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Patent code US10131663

Compile Data Set for Download or QSAR
Found 194 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))
BDBM300973
PNG
(2-fluoro-6- ((6S,8R)-1- fluoro-8- methyl-7- (2,2,2...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]nc(F)c23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)c(F)n1
Show InChI InChI=1S/C24H26F6N6/c1-13-9-16-15(3-4-17-20(16)23(27)34-33-17)21(36(13)12-24(28,29)30)18-5-6-19(22(26)32-18)31-14-10-35(11-14)8-2-7-25/h3-6,13-14,21,31H,2,7-12H2,1H3,(H,33,34)/t13-,21+/m1/s1
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n/an/a 0.0480n/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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300961
PNG
(1-(3-Fluoropropyl)-N-(4-((6R,8R)-8-methyl-7-(2,2,2...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)cc1
Show InChI InChI=1S/C25H29F4N5/c1-16-11-21-20(7-8-23-22(21)12-30-32-23)24(34(16)15-25(27,28)29)17-3-5-18(6-4-17)31-19-13-33(14-19)10-2-9-26/h3-8,12,16,19,24,31H,2,9-11,13-15H2,1H3,(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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300933
PNG
(N-(3,5-difluoro-4-((6S,8R)-8-methyl-7-(2,2,2-trifl...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1c(F)cc(NC2CN(CCCF)C2)cc1F
Show InChI InChI=1S/C25H27F6N5/c1-14-7-18-17(3-4-22-19(18)10-32-34-22)24(36(14)13-25(29,30)31)23-20(27)8-15(9-21(23)28)33-16-11-35(12-16)6-2-5-26/h3-4,8-10,14,16,24,33H,2,5-7,11-13H2,1H3,(H,32,34)/t14-,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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300956
PNG
(Preparation of (6S,8R)-7-(2,2-difluoroethyl)-6-(4-...)
Show SMILES COc1cc(OC2CN(CCCF)C2)ccc1[C@H]1N(CC(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1S/C26H31F3N4O2/c1-16-10-21-19(6-7-23-22(21)12-30-31-23)26(33(16)15-25(28)29)20-5-4-17(11-24(20)34-2)35-18-13-32(14-18)9-3-8-27/h4-7,11-12,16,18,25-26H,3,8-10,13-15H2,1-2H3,(H,30,31)/t16-,26+/m1/s1
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AstraZeneca AB

US Patent


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


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300953
PNG
(Preparation of N-(4-((6S,8R)-7-(2,2-difluoropropyl...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC(C)(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1S/C27H34F3N5O/c1-17-11-22-20(7-8-24-23(22)13-31-33-24)26(35(17)16-27(2,29)30)21-6-5-18(12-25(21)36-3)32-19-14-34(15-19)10-4-9-28/h5-8,12-13,17,19,26,32H,4,9-11,14-16H2,1-3H3,(H,31,33)/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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300962
PNG
(Preparation of 1-(3-fluoropropyl)-N-(3-methoxy-4-(...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1S/C26H31F4N5O/c1-16-10-21-19(6-7-23-22(21)12-31-33-23)25(35(16)15-26(28,29)30)20-5-4-17(11-24(20)36-2)32-18-13-34(14-18)9-3-8-27/h4-7,11-12,16,18,25,32H,3,8-10,13-15H2,1-2H3,(H,31,33)/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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300983
PNG
(N-(4-((6S,8R)- 7-(2,2- difluoroethyl)- 8-methyl- 6...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)F)c1c(F)cc(NC2CN(CCCF)C2)cc1F
Show InChI InChI=1S/C25H28F5N5/c1-14-7-18-17(3-4-22-19(18)10-31-33-22)25(35(14)13-23(29)30)24-20(27)8-15(9-21(24)28)32-16-11-34(12-16)6-2-5-26/h3-4,8-10,14,16,23,25,32H,2,5-7,11-13H2,1H3,(H,31,33)/t14-,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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300929
PNG
(3-((6S,8R)-6-(2,6-difluoro-4-((1-(3-fluoropropyl)a...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)CO)c1c(F)cc(NC2CN(CCCF)C2)cc1F
Show InChI InChI=1S/C26H30F5N5O/c1-15-7-19-18(3-4-23-20(19)10-32-34-23)25(36(15)13-26(30,31)14-37)24-21(28)8-16(9-22(24)29)33-17-11-35(12-17)6-2-5-27/h3-4,8-10,15,17,25,33,37H,2,5-7,11-14H2,1H3,(H,32,34)/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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300982
PNG
(N-(4-((6R,8R)- 7-(2,2- difluoroethyl)- 8-methyl- 6...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)F)c1ccc(NC2CN(CCCF)C2)cc1
Show InChI InChI=1S/C25H30F3N5/c1-16-11-21-20(7-8-23-22(21)12-29-31-23)25(33(16)15-24(27)28)17-3-5-18(6-4-17)30-19-13-32(14-19)10-2-9-26/h3-8,12,16,19,24-25,30H,2,9-11,13-15H2,1H3,(H,29,31)/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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300942
PNG
(N-(3,5-difluoro-4-((6S,8R)-7-((1-fluorocyclopropyl...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC1(F)CC1)c1c(F)cc(NC2CN(CCCF)C2)cc1F
Show InChI InChI=1S/C27H31F4N5/c1-16-9-20-19(3-4-24-21(20)12-32-34-24)26(36(16)15-27(31)5-6-27)25-22(29)10-17(11-23(25)30)33-18-13-35(14-18)8-2-7-28/h3-4,10-12,16,18,26,33H,2,5-9,13-15H2,1H3,(H,32,34)/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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300966
PNG
(6-((6S,8R)-1-fluoro-8-methyl-7-(2,2,2-trifluoroeth...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]nc(F)c23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)cn1
Show InChI InChI=1S/C24H27F5N6/c1-14-9-18-17(4-6-19-21(18)23(26)33-32-19)22(35(14)13-24(27,28)29)20-5-3-15(10-30-20)31-16-11-34(12-16)8-2-7-25/h3-6,10,14,16,22,31H,2,7-9,11-13H2,1H3,(H,32,33)/t14-,22+/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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300955
PNG
(Preparation of N-(4-((6S,8R)-7-(2,2-difluoroethyl)...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1S/C26H32F3N5O/c1-16-10-21-19(6-7-23-22(21)12-30-32-23)26(34(16)15-25(28)29)20-5-4-17(11-24(20)35-2)31-18-13-33(14-18)9-3-8-27/h4-7,11-12,16,18,25-26,31H,3,8-10,13-15H2,1-2H3,(H,30,32)/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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300967
PNG
(5-Fluoro-6-((6S,8R)-1-fluoro-8-methyl-7-(2,2,2-tri...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]nc(F)c23)[C@H](N1CC(F)(F)F)c1ncc(NC2CN(CCCF)C2)cc1F
Show InChI InChI=1S/C24H26F6N6/c1-13-7-17-16(3-4-19-20(17)23(27)34-33-19)22(36(13)12-24(28,29)30)21-18(26)8-14(9-31-21)32-15-10-35(11-15)6-2-5-25/h3-4,8-9,13,15,22,32H,2,5-7,10-12H2,1H3,(H,33,34)/t13-,22+/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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300974
PNG
(6-fluoro-N-(1- (3- fluoropropyl) azetidin-3-yl)-5-...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)nc1F
Show InChI InChI=1S/C24H27F5N6/c1-14-9-18-16(3-5-20-19(18)10-30-33-20)22(35(14)13-24(27,28)29)17-4-6-21(32-23(17)26)31-15-11-34(12-15)8-2-7-25/h3-6,10,14-15,22H,2,7-9,11-13H2,1H3,(H,30,33)(H,31,32)/t14-,22+/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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300919
PNG
(N-(4-((6S,8R)-7-(2,2-difluoro-3-methoxypropyl)-8-m...)
Show SMILES COCC(F)(F)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(NC2CN(CCCF)C2)cc1OC
Show InChI InChI=1S/C28H36F3N5O2/c1-18-11-23-21(7-8-25-24(23)13-32-34-25)27(36(18)16-28(30,31)17-37-2)22-6-5-19(12-26(22)38-3)33-20-14-35(15-20)10-4-9-29/h5-8,12-13,18,20,27,33H,4,9-11,14-17H2,1-3H3,(H,32,34)/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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300944
PNG
(US10131663, Example 13)
Show SMILES COC[C@@](C)(F)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(OC2CN(CCCF)C2)cc1OC
Show InChI InChI=1S/C29H38F2N4O3/c1-19-12-24-22(8-9-26-25(24)14-32-33-26)28(35(19)17-29(2,31)18-36-3)23-7-6-20(13-27(23)37-4)38-21-15-34(16-21)11-5-10-30/h6-9,13-14,19,21,28H,5,10-12,15-18H2,1-4H3,(H,32,33)/t19-,28+,29+/m1/s1
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AstraZeneca AB

