18)17-26(28)9-10-26)19-7-8-23(30-16-19)33-14-13-29-12-4-11-27/h2-3,5-8,16,18,25,29,31H,4,9-15,17H2,1H3/t18-,25-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306782
PNG
(N1-(5- ((1R,3R)-2- (2,2-difluoro- propyl)-3- methy...)
Show SMILES COc1cc(NCCNCCCF)ncc1[C@H]1N(CC(C)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1S/C26H34F3N5O/c1-17-13-19-18-7-4-5-8-21(18)33-24(19)25(34(17)16-26(2,28)29)20-15-32-23(14-22(20)35-3)31-12-11-30-10-6-9-27/h4-5,7-8,14-15,17,25,30,33H,6,9-13,16H2,1-3H3,(H,31,32)/t17-,25-/m1/s1
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n/an/a 2.60n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306787
PNG
(3-fluoro-N-(2- (3-methoxy-4- ((1R,3R)-3- methyl-2-...)
Show SMILES COc1cc(OCCNCCCF)ccc1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1S/C26H31F4N3O2/c1-17-14-21-19-6-3-4-7-22(19)32-24(21)25(33(17)16-26(28,29)30)20-9-8-18(15-23(20)34-2)35-13-12-31-11-5-10-27/h3-4,6-9,15,17,25,31-32H,5,10-14,16H2,1-2H3/t17-,25-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306734
PNG
(3-(3,5- difluoro-4- ((1R,3R)-2-(2- fluoro-2-methyl...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(OCC(CO)NCCCF)cc1F
Show InChI InChI=1S/C28H35F4N3O2/c1-17-11-21-20-7-4-5-8-24(20)34-26(21)27(35(17)16-28(2,3)32)25-22(30)12-19(13-23(25)31)37-15-18(14-36)33-10-6-9-29/h4-5,7-8,12-13,17-18,27,33-34,36H,6,9-11,14-16H2,1-3H3/t17-,18?,27-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306790
PNG
(N1-(5- ((1R,3R)-2- (2,2- difluoroethyl)- 3-methyl-...)
Show SMILES COc1nc(NCCNCCCF)ccc1[C@H]1N(CC(F)F)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1S/C25H32F3N5O/c1-16-14-19-17-6-3-4-7-20(17)31-23(19)24(33(16)15-21(27)28)18-8-9-22(32-25(18)34-2)30-13-12-29-11-5-10-26/h3-4,6-9,16,21,24,29,31H,5,10-15H2,1-2H3,(H,30,32)/t16-,24-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306777
PNG
(N-(2-((5- ((1R,3R)-2- (2,2- difluoroethyl)- 3-meth...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)F)c1cnc(OCCNCCCF)cc1C
Show InChI InChI=1S/C25H31F3N4O/c1-16-12-23(33-11-10-29-9-5-8-26)30-14-20(16)25-24-19(13-17(2)32(25)15-22(27)28)18-6-3-4-7-21(18)31-24/h3-4,6-7,12,14,17,22,25,29,31H,5,8-11,13,15H2,1-2H3/t17-,25-/m1/s1
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n/an/a 3.10n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306748
PNG
(3-fluoro-N-(2- ((5-((1R,3R)-2- ((3- fluorooxetan- ...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)COC1)c1ccc(OCCNCCCF)nc1
Show InChI InChI=1S/C26H32F2N4O2/c1-18-13-21-20-5-2-3-6-22(20)31-24(21)25(32(18)15-26(28)16-33-17-26)19-7-8-23(30-14-19)34-12-11-29-10-4-9-27/h2-3,5-8,14,18,25,29,31H,4,9-13,15-17H2,1H3/t18-,25-/m1/s1
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n/an/a 3.20n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306771
PNG
(N-(2-(4- ((1R,3R)-2- (2,2-difluoro- propyl)- 3-met...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(F)F)c1ccc(OCCNCCCF)cc1
Show InChI InChI=1S/C26H32F3N3O/c1-18-16-22-21-6-3-4-7-23(21)31-24(22)25(32(18)17-26(2,28)29)19-8-10-20(11-9-19)33-15-14-30-13-5-12-27/h3-4,6-11,18,25,30-31H,5,12-17H2,1-2H3/t18-,25-/m1/s1
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n/an/a 3.30n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306747
PNG
(3-fluoro-N-(2- ((5-((1R,3R)-2- ((1-fluoro- cyclopr...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)CC1)c1ccc(OCCNCCCF)nc1
Show InChI InChI=1S/C26H32F2N4O/c1-18-15-21-20-5-2-3-6-22(20)31-24(21)25(32(18)17-26(28)9-10-26)19-7-8-23(30-16-19)33-14-13-29-12-4-11-27/h2-3,5-8,16,18,25,29,31H,4,9-15,17H2,1H3/t18-,25-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306764
PNG
(BDBM306765 | N-(2-(3,5- difluoro-4- ((1R,3R)-2-(2-...)