US Patent


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


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300969
PNG
(BDBM300970 | N-(1-(3- fluoropropyl) azetidin-3-yl)...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)cn1
Show InChI InChI=1S/C24H28F4N6/c1-15-9-19-18(4-6-21-20(19)11-30-32-21)23(34(15)14-24(26,27)28)22-5-3-16(10-29-22)31-17-12-33(13-17)8-2-7-25/h3-6,10-11,15,17,23,31H,2,7-9,12-14H2,1H3,(H,30,32)/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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300995
PNG
(2,2-difluoro-3- ((6S,8R)-1- fluoro-6-(5- ((1-(3- f...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]nc(F)c23)[C@H](N1CC(F)(F)CO)c1ccc(NC2CN(CCCF)C2)cn1
Show InChI InChI=1S/C25H30F4N6O/c1-15-9-19-18(4-6-20-22(19)24(27)33-32-20)23(35(15)13-25(28,29)14-36)21-5-3-16(10-30-21)31-17-11-34(12-17)8-2-7-26/h3-6,10,15,17,23,31,36H,2,7-9,11-14H2,1H3,(H,32,33)/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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300996
PNG
(2,2-difluoro-3- ((6S,8R)-1- fluoro-6-(6- fluoro-5-...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]nc(F)c23)[C@H](N1CC(F)(F)CO)c1ccc(NC2CN(CCCF)C2)c(F)n1
Show InChI InChI=1S/C25H29F5N6O/c1-14-9-17-16(3-4-18-21(17)24(28)34-33-18)22(36(14)12-25(29,30)13-37)19-5-6-20(23(27)32-19)31-15-10-35(11-15)8-2-7-26/h3-6,14-15,22,31,37H,2,7-13H2,1H3,(H,33,34)/t14-,22+/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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300957
PNG
(3-((6S,8R)-6-(2,6-difluoro-4-(1-(3-fluoropropyl)az...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1C[C@](C)(F)CO)c1c(F)cc(NC2CN(CCCF)C2)cc1F
Show InChI InChI=1S/C27H33F4N5O/c1-16-8-20-19(4-5-24-21(20)11-32-34-24)26(36(16)14-27(2,31)15-37)25-22(29)9-17(10-23(25)30)33-18-12-35(13-18)7-3-6-28/h4-5,9-11,16,18,26,33,37H,3,6-8,12-15H2,1-2H3,(H,32,34)/t16-,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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300951
PNG
(Preparation of N-[1-(3-fluoropropyl)azetidin-3-yl]...)
Show SMILES C[C@H](Cc1cccc(N)c1C)NC(=O)C(F)(F)F
Show InChI InChI=1S/C12H15F3N2O/c1-7(17-11(18)12(13,14)15)6-9-4-3-5-10(16)8(9)2/h3-5,7H,6,16H2,1-2H3,(H,17,18)/t7-/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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300969
PNG
(BDBM300970 | N-(1-(3- fluoropropyl) azetidin-3-yl)...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)cn1
Show InChI InChI=1S/C24H28F4N6/c1-15-9-19-18(4-6-21-20(19)11-30-32-21)23(34(15)14-24(26,27)28)22-5-3-16(10-29-22)31-17-12-33(13-17)8-2-7-25/h3-6,10-11,15,17,23,31H,2,7-9,12-14H2,1H3,(H,30,32)/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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300975
PNG
(N-(2-fluoro-4- ((6R,8R)-8- methyl-7- (2,2,2- trifl...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)c(F)c1
Show InChI InChI=1S/C25H28F5N5/c1-15-9-19-18(4-6-22-20(19)11-31-33-22)24(35(15)14-25(28,29)30)16-3-5-23(21(27)10-16)32-17-12-34(13-17)8-2-7-26/h3-6,10-11,15,17,24,32H,2,7-9,12-14H2,1H3,(H,31,33)/t15-,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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM301005
PNG
(5-fluoro-N-(1- (3- fluoropropyl) azetidin-3-yl)-6-...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)CF)c1ncc(NC2CN(CCCF)C2)cc1F
Show InChI InChI=1S/C25H29F5N6/c1-15-7-19-18(3-4-22-20(19)10-32-34-22)24(36(15)14-25(29,30)13-27)23-21(28)8-16(9-31-23)33-17-11-35(12-17)6-2-5-26/h3-4,8-10,15,17,24,33H,2,5-7,11-14H2,1H3,(H,32,34)/t15-,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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300972
PNG
(5-((6S,8R)-1- fluoro-8- methyl-7- (2,2,2- trifluor...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]nc(F)c23)[C@H](N1CC(F)(F)F)c1cnc(NC2CN(CCCF)C2)cn1
Show InChI InChI=1S/C23H26F5N7/c1-13-7-16-15(3-4-17-20(16)22(25)33-32-17)21(35(13)12-23(26,27)28)18-8-30-19(9-29-18)31-14-10-34(11-14)6-2-5-24/h3-4,8-9,13-14,21H,2,5-7,10-12H2,1H3,(H,30,31)(H,32,33)/t13-,21+/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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300994
PNG
(2,2-difluoro-3- ((6S,8R)-6-(4- ((1-(3- fluoropropy...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC(F)(F)CO)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1S/C27H34F3N5O2/c1-17-10-22-20(6-7-24-23(22)12-31-33-24)26(35(17)15-27(29,30)16-36)21-5-4-18(11-25(21)37-2)32-19-13-34(14-19)9-3-8-28/h4-7,11-12,17,19,26,32,36H,3,8-10,13-16H2,1-2H3,(H,31,33)/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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300963
PNG
(Preparation of 2-fluoro-N-(1-(3-fluoropropyl)azeti...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)c(F)n1
Show InChI InChI=1S/C24H27F5N6/c1-14-9-17-16(3-4-19-18(17)10-30-33-19)22(35(14)13-24(27,28)29)20-5-6-21(23(26)32-20)31-15-11-34(12-15)8-2-7-25/h3-6,10,14-15,22,31H,2,7-9,11-13H2,1H3,(H,30,33)/t14-,22+/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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300986
PNG
(N-(4-((6S,8R)- 7-((1- fluorocyclo- propyl)methyl)-...)
Show SMILES COc1cc(ccc1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1ccc1[nH]ncc21)N(C)C1CN(CCCF)C1
Show InChI InChI=1S/C29H37F2N5O/c1-19-13-24-22(7-8-26-25(24)15-32-33-26)28(36(19)18-29(31)9-10-29)23-6-5-20(14-27(23)37-3)34(2)21-16-35(17-21)12-4-11-30/h5-8,14-15,19,21,28H,4,9-13,16-18H2,1-3H3,(H,32,33)/t19-,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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300958
PNG
(US10131663, Example 24)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1C[C@@](C)(F)CO)c1c(F)cc(NC2CN(CCCF)C2)cc1F
Show InChI InChI=1S/C27H33F4N5O/c1-16-8-20-19(4-5-24-21(20)11-32-34-24)26(36(16)14-27(2,31)15-37)25-22(29)9-17(10-23(25)30)33-18-12-35(13-18)7-3-6-28/h4-5,9-11,16,18,26,33,37H,3,6-8,12-15H2,1-2H3,(H,32,34)/t16-,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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300968
PNG
(N-(1-(3- fluoropropyl) azetidin-3-yl)- N-methyl-6-...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(cn1)N(C)C1CN(CCCF)C1
Show InChI InChI=1S/C25H30F4N6/c1-16-10-20-19(5-7-22-21(20)12-31-32-22)24(35(16)15-25(27,28)29)23-6-4-17(11-30-23)33(2)18-13-34(14-18)9-3-8-26/h4-7,11-12,16,18,24H,3,8-10,13-15H2,1-2H3,(H,31,32)/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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300998
PNG
(N-(4-((6S,8R)- 7-(2-fluoro-2- methylpropyl)- 8-met...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC(C)(C)F)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1S/C28H37F2N5O/c1-18-12-23-21(8-9-25-24(23)14-31-33-25)27(35(18)17-28(2,3)30)22-7-6-19(13-26(22)36-4)32-20-15-34(16-20)11-5-10-29/h6-9,13-14,18,20,27,32H,5,10-12,15-17H2,1-4H3,(H,31,33)/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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300943
PNG
((6S,8R)-7-(2-fluoro-3-methoxy-2-methylpropyl)-6-(4...)
Show SMILES COC[C@](C)(F)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(OC2CN(CCCF)C2)cc1OC
Show InChI InChI=1S/C29H38F2N4O3/c1-19-12-24-22(8-9-26-25(24)14-32-33-26)28(35(19)17-29(2,31)18-36-3)23-7-6-20(13-27(23)37-4)38-21-15-34(16-21)11-5-10-30/h6-9,13-14,19,21,28H,5,10-12,15-18H2,1-4H3,(H,32,33)/t19-,28+,29-/m1/s1
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AstraZeneca AB

US Patent


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


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300977
PNG
(6-((6S,8R)-7- (2,2- difluoroethyl)- 8-methyl- 6,7,...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)F)c1ccc(cn1)N(C)C1CN(CCCF)C1
Show InChI InChI=1S/C25H31F3N6/c1-16-10-20-19(5-7-22-21(20)12-30-31-22)25(34(16)15-24(27)28)23-6-4-17(11-29-23)32(2)18-13-33(14-18)9-3-8-26/h4-7,11-12,16,18,24-25H,3,8-10,13-15H2,1-2H3,(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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300987
PNG
(N-(2-fluoro-4- ((6S,8R)-7-((1- fluorocyclo- propyl...)
Show SMILES COc1cc(NC2CN(CCCF)C2)c(F)cc1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1S/C28H34F3N5O/c1-17-10-20-19(4-5-24-22(20)13-32-34-24)27(36(17)16-28(31)6-7-28)21-11-23(30)25(12-26(21)37-2)33-18-14-35(15-18)9-3-8-29/h4-5,11-13,17-18,27,33H,3,6-10,14-16H2,1-2H3,(H,32,34)/t17-,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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300936
PNG
(N-(4-((6S,8R)-7-((3-(fluoromethyl)oxetan-3-yl)meth...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC2(CF)COC2)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1S/C29H37F2N5O2/c1-19-10-24-22(6-7-26-25(24)12-32-34-26)28(36(19)16-29(15-31)17-38-18-29)23-5-4-20(11-27(23)37-2)33-21-13-35(14-21)9-3-8-30/h4-7,11-12,19,21,28,33H,3,8-10,13-18H2,1-2H3,(H,32,34)/t19-,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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM301001
PNG
(1-(3- fluoropropyl)- N-(4-((6S,8R)- 7-(2- fluoropr...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC(C)F)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1S/C27H35F2N5O/c1-17(29)14-34-18(2)11-23-21(7-8-25-24(23)13-30-32-25)27(34)22-6-5-19(12-26(22)35-3)31-20-15-33(16-20)10-4-9-28/h5-8,12-13,17-18,20,27,31H,4,9-11,14-16H2,1-3H3,(H,30,32)/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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300976
PNG
(N-(1-(3- fluoropropyl) azetidin-3-yl)-5- ((6S,8R)-...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1cnc(NC2CN(CCCF)C2)cn1
Show InChI InChI=1S/C23H27F4N7/c1-14-7-17-16(3-4-19-18(17)8-30-32-19)22(34(14)13-23(25,26)27)20-9-29-21(10-28-20)31-15-11-33(12-15)6-2-5-24/h3-4,8-10,14-15,22H,2,5-7,11-13H2,1H3,(H,29,31)(H,30,32)/t14-,22+/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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300964
PNG
(5-fluoro-N-(1-(3-fluoropropyl)azetidin-3-yl)-6-((6...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ncc(NC2CN(CCCF)C2)cc1F
Show InChI InChI=1S/C24H27F5N6/c1-14-7-18-17(3-4-21-19(18)10-31-33-21)23(35(14)13-24(27,28)29)22-20(26)8-15(9-30-22)32-16-11-34(12-16)6-2-5-25/h3-4,8-10,14,16,23,32H,2,5-7,11-13H2,1H3,(H,31,33)/t14-,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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300979
PNG
(N-(4-((6S,8R)- 7-(2,2- difluoroethyl)- 6,8-dimethy...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ccc1[C@@]1(C)N(CC(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1S/C27H34F3N5O/c1-17-11-20-21-13-31-33-24(21)8-7-22(20)27(2,35(17)16-26(29)30)23-6-5-18(12-25(23)36-3)32-19-14-34(15-19)10-4-9-28/h5-8,12-13,17,19,26,32H,4,9-11,14-16H2,1-3H3,(H,31,33)/t17-,27+/m1/s1
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n/an/a 0.300n/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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM301004
PNG
(6-((6S,8R)-7- (2,2- difluoropropyl)- 8-methyl- 6,7...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(C)(F)F)c1ccc(NC2CN(CCCF)C2)cn1
Show InChI InChI=1S/C25H31F3N6/c1-16-10-20-19(5-7-22-21(20)12-30-32-22)24(34(16)15-25(2,27)28)23-6-4-17(11-29-23)31-18-13-33(14-18)9-3-8-26/h4-7,11-12,16,18,24,31H,3,8-10,13-15H2,1-2H3,(H,30,32)/t16-,24+/m1/s1
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n/an/a 0.310n/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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300997
PNG
(6-((6S,8R)-7- (2-fluoro-2- methylpropyl)- 8-methyl...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(C)(C)F)c1ccc(NC2CN(CCCF)C2)cn1
Show InChI InChI=1S/C26H34F2N6/c1-17-11-21-20(6-8-23-22(21)13-30-32-23)25(34(17)16-26(2,3)28)24-7-5-18(12-29-24)31-19-14-33(15-19)10-4-9-27/h5-8,12-13,17,19,25,31H,4,9-11,14-16H2,1-3H3,(H,30,32)/t17-,25+/m1/s1
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n/an/a 0.310n/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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300959
PNG
(Preparation of 6-((6S,8R)-7-(2,2-difluoroethyl)-8-...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)F)c1ccc(NC2CN(CCCF)C2)cn1
Show InChI InChI=1S/C24H29F3N6/c1-15-9-19-18(4-6-21-20(19)11-29-31-21)24(33(15)14-23(26)27)22-5-3-16(10-28-22)30-17-12-32(13-17)8-2-7-25/h3-6,10-11,15,17,23-24,30H,2,7-9,12-14H2,1H3,(H,29,31)/t15-,24+/m1/s1
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n/an/a 0.330n/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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300947
PNG
(US10131663, Example 15)
Show SMILES COC[C@@](C)(F)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(NC2CN(CCCF)C2)cc1OC
Show InChI InChI=1S/C29H39F2N5O2/c1-19-12-24-22(8-9-26-25(24)14-32-34-26)28(36(19)17-29(2,31)18-37-3)23-7-6-20(13-27(23)38-4)33-21-15-35(16-21)11-5-10-30/h6-9,13-14,19,21,28,33H,5,10-12,15-18H2,1-4H3,(H,32,34)/t19-,28+,29+/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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300925
PNG
(N-(4-((6S,8R)-7-(2-fluoro-3-methoxy-2-methylpropyl...)
Show SMILES COCC(C)(F)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(NC2CN(CCCF)C2)cc1OC
Show InChI InChI=1S/C29H39F2N5O2/c1-19-12-24-22(8-9-26-25(24)14-32-34-26)28(36(19)17-29(2,31)18-37-3)23-7-6-20(13-27(23)38-4)33-21-15-35(16-21)11-5-10-30/h6-9,13-14,19,21,28,33H,5,10-12,15-18H2,1-4H3,(H,32,34)/t19-,28+,29?/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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300930
PNG
(N-(4-((6S,8R)-7-((1-fluorocyclopropyl)methyl)-8-me...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1S/C28H35F2N5O/c1-18-12-23-21(6-7-25-24(23)14-31-33-25)27(35(18)17-28(30)8-9-28)22-5-4-19(13-26(22)36-2)32-20-15-34(16-20)11-3-10-29/h4-7,13-14,18,20,27,32H,3,8-12,15-17H2,1-2H3,(H,31,33)/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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300954
PNG
(Preparation of N-(3-ethoxy-4-((6S,8R)-7-((1-fluoro...)
Show SMILES CCOc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1S/C29H37F2N5O/c1-3-37-27-14-20(33-21-16-35(17-21)12-4-11-30)5-6-23(27)28-22-7-8-26-25(15-32-34-26)24(22)13-19(2)36(28)18-29(31)9-10-29/h5-8,14-15,19,21,28,33H,3-4,9-13,16-18H2,1-2H3,(H,32,34)/t19-,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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300991
PNG
(6-((6S,8R)-7- ((1- fluorocyclo- propyl)methyl)-8- ...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC1(F)CC1)c1ccc(cn1)N(C)C1CN(CCCF)C1
Show InChI InChI=1S/C27H34F2N6/c1-18-12-22-21(5-7-24-23(22)14-31-32-24)26(35(18)17-27(29)8-9-27)25-6-4-19(13-30-25)33(2)20-15-34(16-20)11-3-10-28/h4-7,13-14,18,20,26H,3,8-12,15-17H2,1-2H3,(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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300931
PNG
((6S,8R)-7-((1-fluorocyclopropyl)methyl)-6-(4-((1-(...)
Show SMILES COc1cc(OC2CN(CCCF)C2)ccc1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1S/C28H34F2N4O2/c1-18-12-23-21(6-7-25-24(23)14-31-32-25)27(34(18)17-28(30)8-9-28)22-5-4-19(13-26(22)35-2)36-20-15-33(16-20)11-3-10-29/h4-7,13-14,18,20,27H,3,8-12,15-17H2,1-2H3,(H,31,32)/t18-,27+/m1/s1
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AstraZeneca AB

US Patent


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


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300980
PNG
(6-((6S,8R)-7- (2,2- difluoroethyl)- 8-methyl- 6,7,...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)F)c1ncc(NC2CN(CCCF)C2)cc1F
Show InChI InChI=1S/C24H28F4N6/c1-14-7-18-17(3-4-21-19(18)10-30-32-21)24(34(14)13-22(27)28)23-20(26)8-15(9-29-23)31-16-11-33(12-16)6-2-5-25/h3-4,8-10,14,16,22,24,31H,2,5-7,11-13H2,1H3,(H,30,32)/t14-,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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM301001
PNG
(1-(3- fluoropropyl)- N-(4-((6S,8R)- 7-(2- fluoropr...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC(C)F)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1S/C27H35F2N5O/c1-17(29)14-34-18(2)11-23-21(7-8-25-24(23)13-30-32-25)27(34)22-6-5-19(12-26(22)35-3)31-20-15-33(16-20)10-4-9-28/h5-8,12-13,17-18,20,27,31H,4,9-11,14-16H2,1-3H3,(H,30,32)/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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300981
PNG
(6-((6S,8R)-7- (2,2- difluoroethyl)- 8-methyl- 6,7,...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)F)c1ccc(NC2CN(CCCF)C2)c(F)n1
Show InChI InChI=1S/C24H28F4N6/c1-14-9-17-16(3-4-19-18(17)10-29-32-19)23(34(14)13-22(26)27)20-5-6-21(24(28)31-20)30-15-11-33(12-15)8-2-7-25/h3-6,10,14-15,22-23,30H,2,7-9,11-13H2,1H3,(H,29,32)/t14-,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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300952
PNG
(5-fluoro-6-((6S,8R)-7-((1-fluorocyclopropyl)methyl...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC1(F)CC1)c1ncc(NC2CN(CCCF)C2)cc1F
Show InChI InChI=1S/C26H31F3N6/c1-16-9-20-19(3-4-23-21(20)12-31-33-23)25(35(16)15-26(29)5-6-26)24-22(28)10-17(11-30-24)32-18-13-34(14-18)8-2-7-27/h3-4,10-12,16,18,25,32H,2,5-9,13-15H2,1H3,(H,31,33)/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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300999
PNG
(6-((6S,8R)-7- (2- fluoropropyl)- 8-methyl- 6,7,8,9...)
Show SMILES CC(F)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(NC2CN(CCCF)C2)cn1
Show InChI InChI=1S/C25H32F2N6/c1-16(27)13-33-17(2)10-21-20(5-7-23-22(21)12-29-31-23)25(33)24-6-4-18(11-28-24)30-19-14-32(15-19)9-3-8-26/h4-7,11-12,16-17,19,25,30H,3,8-10,13-15H2,1-2H3,(H,29,31)/t16?,17-,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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300984
PNG
(5-((6S,8R)-7- (2,2- difluoroethyl)- 8-methyl- 6,7,...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)F)c1cnc(NC2CN(CCCF)C2)cn1
Show InChI InChI=1S/C23H28F3N7/c1-14-7-17-16(3-4-19-18(17)8-29-31-19)23(33(14)13-21(25)26)20-9-28-22(10-27-20)30-15-11-32(12-15)6-2-5-24/h3-4,8-10,14-15,21,23H,2,5-7,11-13H2,1H3,(H,28,30)(H,29,31)/t14-,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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM301006
PNG
((S)-6-(8,8- dimethyl-7- (2,2,2- trifluoroethyl)- 6...)
Show SMILES CC1(C)Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)cn1
Show InChI InChI=1S/C25H30F4N6/c1-24(2)10-19-18(5-7-21-20(19)12-31-33-21)23(35(24)15-25(27,28)29)22-6-4-16(11-30-22)32-17-13-34(14-17)9-3-8-26/h4-7,11-12,17,23,32H,3,8-10,13-15H2,1-2H3,(H,31,33)/t23-/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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300960
PNG
(Preparation of (6S,8R)-7-(2,2-difluoroethyl)-6-(5-...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)F)c1ccc(OC2CN(CCCF)C2)cn1
Show InChI InChI=1S/C24H28F3N5O/c1-15-9-19-18(4-6-21-20(19)11-29-30-21)24(32(15)14-23(26)27)22-5-3-16(10-28-22)33-17-12-31(13-17)8-2-7-25/h3-6,10-11,15,17,23-24H,2,7-9,12-14H2,1H3,(H,29,30)/t15-,24+/m1/s1
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AstraZeneca AB