Show SMILES COCC(C)(F)CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)cc(OCCNCCCF)cc1F
Show InChI InChI=1S/C28H35F4N3O2/c1-18-13-21-20-7-4-5-8-24(20)34-26(21)27(35(18)16-28(2,32)17-36-3)25-22(30)14-19(15-23(25)31)37-12-11-33-10-6-9-29/h4-5,7-8,14-15,18,27,33-34H,6,9-13,16-17H2,1-3H3/t18-,27-,28?/m1/s1
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AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306776
PNG
(3-fluoro-N-(2- ((4-fluoro-5- ((1R,3R)-2-((3- fluor...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)COC1)c1cnc(NCCNCCCF)cc1F
Show InChI InChI=1S/C26H32F3N5O/c1-17-11-19-18-5-2-3-6-22(18)33-24(19)25(34(17)14-26(29)15-35-16-26)20-13-32-23(12-21(20)28)31-10-9-30-8-4-7-27/h2-3,5-6,12-13,17,25,30,33H,4,7-11,14-16H2,1H3,(H,31,32)/t17-,25-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306775
PNG
(N1-(4- ((1R,3R)-2- (2,2- difluoroethyl)- 3-methyl-...)
Show SMILES COc1cc(NCCNCCCF)ccc1[C@H]1N(CC(F)F)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1S/C26H33F3N4O/c1-17-14-21-19-6-3-4-7-22(19)32-25(21)26(33(17)16-24(28)29)20-9-8-18(15-23(20)34-2)31-13-12-30-11-5-10-27/h3-4,6-9,15,17,24,26,30-32H,5,10-14,16H2,1-2H3/t17-,26-/m1/s1
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n/an/a 4.30n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306716
PNG
(3-fluoro-N-(2-(4-((1R,3R)-2-isobutyl-3-methyl-2,3,...)
Show SMILES CC(C)CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1ccc(OCCNCCCF)cc1
Show InChI InChI=1S/C27H36FN3O/c1-19(2)18-31-20(3)17-24-23-7-4-5-8-25(23)30-26(24)27(31)21-9-11-22(12-10-21)32-16-15-29-14-6-13-28/h4-5,7-12,19-20,27,29-30H,6,13-18H2,1-3H3/t20-,27-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306759
PNG
(Preparation of N1-(3,5-difluoro-4-((1R,3R)-2-((1-f...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)CC1)c1c(F)cc(cc1F)N(C)CCNCCCF
Show InChI InChI=1S/C28H34F4N4/c1-18-14-21-20-6-3-4-7-24(20)34-26(21)27(36(18)17-28(32)8-9-28)25-22(30)15-19(16-23(25)31)35(2)13-12-33-11-5-10-29/h3-4,6-7,15-16,18,27,33-34H,5,8-14,17H2,1-2H3/t18-,27-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306789
PNG
(N-(2-((5- ((1R,3R)-2- (2,2- difluoroethyl)- 3-meth...)
Show SMILES COc1nc(OCCNCCCF)ccc1[C@H]1N(CC(F)F)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1S/C25H31F3N4O2/c1-16-14-19-17-6-3-4-7-20(17)30-23(19)24(32(16)15-21(27)28)18-8-9-22(31-25(18)33-2)34-13-12-29-11-5-10-26/h3-4,6-9,16,21,24,29-30H,5,10-15H2,1-2H3/t16-,24-/m1/s1
PDB

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AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306725
PNG
(Preparation of 3-fluoro-N-(2-(4-((1R,3R)-2-((1-flu...)