US Patent


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


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300965
PNG
(2,2-Difluoro-3-((6S,8R)-6-(3-fluoro-5-((1-(3-fluor...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)CO)c1ncc(NC2CN(CCCF)C2)cc1F
Show InChI InChI=1S/C25H30F4N6O/c1-15-7-19-18(3-4-22-20(19)10-31-33-22)24(35(15)13-25(28,29)14-36)23-21(27)8-16(9-30-23)32-17-11-34(12-17)6-2-5-26/h3-4,8-10,15,17,24,32,36H,2,5-7,11-14H2,1H3,(H,31,33)/t15-,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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300950
PNG
(Preparation of 2,2-difluoro-3-((6S,8R)-6-(5-((1-(3...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)CO)c1ccc(NC2CN(CCCF)C2)cn1
Show InChI InChI=1S/C25H31F3N6O/c1-16-9-20-19(4-6-22-21(20)11-30-32-22)24(34(16)14-25(27,28)15-35)23-5-3-17(10-29-23)31-18-12-33(13-18)8-2-7-26/h3-6,10-11,16,18,24,31,35H,2,7-9,12-15H2,1H3,(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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM301003
PNG
(N-(1-(3- fluoropropyl) azetidin-3-yl)-6- ((6S,8R)...)
Show SMILES CC(C)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(NC2CN(CCCF)C2)cn1
Show InChI InChI=1S/C26H35FN6/c1-17(2)14-33-18(3)11-22-21(6-8-24-23(22)13-29-31-24)26(33)25-7-5-19(12-28-25)30-20-15-32(16-20)10-4-9-27/h5-8,12-13,17-18,20,26,30H,4,9-11,14-16H2,1-3H3,(H,29,31)/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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300992
PNG
(2,2-difluoro-3- ((6S,8R)-6-(5- ((1-(3- fluoropropy...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)CO)c1ccc(OC2CN(CCCF)C2)cn1
Show InChI InChI=1S/C25H30F3N5O2/c1-16-9-20-19(4-6-22-21(20)11-30-31-22)24(33(16)14-25(27,28)15-34)23-5-3-17(10-29-23)35-18-12-32(13-18)8-2-7-26/h3-6,10-11,16,18,24,34H,2,7-9,12-15H2,1H3,(H,30,31)/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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300990
PNG
(N-(4-((6S,8R)- 7-((1- fluorocyclo- propyl)methyl)-...)
Show SMILES COc1cc(NC2CN(CCC(F)(F)F)C2)ccc1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1S/C28H33F4N5O/c1-17-11-22-20(5-6-24-23(22)13-33-35-24)26(37(17)16-27(29)7-8-27)21-4-3-18(12-25(21)38-2)34-19-14-36(15-19)10-9-28(30,31)32/h3-6,12-13,17,19,26,34H,7-11,14-16H2,1-2H3,(H,33,35)/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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300924
PNG
(6-((6S,8R)-7-((1-fluorocyclopropyl)methyl)-8-methy...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC1(F)CC1)c1ccc(NC2CN(CCCF)C2)cn1
Show InChI InChI=1S/C26H32F2N6/c1-17-11-21-20(4-6-23-22(21)13-30-32-23)25(34(17)16-26(28)7-8-26)24-5-3-18(12-29-24)31-19-14-33(15-19)10-2-9-27/h3-6,12-13,17,19,25,31H,2,7-11,14-16H2,1H3,(H,30,32)/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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300985
PNG
(6-((6S,8S)-7- (2,2- difluoroethyl)- 8- (difluorome...)
Show SMILES FCCCN1CC(C1)Nc1ccc(nc1)[C@H]1N(CC(F)F)[C@@H](Cc2c1ccc1[nH]ncc21)C(F)F
Show InChI InChI=1S/C24H27F5N6/c25-6-1-7-34-11-15(12-34)32-14-2-4-20(30-9-14)23-16-3-5-19-18(10-31-33-19)17(16)8-21(24(28)29)35(23)13-22(26)27/h2-5,9-10,15,21-24,32H,1,6-8,11-13H2,(H,31,33)/t21-,23-/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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300972
PNG
(5-((6S,8R)-1- fluoro-8- methyl-7- (2,2,2- trifluor...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]nc(F)c23)[C@H](N1CC(F)(F)F)c1cnc(NC2CN(CCCF)C2)cn1
Show InChI InChI=1S/C23H26F5N7/c1-13-7-16-15(3-4-17-20(16)22(25)33-32-17)21(35(13)12-23(26,27)28)18-8-30-19(9-29-18)31-14-10-34(11-14)6-2-5-24/h3-4,8-9,13-14,21H,2,5-7,10-12H2,1H3,(H,30,31)(H,32,33)/t13-,21+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM301007
PNG
((S)-6-(7-(2,2- difluoroethyl)- 8,8-dimethyl- 6,7,8...)
Show SMILES CC1(C)Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)F)c1ccc(NC2CN(CCCF)C2)cn1
Show InChI InChI=1S/C25H31F3N6/c1-25(2)10-19-18(5-7-21-20(19)12-30-32-21)24(34(25)15-23(27)28)22-6-4-16(11-29-22)31-17-13-33(14-17)9-3-8-26/h4-7,11-12,17,23-24,31H,3,8-10,13-15H2,1-2H3,(H,30,32)/t24-/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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300961
PNG
(1-(3-Fluoropropyl)-N-(4-((6R,8R)-8-methyl-7-(2,2,2...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)cc1
Show InChI InChI=1S/C25H29F4N5/c1-16-11-21-20(7-8-23-22(21)12-30-32-23)24(34(16)15-25(27,28)29)17-3-5-18(6-4-17)31-19-13-33(14-19)10-2-9-26/h3-8,12,16,19,24,31H,2,9-11,13-15H2,1H3,(H,30,32)/t16-,24-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300995
PNG
(2,2-difluoro-3- ((6S,8R)-1- fluoro-6-(5- ((1-(3- f...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]nc(F)c23)[C@H](N1CC(F)(F)CO)c1ccc(NC2CN(CCCF)C2)cn1
Show InChI InChI=1S/C25H30F4N6O/c1-15-9-19-18(4-6-20-22(19)24(27)33-32-20)23(35(15)13-25(28,29)14-36)21-5-3-16(10-30-21)31-17-11-34(12-17)8-2-7-26/h3-6,10,15,17,23,31,36H,2,7-9,11-14H2,1H3,(H,32,33)/t15-,23+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300978
PNG
(6-((6S,8R)-7- (2,2- difluoroethyl)- 6,8-dimethyl- ...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@](C)(N1CC(F)F)c1ccc(NC2CN(CCCF)C2)cn1
Show InChI InChI=1S/C25H31F3N6/c1-16-10-19-20-12-30-32-22(20)6-5-21(19)25(2,34(16)15-24(27)28)23-7-4-17(11-29-23)31-18-13-33(14-18)9-3-8-26/h4-7,11-12,16,18,24,31H,3,8-10,13-15H2,1-2H3,(H,30,32)/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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300973
PNG
(2-fluoro-6- ((6S,8R)-1- fluoro-8- methyl-7- (2,2,2...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]nc(F)c23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)c(F)n1
Show InChI InChI=1S/C24H26F6N6/c1-13-9-16-15(3-4-17-20(16)23(27)34-33-17)21(36(13)12-24(28,29)30)18-5-6-19(22(26)32-18)31-14-10-35(11-14)8-2-7-25/h3-6,13-14,21,31H,2,7-12H2,1H3,(H,33,34)/t13-,21+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300999
PNG
(6-((6S,8R)-7- (2- fluoropropyl)- 8-methyl- 6,7,8,9...)
Show SMILES CC(F)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(NC2CN(CCCF)C2)cn1
Show InChI InChI=1S/C25H32F2N6/c1-16(27)13-33-17(2)10-21-20(5-7-23-22(21)12-29-31-23)25(33)24-6-4-18(11-28-24)30-19-14-32(15-19)9-3-8-26/h4-7,11-12,16-17,19,25,30H,3,8-10,13-15H2,1-2H3,(H,29,31)/t16?,17-,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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300996
PNG
(2,2-difluoro-3- ((6S,8R)-1- fluoro-6-(6- fluoro-5-...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]nc(F)c23)[C@H](N1CC(F)(F)CO)c1ccc(NC2CN(CCCF)C2)c(F)n1
Show InChI InChI=1S/C25H29F5N6O/c1-14-9-17-16(3-4-18-21(17)24(28)34-33-18)22(36(14)12-25(29,30)13-37)19-5-6-20(23(27)32-19)31-15-10-35(11-15)8-2-7-26/h3-6,14-15,22,31,37H,2,7-13H2,1H3,(H,33,34)/t14-,22+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300989
PNG
(5-((6S,8R)-7- ((1- fluorocyclo- propyl)methyl)-8- ...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC1(F)CC1)c1cnc(NC2CN(CCCF)C2)cn1
Show InChI InChI=1S/C25H31F2N7/c1-16-9-19-18(3-4-21-20(19)10-30-32-21)24(34(16)15-25(27)5-6-25)22-11-29-23(12-28-22)31-17-13-33(14-17)8-2-7-26/h3-4,10-12,16-17,24H,2,5-9,13-15H2,1H3,(H,29,31)(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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300981
PNG
(6-((6S,8R)-7- (2,2- difluoroethyl)- 8-methyl- 6,7,...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)F)c1ccc(NC2CN(CCCF)C2)c(F)n1
Show InChI InChI=1S/C24H28F4N6/c1-14-9-17-16(3-4-19-18(17)10-29-32-19)23(34(14)13-22(26)27)20-5-6-21(24(28)31-20)30-15-11-33(12-15)8-2-7-25/h3-6,10,14-15,22-23,30H,2,7-9,11-13H2,1H3,(H,29,32)/t14-,23+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300974
PNG
(6-fluoro-N-(1- (3- fluoropropyl) azetidin-3-yl)-5-...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)nc1F
Show InChI InChI=1S/C24H27F5N6/c1-14-9-18-16(3-5-20-19(18)10-30-33-20)22(35(14)13-24(27,28)29)17-4-6-21(32-23(17)26)31-15-11-34(12-15)8-2-7-25/h3-6,10,14-15,22H,2,7-9,11-13H2,1H3,(H,30,33)(H,31,32)/t14-,22+/m1/s1
PDB

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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300967
PNG
(5-Fluoro-6-((6S,8R)-1-fluoro-8-methyl-7-(2,2,2-tri...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]nc(F)c23)[C@H](N1CC(F)(F)F)c1ncc(NC2CN(CCCF)C2)cc1F
Show InChI InChI=1S/C24H26F6N6/c1-13-7-17-16(3-4-19-20(17)23(27)34-33-19)22(36(13)12-24(28,29)30)21-18(26)8-14(9-31-21)32-15-10-35(11-15)6-2-5-25/h3-4,8-9,13,15,22,32H,2,5-7,10-12H2,1H3,(H,33,34)/t13-,22+/m1/s1
PDB

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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300969
PNG
(BDBM300970 | N-(1-(3- fluoropropyl) azetidin-3-yl)...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)cn1
Show InChI InChI=1S/C24H28F4N6/c1-15-9-19-18(4-6-21-20(19)11-30-32-21)23(34(15)14-24(26,27)28)22-5-3-16(10-29-22)31-17-12-33(13-17)8-2-7-25/h3-6,10-11,15,17,23,31H,2,7-9,12-14H2,1H3,(H,30,32)/t15-,23+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300982
PNG
(N-(4-((6R,8R)- 7-(2,2- difluoroethyl)- 8-methyl- 6...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)F)c1ccc(NC2CN(CCCF)C2)cc1
Show InChI InChI=1S/C25H30F3N5/c1-16-11-21-20(7-8-23-22(21)12-29-31-23)25(33(16)15-24(27)28)17-3-5-18(6-4-17)30-19-13-32(14-19)10-2-9-26/h3-8,12,16,19,24-25,30H,2,9-11,13-15H2,1H3,(H,29,31)/t16-,25-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300983
PNG
(N-(4-((6S,8R)- 7-(2,2- difluoroethyl)- 8-methyl- 6...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)F)c1c(F)cc(NC2CN(CCCF)C2)cc1F
Show InChI InChI=1S/C25H28F5N5/c1-14-7-18-17(3-4-22-19(18)10-31-33-22)25(35(14)13-23(29)30)24-20(27)8-15(9-21(24)28)32-16-11-34(12-16)6-2-5-26/h3-4,8-10,14,16,23,25,32H,2,5-7,11-13H2,1H3,(H,31,33)/t14-,25+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300963
PNG
(Preparation of 2-fluoro-N-(1-(3-fluoropropyl)azeti...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)c(F)n1
Show InChI InChI=1S/C24H27F5N6/c1-14-9-17-16(3-4-19-18(17)10-30-33-19)22(35(14)13-24(27,28)29)20-5-6-21(23(26)32-20)31-15-11-34(12-15)8-2-7-25/h3-6,10,14-15,22,31H,2,7-9,11-13H2,1H3,(H,30,33)/t14-,22+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300979
PNG
(N-(4-((6S,8R)- 7-(2,2- difluoroethyl)- 6,8-dimethy...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ccc1[C@@]1(C)N(CC(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1S/C27H34F3N5O/c1-17-11-20-21-13-31-33-24(21)8-7-22(20)27(2,35(17)16-26(29)30)23-6-5-18(12-25(23)36-3)32-19-14-34(15-19)10-4-9-28/h5-8,12-13,17,19,26,32H,4,9-11,14-16H2,1-3H3,(H,31,33)/t17-,27+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300993
PNG
(2,2-difluoro-3- ((6S,8R)-6-(3- fluoro-5-((1- (3- f...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)CO)c1ncc(OC2CN(CCCF)C2)cc1F
Show InChI InChI=1S/C25H29F4N5O2/c1-15-7-19-18(3-4-22-20(19)10-31-32-22)24(34(15)13-25(28,29)14-35)23-21(27)8-16(9-30-23)36-17-11-33(12-17)6-2-5-26/h3-4,8-10,15,17,24,35H,2,5-7,11-14H2,1H3,(H,31,32)/t15-,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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300969
PNG
(BDBM300970 | N-(1-(3- fluoropropyl) azetidin-3-yl)...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)cn1
Show InChI InChI=1S/C24H28F4N6/c1-15-9-19-18(4-6-21-20(19)11-30-32-21)23(34(15)14-24(26,27)28)22-5-3-16(10-29-22)31-17-12-33(13-17)8-2-7-25/h3-6,10-11,15,17,23,31H,2,7-9,12-14H2,1H3,(H,30,32)/t15-,23+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300964
PNG
(5-fluoro-N-(1-(3-fluoropropyl)azetidin-3-yl)-6-((6...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ncc(NC2CN(CCCF)C2)cc1F
Show InChI InChI=1S/C24H27F5N6/c1-14-7-18-17(3-4-21-19(18)10-31-33-21)23(35(14)13-24(27,28)29)22-20(26)8-15(9-30-22)32-16-11-34(12-16)6-2-5-25/h3-4,8-10,14,16,23,32H,2,5-7,11-13H2,1H3,(H,31,33)/t14-,23+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300968
PNG
(N-(1-(3- fluoropropyl) azetidin-3-yl)- N-methyl-6-...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(cn1)N(C)C1CN(CCCF)C1
Show InChI InChI=1S/C25H30F4N6/c1-16-10-20-19(5-7-22-21(20)12-31-32-22)24(35(16)15-25(27,28)29)23-6-4-17(11-30-23)33(2)18-13-34(14-18)9-3-8-26/h4-7,11-12,16,18,24H,3,8-10,13-15H2,1-2H3,(H,31,32)/t16-,24+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300933
PNG
(N-(3,5-difluoro-4-((6S,8R)-8-methyl-7-(2,2,2-trifl...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1c(F)cc(NC2CN(CCCF)C2)cc1F
Show InChI InChI=1S/C25H27F6N5/c1-14-7-18-17(3-4-22-19(18)10-32-34-22)24(36(14)13-25(29,30)31)23-20(27)8-15(9-21(23)28)33-16-11-35(12-16)6-2-5-26/h3-4,8-10,14,16,24,33H,2,5-7,11-13H2,1H3,(H,32,34)/t14-,24+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM301005
PNG
(5-fluoro-N-(1- (3- fluoropropyl) azetidin-3-yl)-6-...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)CF)c1ncc(NC2CN(CCCF)C2)cc1F
Show InChI InChI=1S/C25H29F5N6/c1-15-7-19-18(3-4-22-20(19)10-32-34-22)24(36(15)14-25(29,30)13-27)23-21(28)8-16(9-31-23)33-17-11-35(12-17)6-2-5-26/h3-4,8-10,15,17,24,33H,2,5-7,11-14H2,1H3,(H,32,34)/t15-,24+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300966
PNG
(6-((6S,8R)-1-fluoro-8-methyl-7-(2,2,2-trifluoroeth...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]nc(F)c23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)cn1
Show InChI InChI=1S/C24H27F5N6/c1-14-9-18-17(4-6-19-21(18)23(26)33-32-19)22(35(14)13-24(27,28)29)20-5-3-15(10-30-20)31-16-11-34(12-16)8-2-7-25/h3-6,10,14,16,22,31H,2,7-9,11-13H2,1H3,(H,32,33)/t14-,22+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300992
PNG
(2,2-difluoro-3- ((6S,8R)-6-(5- ((1-(3- fluoropropy...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)CO)c1ccc(OC2CN(CCCF)C2)cn1
Show InChI InChI=1S/C25H30F3N5O2/c1-16-9-20-19(4-6-22-21(20)11-30-31-22)24(33(16)14-25(27,28)15-34)23-5-3-17(10-29-23)35-18-12-32(13-18)8-2-7-26/h3-6,10-11,16,18,24,34H,2,7-9,12-15H2,1H3,(H,30,31)/t16-,24+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300955
PNG
(Preparation of N-(4-((6S,8R)-7-(2,2-difluoroethyl)...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1S/C26H32F3N5O/c1-16-10-21-19(6-7-23-22(21)12-30-32-23)26(34(16)15-25(28)29)20-5-4-17(11-24(20)35-2)31-18-13-33(14-18)9-3-8-27/h4-7,11-12,16,18,25-26,31H,3,8-10,13-15H2,1-2H3,(H,30,32)/t16-,26+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300929
PNG
(3-((6S,8R)-6-(2,6-difluoro-4-((1-(3-fluoropropyl)a...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)CO)c1c(F)cc(NC2CN(CCCF)C2)cc1F
Show InChI InChI=1S/C26H30F5N5O/c1-15-7-19-18(3-4-23-20(19)10-32-34-23)25(36(15)13-26(30,31)14-37)24-21(28)8-16(9-22(24)29)33-17-11-35(12-17)6-2-5-27/h3-4,8-10,15,17,25,33,37H,2,5-7,11-14H2,1H3,(H,32,34)/t15-,25+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300951
PNG
(Preparation of N-[1-(3-fluoropropyl)azetidin-3-yl]...)
Show SMILES C[C@H](Cc1cccc(N)c1C)NC(=O)C(F)(F)F
Show InChI InChI=1S/C12H15F3N2O/c1-7(17-11(18)12(13,14)15)6-9-4-3-5-10(16)8(9)2/h3-5,7H,6,16H2,1-2H3,(H,17,18)/t7-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300943
PNG
((6S,8R)-7-(2-fluoro-3-methoxy-2-methylpropyl)-6-(4...)
Show SMILES COC[C@](C)(F)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(OC2CN(CCCF)C2)cc1OC
Show InChI InChI=1S/C29H38F2N4O3/c1-19-12-24-22(8-9-26-25(24)14-32-33-26)28(35(19)17-29(2,31)18-36-3)23-7-6-20(13-27(23)37-4)38-21-15-34(16-21)11-5-10-30/h6-9,13-14,19,21,28H,5,10-12,15-18H2,1-4H3,(H,32,33)/t19-,28+,29-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300975
PNG
(N-(2-fluoro-4- ((6R,8R)-8- methyl-7- (2,2,2- trifl...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)c(F)c1
Show InChI InChI=1S/C25H28F5N5/c1-15-9-19-18(4-6-22-20(19)11-31-33-22)24(35(15)14-25(28,29)30)16-3-5-23(21(27)10-16)32-17-12-34(13-17)8-2-7-26/h3-6,10-11,15,17,24,32H,2,7-9,12-14H2,1H3,(H,31,33)/t15-,24-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300953
PNG
(Preparation of N-(4-((6S,8R)-7-(2,2-difluoropropyl...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC(C)(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1S/C27H34F3N5O/c1-17-11-22-20(7-8-24-23(22)13-31-33-24)26(35(17)16-27(2,29)30)21-6-5-18(12-25(21)36-3)32-19-14-34(15-19)10-4-9-28/h5-8,12-13,17,19,26,32H,4,9-11,14-16H2,1-3H3,(H,31,33)/t17-,26+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300984
PNG
(5-((6S,8R)-7- (2,2- difluoroethyl)- 8-methyl- 6,7,...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)F)c1cnc(NC2CN(CCCF)C2)cn1
Show InChI InChI=1S/C23H28F3N7/c1-14-7-17-16(3-4-19-18(17)8-29-31-19)23(33(14)13-21(25)26)20-9-28-22(10-27-20)30-15-11-32(12-15)6-2-5-24/h3-4,8-10,14-15,21,23H,2,5-7,11-13H2,1H3,(H,28,30)(H,29,31)/t14-,23+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300921
PNG
(6-((6S,8R)-7-(2,2-difluoro-3-methoxypropyl)-8-meth...)
Show SMILES COCC(F)(F)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(NC2CN(CCCF)C2)cn1
Show InChI InChI=1S/C26H33F3N6O/c1-17-10-21-20(5-7-23-22(21)12-31-33-23)25(35(17)15-26(28,29)16-36-2)24-6-4-18(11-30-24)32-19-13-34(14-19)9-3-8-27/h4-7,11-12,17,19,25,32H,3,8-10,13-16H2,1-2H3,(H,31,33)/t17-,25+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300985
PNG
(6-((6S,8S)-7- (2,2- difluoroethyl)- 8- (difluorome...)
Show SMILES FCCCN1CC(C1)Nc1ccc(nc1)[C@H]1N(CC(F)F)[C@@H](Cc2c1ccc1[nH]ncc21)C(F)F
Show InChI InChI=1S/C24H27F5N6/c25-6-1-7-34-11-15(12-34)32-14-2-4-20(30-9-14)23-16-3-5-19-18(10-31-33-19)17(16)8-21(24(28)29)35(23)13-22(26)27/h2-5,9-10,15,21-24,32H,1,6-8,11-13H2,(H,31,33)/t21-,23-/m0/s1
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n/an/a 2.80n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM301006
PNG
((S)-6-(8,8- dimethyl-7- (2,2,2- trifluoroethyl)- 6...)
Show SMILES CC1(C)Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)cn1
Show InChI InChI=1S/C25H30F4N6/c1-24(2)10-19-18(5-7-21-20(19)12-31-33-21)23(35(24)15-25(27,28)29)22-6-4-16(11-30-22)32-17-13-34(14-17)9-3-8-26/h4-7,11-12,17,23,32H,3,8-10,13-15H2,1-2H3,(H,31,33)/t23-/m0/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300921
PNG
(6-((6S,8R)-7-(2,2-difluoro-3-methoxypropyl)-8-meth...)
Show SMILES COCC(F)(F)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(NC2CN(CCCF)C2)cn1
Show InChI InChI=1S/C26H33F3N6O/c1-17-10-21-20(5-7-23-22(21)12-31-33-23)25(35(17)15-26(28,29)16-36-2)24-6-4-18(11-30-24)32-19-13-34(14-19)9-3-8-27/h4-7,11-12,17,19,25,32H,3,8-10,13-16H2,1-2H3,(H,31,33)/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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM301007
PNG
((S)-6-(7-(2,2- difluoroethyl)- 8,8-dimethyl- 6,7,8...)
Show SMILES CC1(C)Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)F)c1ccc(NC2CN(CCCF)C2)cn1
Show InChI InChI=1S/C25H31F3N6/c1-25(2)10-19-18(5-7-21-20(19)12-30-32-21)24(34(25)15-23(27)28)22-6-4-16(11-29-22)31-17-13-33(14-17)9-3-8-26/h4-7,11-12,17,23-24,31H,3,8-10,13-15H2,1-2H3,(H,30,32)/t24-/m0/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300944
PNG
(US10131663, Example 13)
Show SMILES COC[C@@](C)(F)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(OC2CN(CCCF)C2)cc1OC
Show InChI InChI=1S/C29H38F2N4O3/c1-19-12-24-22(8-9-26-25(24)14-32-33-26)28(35(19)17-29(2,31)18-36-3)23-7-6-20(13-27(23)37-4)38-21-15-34(16-21)11-5-10-30/h6-9,13-14,19,21,28H,5,10-12,15-18H2,1-4H3,(H,32,33)/t19-,28+,29+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300980
PNG
(6-((6S,8R)-7- (2,2- difluoroethyl)- 8-methyl- 6,7,...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)F)c1ncc(NC2CN(CCCF)C2)cc1F
Show InChI InChI=1S/C24H28F4N6/c1-14-7-18-17(3-4-21-19(18)10-30-32-21)24(34(14)13-22(27)28)23-20(26)8-15(9-29-23)31-16-11-33(12-16)6-2-5-25/h3-4,8-10,14,16,22,24,31H,2,5-7,11-13H2,1H3,(H,30,32)/t14-,24+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300919
PNG
(N-(4-((6S,8R)-7-(2,2-difluoro-3-methoxypropyl)-8-m...)
Show SMILES COCC(F)(F)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(NC2CN(CCCF)C2)cc1OC
Show InChI InChI=1S/C28H36F3N5O2/c1-18-11-23-21(7-8-25-24(23)13-32-34-25)27(36(18)16-28(30,31)17-37-2)22-6-5-19(12-26(22)38-3)33-20-14-35(15-20)10-4-9-29/h5-8,12-13,18,20,27,33H,4,9-11,14-17H2,1-3H3,(H,32,34)/t18-,27+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300976
PNG
(N-(1-(3- fluoropropyl) azetidin-3-yl)-5- ((6S,8R)-...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1cnc(NC2CN(CCCF)C2)cn1
Show InChI InChI=1S/C23H27F4N7/c1-14-7-17-16(3-4-19-18(17)8-30-32-19)22(34(14)13-23(25,26)27)20-9-29-21(10-28-20)31-15-11-33(12-15)6-2-5-24/h3-4,8-10,14-15,22H,2,5-7,11-13H2,1H3,(H,29,31)(H,30,32)/t14-,22+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300977
PNG
(6-((6S,8R)-7- (2,2- difluoroethyl)- 8-methyl- 6,7,...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)F)c1ccc(cn1)N(C)C1CN(CCCF)C1
Show InChI InChI=1S/C25H31F3N6/c1-16-10-20-19(5-7-22-21(20)12-30-31-22)25(34(16)15-24(27)28)23-6-4-17(11-29-23)32(2)18-13-33(14-18)9-3-8-26/h4-7,11-12,16,18,24-25H,3,8-10,13-15H2,1-2H3,(H,30,31)/t16-,25+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300959