Show SMILES COc1cc(OCCNCCCF)ccc1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1S/C28H35F2N3O2/c1-19-16-23-21-6-3-4-7-24(21)32-26(23)27(33(19)18-28(30)10-11-28)22-9-8-20(17-25(22)34-2)35-15-14-31-13-5-12-29/h3-4,6-9,17,19,27,31-32H,5,10-16,18H2,1-2H3/t19-,27-/m1/s1
PDB

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AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306723
PNG
(Preparation of N1-(3,5-difluoro-4-((1R,3R)-2-((1-f...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)CC1)c1c(F)cc(NCCNCCCF)cc1F
Show InChI InChI=1S/C27H32F4N4/c1-17-13-20-19-5-2-3-6-23(19)34-25(20)26(35(17)16-27(31)7-8-27)24-21(29)14-18(15-22(24)30)33-12-11-32-10-4-9-28/h2-3,5-6,14-15,17,26,32-34H,4,7-13,16H2,1H3/t17-,26-/m1/s1
PDB

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AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306735
PNG
(3-fluoro-N-(2- (3-fluoro-4- ((1R,3R)-2-((1- fluoro...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)CC1)c1ccc(OCCNCCCF)cc1F
Show InChI InChI=1S/C27H32F3N3O/c1-18-15-22-20-5-2-3-6-24(20)32-25(22)26(33(18)17-27(30)9-10-27)21-8-7-19(16-23(21)29)34-14-13-31-12-4-11-28/h2-3,5-8,16,18,26,31-32H,4,9-15,17H2,1H3/t18-,26-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306738
PNG
(3-fluoro-N-(2- (4-((1R,3R)-2- ((3- fluorooxetan- 3...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)COC1)c1ccc(OCCNCCCF)cc1
Show InChI InChI=1S/C27H33F2N3O2/c1-19-15-23-22-5-2-3-6-24(22)31-25(23)26(32(19)16-27(29)17-33-18-27)20-7-9-21(10-8-20)34-14-13-30-12-4-11-28/h2-3,5-10,19,26,30-31H,4,11-18H2,1H3/t19-,26-/m1/s1
PDB

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AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306780
PNG
(N1-(5- ((1R,3R)-2-((3- fluorooxetan- 3-yl)methyl)-...)
Show SMILES COc1cc(NCCNCCCF)ncc1[C@H]1N(CC2(F)COC2)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1S/C27H35F2N5O2/c1-18-12-20-19-6-3-4-7-22(19)33-25(20)26(34(18)15-27(29)16-36-17-27)21-14-32-24(13-23(21)35-2)31-11-10-30-9-5-8-28/h3-4,6-7,13-14,18,26,30,33H,5,8-12,15-17H2,1-2H3,(H,31,32)/t18-,26-/m1/s1
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n/an/a 5.30n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306748
PNG
(3-fluoro-N-(2- ((5-((1R,3R)-2- ((3- fluorooxetan- ...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)COC1)c1ccc(OCCNCCCF)nc1
Show InChI InChI=1S/C26H32F2N4O2/c1-18-13-21-20-5-2-3-6-22(20)31-24(21)25(32(18)15-26(28)16-33-17-26)19-7-8-23(30-14-19)34-12-11-29-10-4-9-27/h2-3,5-8,14,18,25,29,31H,4,9-13,15-17H2,1H3/t18-,25-/m1/s1
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n/an/a 6.20n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306742
PNG
(3-fluoro-N- ((R)-1-(4- ((1R,3R)-2-((3- fluorooxeta...)
Show SMILES C[C@H](COc1ccc(cc1)[C@H]1N(CC2(F)COC2)[C@H](C)Cc2c1[nH]c1ccccc21)NCCCF
Show InChI InChI=1S/C28H35F2N3O2/c1-19(31-13-5-12-29)15-35-22-10-8-21(9-11-22)27-26-24(23-6-3-4-7-25(23)32-26)14-20(2)33(27)16-28(30)17-34-18-28/h3-4,6-11,19-20,27,31-32H,5,12-18H2,1-2H3/t19-,20-,27-/m1/s1
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n/an/a 6.20n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306709
PNG
(3,3-difluoro-N-(2-(4-((1R,3R)-2-isobutyl-3-methyl-...)