PNG
(Preparation of 6-((6S,8R)-7-(2,2-difluoroethyl)-8-...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)F)c1ccc(NC2CN(CCCF)C2)cn1
Show InChI InChI=1S/C24H29F3N6/c1-15-9-19-18(4-6-21-20(19)11-29-31-21)24(33(15)14-23(26)27)22-5-3-16(10-28-22)30-17-12-32(13-17)8-2-7-25/h3-6,10-11,15,17,23-24,30H,2,7-9,12-14H2,1H3,(H,29,31)/t15-,24+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300971
PNG
(N-(1-(3- fluoropropyl) azetidin-3-yl)-5- methoxy-6...)
Show SMILES COc1cc(NC2CN(CCCF)C2)cnc1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1S/C25H30F4N6O/c1-15-8-19-18(4-5-21-20(19)11-31-33-21)24(35(15)14-25(27,28)29)23-22(36-2)9-16(10-30-23)32-17-12-34(13-17)7-3-6-26/h4-5,9-11,15,17,24,32H,3,6-8,12-14H2,1-2H3,(H,31,33)/t15-,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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM301004
PNG
(6-((6S,8R)-7- (2,2- difluoropropyl)- 8-methyl- 6,7...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(C)(F)F)c1ccc(NC2CN(CCCF)C2)cn1
Show InChI InChI=1S/C25H31F3N6/c1-16-10-20-19(5-7-22-21(20)12-30-32-22)24(34(16)15-25(2,27)28)23-6-4-17(11-29-23)31-18-13-33(14-18)9-3-8-26/h4-7,11-12,16,18,24,31H,3,8-10,13-15H2,1-2H3,(H,30,32)/t16-,24+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300994
PNG
(2,2-difluoro-3- ((6S,8R)-6-(4- ((1-(3- fluoropropy...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC(F)(F)CO)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1S/C27H34F3N5O2/c1-17-10-22-20(6-7-24-23(22)12-31-33-24)26(35(17)15-27(29,30)16-36)21-5-4-18(11-25(21)37-2)32-19-13-34(14-19)9-3-8-28/h4-7,11-12,17,19,26,32,36H,3,8-10,13-16H2,1-2H3,(H,31,33)/t17-,26+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300991
PNG
(6-((6S,8R)-7- ((1- fluorocyclo- propyl)methyl)-8- ...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC1(F)CC1)c1ccc(cn1)N(C)C1CN(CCCF)C1
Show InChI InChI=1S/C27H34F2N6/c1-18-12-22-21(5-7-24-23(22)14-31-32-24)26(35(18)17-27(29)8-9-27)25-6-4-19(13-30-25)33(2)20-15-34(16-20)11-3-10-28/h4-7,13-14,18,20,26H,3,8-12,15-17H2,1-2H3,(H,31,32)/t18-,26+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM301001
PNG
(1-(3- fluoropropyl)- N-(4-((6S,8R)- 7-(2- fluoropr...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC(C)F)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1S/C27H35F2N5O/c1-17(29)14-34-18(2)11-23-21(7-8-25-24(23)13-30-32-25)27(34)22-6-5-19(12-26(22)35-3)31-20-15-33(16-20)10-4-9-28/h5-8,12-13,17-18,20,27,31H,4,9-11,14-16H2,1-3H3,(H,30,32)/t17?,18-,27+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300999
PNG
(6-((6S,8R)-7- (2- fluoropropyl)- 8-methyl- 6,7,8,9...)
Show SMILES CC(F)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(NC2CN(CCCF)C2)cn1
Show InChI InChI=1S/C25H32F2N6/c1-16(27)13-33-17(2)10-21-20(5-7-23-22(21)12-29-31-23)25(33)24-6-4-18(11-28-24)30-19-14-32(15-19)9-3-8-26/h4-7,11-12,16-17,19,25,30H,3,8-10,13-15H2,1-2H3,(H,29,31)/t16?,17-,25+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300987
PNG
(N-(2-fluoro-4- ((6S,8R)-7-((1- fluorocyclo- propyl...)
Show SMILES COc1cc(NC2CN(CCCF)C2)c(F)cc1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1S/C28H34F3N5O/c1-17-10-20-19(4-5-24-22(20)13-32-34-24)27(36(17)16-28(31)6-7-28)21-11-23(30)25(12-26(21)37-2)33-18-14-35(15-18)9-3-8-29/h4-5,11-13,17-18,27,33H,3,6-10,14-16H2,1-2H3,(H,32,34)/t17-,27+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300956
PNG
(Preparation of (6S,8R)-7-(2,2-difluoroethyl)-6-(4-...)
Show SMILES COc1cc(OC2CN(CCCF)C2)ccc1[C@H]1N(CC(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1S/C26H31F3N4O2/c1-16-10-21-19(6-7-23-22(21)12-30-31-23)26(33(16)15-25(28)29)20-5-4-17(11-24(20)34-2)35-18-13-32(14-18)9-3-8-27/h4-7,11-12,16,18,25-26H,3,8-10,13-15H2,1-2H3,(H,30,31)/t16-,26+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300962
PNG
(Preparation of 1-(3-fluoropropyl)-N-(3-methoxy-4-(...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1S/C26H31F4N5O/c1-16-10-21-19(6-7-23-22(21)12-31-33-23)25(35(16)15-26(28,29)30)20-5-4-17(11-24(20)36-2)32-18-13-34(14-18)9-3-8-27/h4-7,11-12,16,18,25,32H,3,8-10,13-15H2,1-2H3,(H,31,33)/t16-,25+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300998
PNG
(N-(4-((6S,8R)- 7-(2-fluoro-2- methylpropyl)- 8-met...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC(C)(C)F)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1S/C28H37F2N5O/c1-18-12-23-21(8-9-25-24(23)14-31-33-25)27(35(18)17-28(2,3)30)22-7-6-19(13-26(22)36-4)32-20-15-34(16-20)11-5-10-29/h6-9,13-14,18,20,27,32H,5,10-12,15-17H2,1-4H3,(H,31,33)/t18-,27+/m1/s1
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n/an/a 6.10n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300999
PNG
(6-((6S,8R)-7- (2- fluoropropyl)- 8-methyl- 6,7,8,9...)
Show SMILES CC(F)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(NC2CN(CCCF)C2)cn1
Show InChI InChI=1S/C25H32F2N6/c1-16(27)13-33-17(2)10-21-20(5-7-23-22(21)12-29-31-23)25(33)24-6-4-18(11-28-24)30-19-14-32(15-19)9-3-8-26/h4-7,11-12,16-17,19,25,30H,3,8-10,13-15H2,1-2H3,(H,29,31)/t16?,17-,25+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300924
PNG
(6-((6S,8R)-7-((1-fluorocyclopropyl)methyl)-8-methy...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC1(F)CC1)c1ccc(NC2CN(CCCF)C2)cn1
Show InChI InChI=1S/C26H32F2N6/c1-17-11-21-20(4-6-23-22(21)13-30-32-23)25(34(17)16-26(28)7-8-26)24-5-3-18(12-29-24)31-19-14-33(15-19)10-2-9-27/h3-6,12-13,17,19,25,31H,2,7-11,14-16H2,1H3,(H,30,32)/t17-,25+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300945
PNG
(N-(4-((6S,8R)-7-(2-fluoro-3-methoxy-2-methylpropyl...)
Show SMILES COC[C@](C)(F)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(NC2CN(CCCF)C2)cc1OC
Show InChI InChI=1S/C29H39F2N5O2/c1-19-12-24-22(8-9-26-25(24)14-32-34-26)28(36(19)17-29(2,31)18-37-3)23-7-6-20(13-27(23)38-4)33-21-15-35(16-21)11-5-10-30/h6-9,13-14,19,21,28,33H,5,10-12,15-18H2,1-4H3,(H,32,34)/t19-,28+,29-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300960
PNG
(Preparation of (6S,8R)-7-(2,2-difluoroethyl)-6-(5-...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)F)c1ccc(OC2CN(CCCF)C2)cn1
Show InChI InChI=1S/C24H28F3N5O/c1-15-9-19-18(4-6-21-20(19)11-29-30-21)24(32(15)14-23(26)27)22-5-3-16(10-28-22)33-17-12-31(13-17)8-2-7-25/h3-6,10-11,15,17,23-24H,2,7-9,12-14H2,1H3,(H,29,30)/t15-,24+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300950
PNG
(Preparation of 2,2-difluoro-3-((6S,8R)-6-(5-((1-(3...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)CO)c1ccc(NC2CN(CCCF)C2)cn1
Show InChI InChI=1S/C25H31F3N6O/c1-16-9-20-19(4-6-22-21(20)11-30-32-22)24(34(16)14-25(27,28)15-35)23-5-3-17(10-29-23)31-18-12-33(13-18)8-2-7-26/h3-6,10-11,16,18,24,31,35H,2,7-9,12-15H2,1H3,(H,30,32)/t16-,24+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300925
PNG
(N-(4-((6S,8R)-7-(2-fluoro-3-methoxy-2-methylpropyl...)
Show SMILES COCC(C)(F)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(NC2CN(CCCF)C2)cc1OC
Show InChI InChI=1S/C29H39F2N5O2/c1-19-12-24-22(8-9-26-25(24)14-32-34-26)28(36(19)17-29(2,31)18-37-3)23-7-6-20(13-27(23)38-4)33-21-15-35(16-21)11-5-10-30/h6-9,13-14,19,21,28,33H,5,10-12,15-18H2,1-4H3,(H,32,34)/t19-,28+,29?/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300971
PNG
(N-(1-(3- fluoropropyl) azetidin-3-yl)-5- methoxy-6...)
Show SMILES COc1cc(NC2CN(CCCF)C2)cnc1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1S/C25H30F4N6O/c1-15-8-19-18(4-5-21-20(19)11-31-33-21)24(35(15)14-25(27,28)29)23-22(36-2)9-16(10-30-23)32-17-12-34(13-17)7-3-6-26/h4-5,9-11,15,17,24,32H,3,6-8,12-14H2,1-2H3,(H,31,33)/t15-,24+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300993
PNG
(2,2-difluoro-3- ((6S,8R)-6-(3- fluoro-5-((1- (3- f...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)CO)c1ncc(OC2CN(CCCF)C2)cc1F
Show InChI InChI=1S/C25H29F4N5O2/c1-15-7-19-18(3-4-22-20(19)10-31-32-22)24(34(15)13-25(28,29)14-35)23-21(27)8-16(9-30-23)36-17-11-33(12-17)6-2-5-26/h3-4,8-10,15,17,24,35H,2,5-7,11-14H2,1H3,(H,31,32)/t15-,24+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300936
PNG
(N-(4-((6S,8R)-7-((3-(fluoromethyl)oxetan-3-yl)meth...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC2(CF)COC2)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1S/C29H37F2N5O2/c1-19-10-24-22(6-7-26-25(24)12-32-34-26)28(36(19)16-29(15-31)17-38-18-29)23-5-4-20(11-27(23)37-2)33-21-13-35(14-21)9-3-8-30/h4-7,11-12,19,21,28,33H,3,8-10,13-18H2,1-2H3,(H,32,34)/t19-,28+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300990
PNG
(N-(4-((6S,8R)- 7-((1- fluorocyclo- propyl)methyl)-...)
Show SMILES COc1cc(NC2CN(CCC(F)(F)F)C2)ccc1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1S/C28H33F4N5O/c1-17-11-22-20(5-6-24-23(22)13-33-35-24)26(37(17)16-27(29)7-8-27)21-4-3-18(12-25(21)38-2)34-19-14-36(15-19)10-9-28(30,31)32/h3-6,12-13,17,19,26,34H,7-11,14-16H2,1-2H3,(H,33,35)/t17-,26+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300989
PNG
(5-((6S,8R)-7- ((1- fluorocyclo- propyl)methyl)-8- ...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC1(F)CC1)c1cnc(NC2CN(CCCF)C2)cn1
Show InChI InChI=1S/C25H31F2N7/c1-16-9-19-18(3-4-21-20(19)10-30-32-21)24(34(16)15-25(27)5-6-25)22-11-29-23(12-28-22)31-17-13-33(14-17)8-2-7-26/h3-4,10-12,16-17,24H,2,5-9,13-15H2,1H3,(H,29,31)(H,30,32)/t16-,24+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300931
PNG
((6S,8R)-7-((1-fluorocyclopropyl)methyl)-6-(4-((1-(...)
Show SMILES COc1cc(OC2CN(CCCF)C2)ccc1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1S/C28H34F2N4O2/c1-18-12-23-21(6-7-25-24(23)14-31-32-25)27(34(18)17-28(30)8-9-28)22-5-4-19(13-26(22)35-2)36-20-15-33(16-20)11-3-10-29/h4-7,13-14,18,20,27H,3,8-12,15-17H2,1-2H3,(H,31,32)/t18-,27+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300930
PNG
(N-(4-((6S,8R)-7-((1-fluorocyclopropyl)methyl)-8-me...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1S/C28H35F2N5O/c1-18-12-23-21(6-7-25-24(23)14-31-33-25)27(35(18)17-28(30)8-9-28)22-5-4-19(13-26(22)36-2)32-20-15-34(16-20)11-3-10-29/h4-7,13-14,18,20,27,32H,3,8-12,15-17H2,1-2H3,(H,31,33)/t18-,27+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM301003
PNG
(N-(1-(3- fluoropropyl) azetidin-3-yl)-6- ((6S,8R)...)
Show SMILES CC(C)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(NC2CN(CCCF)C2)cn1
Show InChI InChI=1S/C26H35FN6/c1-17(2)14-33-18(3)11-22-21(6-8-24-23(22)13-29-31-24)26(33)25-7-5-19(12-28-25)30-20-15-32(16-20)10-4-9-27/h5-8,12-13,17-18,20,26,30H,4,9-11,14-16H2,1-3H3,(H,29,31)/t18-,26+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300947
PNG
(US10131663, Example 15)
Show SMILES COC[C@@](C)(F)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(NC2CN(CCCF)C2)cc1OC
Show InChI InChI=1S/C29H39F2N5O2/c1-19-12-24-22(8-9-26-25(24)14-32-34-26)28(36(19)17-29(2,31)18-37-3)23-7-6-20(13-27(23)38-4)33-21-15-35(16-21)11-5-10-30/h6-9,13-14,19,21,28,33H,5,10-12,15-18H2,1-4H3,(H,32,34)/t19-,28+,29+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300978
PNG
(6-((6S,8R)-7- (2,2- difluoroethyl)- 6,8-dimethyl- ...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@](C)(N1CC(F)F)c1ccc(NC2CN(CCCF)C2)cn1
Show InChI InChI=1S/C25H31F3N6/c1-16-10-19-20-12-30-32-22(20)6-5-21(19)25(2,34(16)15-24(27)28)23-7-4-17(11-29-23)31-18-13-33(14-18)9-3-8-26/h4-7,11-12,16,18,24,31H,3,8-10,13-15H2,1-2H3,(H,30,32)/t16-,25+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300958
PNG
(US10131663, Example 24)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1C[C@@](C)(F)CO)c1c(F)cc(NC2CN(CCCF)C2)cc1F
Show InChI InChI=1S/C27H33F4N5O/c1-16-8-20-19(4-5-24-21(20)11-32-34-24)26(36(16)14-27(2,31)15-37)25-22(29)9-17(10-23(25)30)33-18-12-35(13-18)7-3-6-28/h4-5,9-11,16,18,26,33,37H,3,6-8,12-15H2,1-2H3,(H,32,34)/t16-,26+,27-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300986
PNG
(N-(4-((6S,8R)- 7-((1- fluorocyclo- propyl)methyl)-...)
Show SMILES COc1cc(ccc1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1ccc1[nH]ncc21)N(C)C1CN(CCCF)C1
Show InChI InChI=1S/C29H37F2N5O/c1-19-13-24-22(7-8-26-25(24)15-32-33-26)28(36(19)18-29(31)9-10-29)23-6-5-20(14-27(23)37-3)34(2)21-16-35(17-21)12-4-11-30/h5-8,14-15,19,21,28H,4,9-13,16-18H2,1-3H3,(H,32,33)/t19-,28+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300965
PNG
(2,2-Difluoro-3-((6S,8R)-6-(3-fluoro-5-((1-(3-fluor...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)CO)c1ncc(NC2CN(CCCF)C2)cc1F
Show InChI InChI=1S/C25H30F4N6O/c1-15-7-19-18(3-4-22-20(19)10-31-33-22)24(35(15)13-25(28,29)14-36)23-21(27)8-16(9-30-23)32-17-11-34(12-17)6-2-5-26/h3-4,8-10,15,17,24,32,36H,2,5-7,11-14H2,1H3,(H,31,33)/t15-,24+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300957
PNG
(3-((6S,8R)-6-(2,6-difluoro-4-(1-(3-fluoropropyl)az...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1C[C@](C)(F)CO)c1c(F)cc(NC2CN(CCCF)C2)cc1F
Show InChI InChI=1S/C27H33F4N5O/c1-16-8-20-19(4-5-24-21(20)11-32-34-24)26(36(16)14-27(2,31)15-37)25-22(29)9-17(10-23(25)30)33-18-12-35(13-18)7-3-6-28/h4-5,9-11,16,18,26,33,37H,3,6-8,12-15H2,1-2H3,(H,32,34)/t16-,26+,27+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300954
PNG
(Preparation of N-(3-ethoxy-4-((6S,8R)-7-((1-fluoro...)
Show SMILES CCOc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1S/C29H37F2N5O/c1-3-37-27-14-20(33-21-16-35(17-21)12-4-11-30)5-6-23(27)28-22-7-8-26-25(15-32-34-26)24(22)13-19(2)36(28)18-29(31)9-10-29/h5-8,14-15,19,21,28,33H,3-4,9-13,16-18H2,1-2H3,(H,32,34)/t19-,28+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM301001
PNG
(1-(3- fluoropropyl)- N-(4-((6S,8R)- 7-(2- fluoropr...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC(C)F)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1S/C27H35F2N5O/c1-17(29)14-34-18(2)11-23-21(7-8-25-24(23)13-30-32-25)27(34)22-6-5-19(12-26(22)35-3)31-20-15-33(16-20)10-4-9-28/h5-8,12-13,17-18,20,27,31H,4,9-11,14-16H2,1-3H3,(H,30,32)/t17?,18-,27+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300942
PNG
(N-(3,5-difluoro-4-((6S,8R)-7-((1-fluorocyclopropyl...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC1(F)CC1)c1c(F)cc(NC2CN(CCCF)C2)cc1F
Show InChI InChI=1S/C27H31F4N5/c1-16-9-20-19(3-4-24-21(20)12-32-34-24)26(36(16)15-27(31)5-6-27)25-22(29)10-17(11-23(25)30)33-18-13-35(14-18)8-2-7-28/h3-4,10-12,16,18,26,33H,2,5-9,13-15H2,1H3,(H,32,34)/t16-,26+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300952
PNG
(5-fluoro-6-((6S,8R)-7-((1-fluorocyclopropyl)methyl...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC1(F)CC1)c1ncc(NC2CN(CCCF)C2)cc1F
Show InChI InChI=1S/C26H31F3N6/c1-16-9-20-19(3-4-23-21(20)12-31-33-23)25(35(16)15-26(29)5-6-26)24-22(28)10-17(11-30-24)32-18-13-34(14-18)8-2-7-27/h3-4,10-12,16,18,25,32H,2,5-9,13-15H2,1H3,(H,31,33)/t16-,25+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300997
PNG
(6-((6S,8R)-7- (2-fluoro-2- methylpropyl)- 8-methyl...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(C)(C)F)c1ccc(NC2CN(CCCF)C2)cn1
Show InChI InChI=1S/C26H34F2N6/c1-17-11-21-20(6-8-23-22(21)13-30-32-23)25(34(17)16-26(2,3)28)24-7-5-18(12-29-24)31-19-14-33(15-19)10-4-9-27/h5-8,12-13,17,19,25,31H,4,9-11,14-16H2,1-3H3,(H,30,32)/t17-,25+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300988
PNG
(5-((6S,8R)-7- ((1- fluorocyclo- propyl)methyl)-8- ...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC1(F)CC1)c1ccc(NC2CN(CCCF)C2)nc1
Show InChI InChI=1S/C26H32F2N6/c1-17-11-21-20(4-5-23-22(21)13-30-32-23)25(34(17)16-26(28)7-8-26)18-3-6-24(29-12-18)31-19-14-33(15-19)10-2-9-27/h3-6,12-13,17,19,25H,2,7-11,14-16H2,1H3,(H,29,31)(H,30,32)/t17-,25-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300934
PNG
(5-((6S,8R)-7-((1-fluorocyclopropyl)methyl)-8-methy...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ncc1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1S/C27H34F2N6O/c1-17-10-20-19(4-5-23-21(20)13-31-33-23)26(35(17)16-27(29)6-7-27)22-12-30-25(11-24(22)36-2)32-18-14-34(15-18)9-3-8-28/h4-5,11-13,17-18,26H,3,6-10,14-16H2,1-2H3,(H,30,32)(H,31,33)/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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300988
PNG
(5-((6S,8R)-7- ((1- fluorocyclo- propyl)methyl)-8- ...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC1(F)CC1)c1ccc(NC2CN(CCCF)C2)nc1
Show InChI InChI=1S/C26H32F2N6/c1-17-11-21-20(4-5-23-22(21)13-30-32-23)25(34(17)16-26(28)7-8-26)18-3-6-24(29-12-18)31-19-14-33(15-19)10-2-9-27/h3-6,12-13,17,19,25H,2,7-11,14-16H2,1H3,(H,29,31)(H,30,32)/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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300945
PNG
(N-(4-((6S,8R)-7-(2-fluoro-3-methoxy-2-methylpropyl...)
Show SMILES COC[C@](C)(F)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(NC2CN(CCCF)C2)cc1OC
Show InChI InChI=1S/C29H39F2N5O2/c1-19-12-24-22(8-9-26-25(24)14-32-34-26)28(36(19)17-29(2,31)18-37-3)23-7-6-20(13-27(23)38-4)33-21-15-35(16-21)11-5-10-30/h6-9,13-14,19,21,28,33H,5,10-12,15-18H2,1-4H3,(H,32,34)/t19-,28+,29-/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 US10131663 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300934
PNG
(5-((6S,8R)-7-((1-fluorocyclopropyl)methyl)-8-methy...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ncc1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1S/C27H34F2N6O/c1-17-10-20-19(4-5-23-21(20)13-31-33-23)26(35(17)16-27(29)6-7-27)22-12-30-25(11-24(22)36-2)32-18-14-34(15-18)9-3-8-28/h4-5,11-13,17-18,26H,3,6-10,14-16H2,1-2H3,(H,30,32)(H,31,33)/t17-,26+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM300986
PNG
(N-(4-((6S,8R)- 7-((1- fluorocyclo- propyl)methyl)-...)
Show SMILES COc1cc(ccc1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1ccc1[nH]ncc21)N(C)C1CN(CCCF)C1
Show InChI InChI=1S/C29H37F2N5O/c1-19-13-24-22(7-8-26-25(24)15-32-33-26)28(36(19)18-29(31)9-10-29)23-6-5-20(14-27(23)37-3)34(2)21-16-35(17-21)12-4-11-30/h5-8,14-15,19,21,28H,4,9-13,16-18H2,1-3H3,(H,32,33)/t19-,28+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
hERG (human ether go go-related gene) potassium channels are essential for normal electrical activity in the heart. Arrhythmia can be induced by a bl...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM300979
PNG
(N-(4-((6S,8R)- 7-(2,2- difluoroethyl)- 6,8-dimethy...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ccc1[C@@]1(C)N(CC(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1S/C27H34F3N5O/c1-17-11-20-21-13-31-33-24(21)8-7-22(20)27(2,35(17)16-26(29)30)23-6-5-18(12-25(23)36-3)32-19-14-34(15-19)10-4-9-28/h5-8,12-13,17,19,26,32H,4,9-11,14-16H2,1-3H3,(H,31,33)/t17-,27+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
hERG (human ether go go-related gene) potassium channels are essential for normal electrical activity in the heart. Arrhythmia can be induced by a bl...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM300974
PNG
(6-fluoro-N-(1- (3- fluoropropyl) azetidin-3-yl)-5-...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)nc1F
Show InChI InChI=1S/C24H27F5N6/c1-14-9-18-16(3-5-20-19(18)10-30-33-20)22(35(14)13-24(27,28)29)17-4-6-21(32-23(17)26)31-15-11-34(12-15)8-2-7-25/h3-6,10,14-15,22H,2,7-9,11-13H2,1H3,(H,30,33)(H,31,32)/t14-,22+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
hERG (human ether go go-related gene) potassium channels are essential for normal electrical activity in the heart. Arrhythmia can be induced by a bl...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM300955
PNG
(Preparation of N-(4-((6S,8R)-7-(2,2-difluoroethyl)...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1S/C26H32F3N5O/c1-16-10-21-19(6-7-23-22(21)12-30-32-23)26(34(16)15-25(28)29)20-5-4-17(11-24(20)35-2)31-18-13-33(14-18)9-3-8-27/h4-7,11-12,16,18,25-26,31H,3,8-10,13-15H2,1-2H3,(H,30,32)/t16-,26+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
hERG (human ether go go-related gene) potassium channels are essential for normal electrical activity in the heart. Arrhythmia can be induced by a bl...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM300953
PNG
(Preparation of N-(4-((6S,8R)-7-(2,2-difluoropropyl...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC(C)(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1S/C27H34F3N5O/c1-17-11-22-20(7-8-24-23(22)13-31-33-24)26(35(17)16-27(2,29)30)21-6-5-18(12-25(21)36-3)32-19-14-34(15-19)10-4-9-28/h5-8,12-13,17,19,26,32H,4,9-11,14-16H2,1-3H3,(H,31,33)/t17-,26+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
hERG (human ether go go-related gene) potassium channels are essential for normal electrical activity in the heart. Arrhythmia can be induced by a bl...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM300975
PNG
(N-(2-fluoro-4- ((6R,8R)-8- methyl-7- (2,2,2- trifl...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)c(F)c1
Show InChI InChI=1S/C25H28F5N5/c1-15-9-19-18(4-6-22-20(19)11-31-33-22)24(35(15)14-25(28,29)30)16-3-5-23(21(27)10-16)32-17-12-34(13-17)8-2-7-26/h3-6,10-11,15,17,24,32H,2,7-9,12-14H2,1H3,(H,31,33)/t15-,24-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
hERG (human ether go go-related gene) potassium channels are essential for normal electrical activity in the heart. Arrhythmia can be induced by a bl...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM300968
PNG
(N-(1-(3- fluoropropyl) azetidin-3-yl)- N-methyl-6-...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(cn1)N(C)C1CN(CCCF)C1
Show InChI InChI=1S/C25H30F4N6/c1-16-10-20-19(5-7-22-21(20)12-31-32-22)24(35(16)15-25(27,28)29)23-6-4-17(11-30-23)33(2)18-13-34(14-18)9-3-8-26/h4-7,11-12,16,18,24H,3,8-10,13-15H2,1-2H3,(H,31,32)/t16-,24+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
hERG (human ether go go-related gene) potassium channels are essential for normal electrical activity in the heart. Arrhythmia can be induced by a bl...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM300962
PNG
(Preparation of 1-(3-fluoropropyl)-N-(3-methoxy-4-(...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1S/C26H31F4N5O/c1-16-10-21-19(6-7-23-22(21)12-31-33-23)25(35(16)15-26(28,29)30)20-5-4-17(11-24(20)36-2)32-18-13-34(14-18)9-3-8-27/h4-7,11-12,16,18,25,32H,3,8-10,13-15H2,1-2H3,(H,31,33)/t16-,25+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
hERG (human ether go go-related gene) potassium channels are essential for normal electrical activity in the heart. Arrhythmia can be induced by a bl...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM300961
PNG
(1-(3-Fluoropropyl)-N-(4-((6R,8R)-8-methyl-7-(2,2,2...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)cc1
Show InChI InChI=1S/C25H29F4N5/c1-16-11-21-20(7-8-23-22(21)12-30-32-23)24(34(16)15-25(27,28)29)17-3-5-18(6-4-17)31-19-13-33(14-19)10-2-9-26/h3-8,12,16,19,24,31H,2,9-11,13-15H2,1H3,(H,30,32)/t16-,24-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
hERG (human ether go go-related gene) potassium channels are essential for normal electrical activity in the heart. Arrhythmia can be induced by a bl...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM300976
PNG
(N-(1-(3- fluoropropyl) azetidin-3-yl)-5- ((6S,8R)-...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1cnc(NC2CN(CCCF)C2)cn1
Show InChI InChI=1S/C23H27F4N7/c1-14-7-17-16(3-4-19-18(17)8-30-32-19)22(34(14)13-23(25,26)27)20-9-29-21(10-28-20)31-15-11-33(12-15)6-2-5-24/h3-4,8-10,14-15,22H,2,5-7,11-13H2,1H3,(H,29,31)(H,30,32)/t14-,22+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
hERG (human ether go go-related gene) potassium channels are essential for normal electrical activity in the heart. Arrhythmia can be induced by a bl...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM300983
PNG
(N-(4-((6S,8R)- 7-(2,2- difluoroethyl)- 8-methyl- 6...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)F)c1c(F)cc(NC2CN(CCCF)C2)cc1F
Show InChI InChI=1S/C25H28F5N5/c1-14-7-18-17(3-4-22-19(18)10-31-33-22)25(35(14)13-23(29)30)24-20(27)8-15(9-21(24)28)32-16-11-34(12-16)6-2-5-26/h3-4,8-10,14,16,23,25,32H,2,5-7,11-13H2,1H3,(H,31,33)/t14-,25+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
hERG (human ether go go-related gene) potassium channels are essential for normal electrical activity in the heart. Arrhythmia can be induced by a bl...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM300985
PNG
(6-((6S,8S)-7- (2,2- difluoroethyl)- 8- (difluorome...)
Show SMILES FCCCN1CC(C1)Nc1ccc(nc1)[C@H]1N(CC(F)F)[C@@H](Cc2c1ccc1[nH]ncc21)C(F)F
Show InChI InChI=1S/C24H27F5N6/c25-6-1-7-34-11-15(12-34)32-14-2-4-20(30-9-14)23-16-3-5-19-18(10-31-33-19)17(16)8-21(24(28)29)35(23)13-22(26)27/h2-5,9-10,15,21-24,32H,1,6-8,11-13H2,(H,31,33)/t21-,23-/m0/s1
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AstraZeneca AB