Show SMILES CC(C)CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1ccc(OCCNCCC(F)F)cc1
Show InChI InChI=1S/C27H35F2N3O/c1-18(2)17-32-19(3)16-23-22-6-4-5-7-24(22)31-26(23)27(32)20-8-10-21(11-9-20)33-15-14-30-13-12-25(28)29/h4-11,18-19,25,27,30-31H,12-17H2,1-3H3/t19-,27-/m1/s1
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n/an/a 6.60n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306737
PNG
(3-fluoro-N-(2- (4-((1R,3R)-2- ((1-fluoro- cyclopro...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)CC1)c1ccc(OCCNCCCF)cc1
Show InChI InChI=1S/C27H33F2N3O/c1-19-17-23-22-5-2-3-6-24(22)31-25(23)26(32(19)18-27(29)11-12-27)20-7-9-21(10-8-20)33-16-15-30-14-4-13-28/h2-3,5-10,19,26,30-31H,4,11-18H2,1H3/t19-,26-/m1/s1
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n/an/a 6.70n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306792
PNG
(US10149839, Example 78(NT)
Show SMILES COc1nc(NCCNCCCF)ccc1[C@H]1N(CC(C)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1S/C26H34F3N5O/c1-17-15-20-18-7-4-5-8-21(18)32-23(20)24(34(17)16-26(2,28)29)19-9-10-22(33-25(19)35-3)31-14-13-30-12-6-11-27/h4-5,7-10,17,24,30,32H,6,11-16H2,1-3H3,(H,31,33)/t17-,24-/m1/s1
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n/an/a 7.60n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306743
PNG
(2-((1R,3R)-2- ((1-fluoro- cyclopropyl) methyl)-3- ...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)CC1)c1ccc(OCCNCCCF)cc1C#N
Show InChI InChI=1S/C28H32F2N4O/c1-19-15-24-23-5-2-3-6-25(23)33-26(24)27(34(19)18-28(30)9-10-28)22-8-7-21(16-20(22)17-31)35-14-13-32-12-4-11-29/h2-3,5-8,16,19,27,32-33H,4,9-15,18H2,1H3/t19-,27-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306773
PNG
(2,2-difluoro-3- ((1R,3R)-1-(4- ((2-((3- fluoroprop...)
Show SMILES COc1cc(NCCNCCCF)ccc1[C@H]1N(CC(F)(F)CO)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1S/C27H35F3N4O2/c1-18-14-22-20-6-3-4-7-23(20)33-25(22)26(34(18)16-27(29,30)17-35)21-9-8-19(15-24(21)36-2)32-13-12-31-11-5-10-28/h3-4,6-9,15,18,26,31-33,35H,5,10-14,16-17H2,1-2H3/t18-,26-/m1/s1
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n/an/a 9.90n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306776
PNG
(3-fluoro-N-(2- ((4-fluoro-5- ((1R,3R)-2-((3- fluor...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)COC1)c1cnc(NCCNCCCF)cc1F
Show InChI InChI=1S/C26H32F3N5O/c1-17-11-19-18-5-2-3-6-22(18)33-24(19)25(34(17)14-26(29)15-35-16-26)20-13-32-23(12-21(20)28)31-10-9-30-8-4-7-27/h2-3,5-6,12-13,17,25,30,33H,4,7-11,14-16H2,1H3,(H,31,32)/t17-,25-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306753
PNG
(Preparation of 5-bromopyrimidine-2-carbaldehyde | ...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1ncc(OCCNCCCF)cn1
Show InChI InChI=1S/C25H33F2N5O/c1-17-13-20-19-7-4-5-8-21(19)31-22(20)23(32(17)16-25(2,3)27)24-29-14-18(15-30-24)33-12-11-28-10-6-9-26/h4-5,7-8,14-15,17,23,28,31H,6,9-13,16H2,1-3H3/t17-,23+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306742
PNG
(3-fluoro-N- ((R)-1-(4- ((1R,3R)-2-((3- fluorooxeta...)
Show SMILES C[C@H](COc1ccc(cc1)[C@H]1N(CC2(F)COC2)[C@H](C)Cc2c1[nH]c1ccccc21)NCCCF
Show InChI InChI=1S/C28H35F2N3O2/c1-19(31-13-5-12-29)15-35-22-10-8-21(9-11-22)27-26-24(23-6-3-4-7-25(23)32-26)14-20(2)33(27)16-28(30)17-34-18-28/h3-4,6-11,19-20,27,31-32H,5,12-18H2,1-2H3/t19-,20-,27-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306745
PNG
(3-fluoro-N-(2- ((6-((1S,3R)-2- ((1-fluoro- cyclopr...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)CC1)c1ccc(OCCNCCCF)cn1
Show InChI InChI=1S/C26H32F2N4O/c1-18-15-21-20-5-2-3-6-22(20)31-24(21)25(32(18)17-26(28)9-10-26)23-8-7-19(16-30-23)33-14-13-29-12-4-11-27/h2-3,5-8,16,18,25,29,31H,4,9-15,17H2,1H3/t18-,25-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306774
PNG
(N1-(4- ((1R,3R)-2-((1- fluorocyclo- propyl)methyl)...)
Show SMILES COc1cc(NCCNCCCF)ccc1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1S/C28H36F2N4O/c1-19-16-23-21-6-3-4-7-24(21)33-26(23)27(34(19)18-28(30)10-11-28)22-9-8-20(17-25(22)35-2)32-15-14-31-13-5-12-29/h3-4,6-9,17,19,27,31-33H,5,10-16,18H2,1-2H3/t19-,27-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306743
PNG
(2-((1R,3R)-2- ((1-fluoro- cyclopropyl) methyl)-3- ...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)CC1)c1ccc(OCCNCCCF)cc1C#N
Show InChI InChI=1S/C28H32F2N4O/c1-19-15-24-23-5-2-3-6-25(23)33-26(24)27(34(19)18-28(30)9-10-28)22-8-7-21(16-20(22)17-31)35-14-13-32-12-4-11-29/h2-3,5-8,16,19,27,32-33H,4,9-15,18H2,1H3/t19-,27-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306745
PNG
(3-fluoro-N-(2- ((6-((1S,3R)-2- ((1-fluoro- cyclopr...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)CC1)c1ccc(OCCNCCCF)cn1
Show InChI InChI=1S/C26H32F2N4O/c1-18-15-21-20-5-2-3-6-22(20)31-24(21)25(32(18)17-26(28)9-10-26)23-8-7-19(16-30-23)33-14-13-29-12-4-11-27/h2-3,5-8,16,18,25,29,31H,4,9-15,17H2,1H3/t18-,25-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306761
PNG
(Preparation of N1-(4-((1R,3R)-2-((3-fluorooxetan-3...)
Show SMILES COc1cc(NCCNCCCF)ccc1[C@H]1N(CC2(F)COC2)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1S/C28H36F2N4O2/c1-19-14-23-21-6-3-4-7-24(21)33-26(23)27(34(19)16-28(30)17-36-18-28)22-9-8-20(15-25(22)35-2)32-13-12-31-11-5-10-29/h3-4,6-9,15,19,27,31-33H,5,10-14,16-18H2,1-2H3/t19-,27-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306746
PNG
(3-fluoro-N-(2- ((6-((1S,3R)-2- ((3- fluorooxetan- ...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)COC1)c1ccc(OCCNCCCF)cn1
Show InChI InChI=1S/C26H32F2N4O2/c1-18-13-21-20-5-2-3-6-22(20)31-24(21)25(32(18)15-26(28)16-33-17-26)23-8-7-19(14-30-23)34-12-11-29-10-4-9-27/h2-3,5-8,14,18,25,29,31H,4,9-13,15-17H2,1H3/t18-,25-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 n...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306746
PNG
(3-fluoro-N-(2- ((6-((1S,3R)-2- ((3- fluorooxetan- ...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)COC1)c1ccc(OCCNCCCF)cn1
Show InChI InChI=1S/C26H32F2N4O2/c1-18-13-21-20-5-2-3-6-22(20)31-24(21)25(32(18)15-26(28)16-33-17-26)23-8-7-19(14-30-23)34-12-11-29-10-4-9-27/h2-3,5-8,14,18,25,29,31H,4,9-13,15-17H2,1H3/t18-,25-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306753
PNG
(Preparation of 5-bromopyrimidine-2-carbaldehyde | ...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1ncc(OCCNCCCF)cn1
Show InChI InChI=1S/C25H33F2N5O/c1-17-13-20-19-7-4-5-8-21(19)31-22(20)23(32(17)16-25(2,3)27)24-29-14-18(15-30-24)33-12-11-28-10-6-9-26/h4-5,7-8,14-15,17,23,28,31H,6,9-13,16H2,1-3H3/t17-,23+/m1/s1
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n/an/a 230n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)

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