US Patent


Assay Description
hERG (human ether go go-related gene) potassium channels are essential for normal electrical activity in the heart. Arrhythmia can be induced by a bl...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM300930
PNG
(N-(4-((6S,8R)-7-((1-fluorocyclopropyl)methyl)-8-me...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1S/C28H35F2N5O/c1-18-12-23-21(6-7-25-24(23)14-31-33-25)27(35(18)17-28(30)8-9-28)22-5-4-19(13-26(22)36-2)32-20-15-34(16-20)11-3-10-29/h4-7,13-14,18,20,27,32H,3,8-12,15-17H2,1-2H3,(H,31,33)/t18-,27+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
hERG (human ether go go-related gene) potassium channels are essential for normal electrical activity in the heart. Arrhythmia can be induced by a bl...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM300919
PNG
(N-(4-((6S,8R)-7-(2,2-difluoro-3-methoxypropyl)-8-m...)
Show SMILES COCC(F)(F)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(NC2CN(CCCF)C2)cc1OC
Show InChI InChI=1S/C28H36F3N5O2/c1-18-11-23-21(7-8-25-24(23)13-32-34-25)27(36(18)16-28(30,31)17-37-2)22-6-5-19(12-26(22)38-3)33-20-14-35(15-20)10-4-9-29/h5-8,12-13,18,20,27,33H,4,9-11,14-17H2,1-3H3,(H,32,34)/t18-,27+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
hERG (human ether go go-related gene) potassium channels are essential for normal electrical activity in the heart. Arrhythmia can be induced by a bl...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM300994
PNG
(2,2-difluoro-3- ((6S,8R)-6-(4- ((1-(3- fluoropropy...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC(F)(F)CO)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1S/C27H34F3N5O2/c1-17-10-22-20(6-7-24-23(22)12-31-33-24)26(35(17)15-27(29,30)16-36)21-5-4-18(11-25(21)37-2)32-19-13-34(14-19)9-3-8-28/h4-7,11-12,17,19,26,32,36H,3,8-10,13-16H2,1-2H3,(H,31,33)/t17-,26+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
hERG (human ether go go-related gene) potassium channels are essential for normal electrical activity in the heart. Arrhythmia can be induced by a bl...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM301007
PNG
((S)-6-(7-(2,2- difluoroethyl)- 8,8-dimethyl- 6,7,8...)
Show SMILES CC1(C)Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)F)c1ccc(NC2CN(CCCF)C2)cn1
Show InChI InChI=1S/C25H31F3N6/c1-25(2)10-19-18(5-7-21-20(19)12-30-32-21)24(34(25)15-23(27)28)22-6-4-16(11-29-22)31-17-13-33(14-17)9-3-8-26/h4-7,11-12,17,23-24,31H,3,8-10,13-15H2,1-2H3,(H,30,32)/t24-/m0/s1
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AstraZeneca AB

US Patent


Assay Description
hERG (human ether go go-related gene) potassium channels are essential for normal electrical activity in the heart. Arrhythmia can be induced by a bl...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM300997
PNG
(6-((6S,8R)-7- (2-fluoro-2- methylpropyl)- 8-methyl...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(C)(C)F)c1ccc(NC2CN(CCCF)C2)cn1
Show InChI InChI=1S/C26H34F2N6/c1-17-11-21-20(6-8-23-22(21)13-30-32-23)25(34(17)16-26(2,3)28)24-7-5-18(12-29-24)31-19-14-33(15-19)10-4-9-27/h5-8,12-13,17,19,25,31H,4,9-11,14-16H2,1-3H3,(H,30,32)/t17-,25+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
hERG (human ether go go-related gene) potassium channels are essential for normal electrical activity in the heart. Arrhythmia can be induced by a bl...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM300929
PNG
(3-((6S,8R)-6-(2,6-difluoro-4-((1-(3-fluoropropyl)a...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)CO)c1c(F)cc(NC2CN(CCCF)C2)cc1F
Show InChI InChI=1S/C26H30F5N5O/c1-15-7-19-18(3-4-23-20(19)10-32-34-23)25(36(15)13-26(30,31)14-37)24-21(28)8-16(9-22(24)29)33-17-11-35(12-17)6-2-5-27/h3-4,8-10,15,17,25,33,37H,2,5-7,11-14H2,1H3,(H,32,34)/t15-,25+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
hERG (human ether go go-related gene) potassium channels are essential for normal electrical activity in the heart. Arrhythmia can be induced by a bl...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM300984
PNG
(5-((6S,8R)-7- (2,2- difluoroethyl)- 8-methyl- 6,7,...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)F)c1cnc(NC2CN(CCCF)C2)cn1
Show InChI InChI=1S/C23H28F3N7/c1-14-7-17-16(3-4-19-18(17)8-29-31-19)23(33(14)13-21(25)26)20-9-28-22(10-27-20)30-15-11-32(12-15)6-2-5-24/h3-4,8-10,14-15,21,23H,2,5-7,11-13H2,1H3,(H,28,30)(H,29,31)/t14-,23+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
hERG (human ether go go-related gene) potassium channels are essential for normal electrical activity in the heart. Arrhythmia can be induced by a bl...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM300998
PNG
(N-(4-((6S,8R)- 7-(2-fluoro-2- methylpropyl)- 8-met...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC(C)(C)F)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1S/C28H37F2N5O/c1-18-12-23-21(8-9-25-24(23)14-31-33-25)27(35(18)17-28(2,3)30)22-7-6-19(13-26(22)36-4)32-20-15-34(16-20)11-5-10-29/h6-9,13-14,18,20,27,32H,5,10-12,15-17H2,1-4H3,(H,31,33)/t18-,27+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
hERG (human ether go go-related gene) potassium channels are essential for normal electrical activity in the heart. Arrhythmia can be induced by a bl...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM300973
PNG
(2-fluoro-6- ((6S,8R)-1- fluoro-8- methyl-7- (2,2,2...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]nc(F)c23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)c(F)n1
Show InChI InChI=1S/C24H26F6N6/c1-13-9-16-15(3-4-17-20(16)23(27)34-33-17)21(36(13)12-24(28,29)30)18-5-6-19(22(26)32-18)31-14-10-35(11-14)8-2-7-25/h3-6,13-14,21,31H,2,7-12H2,1H3,(H,33,34)/t13-,21+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
hERG (human ether go go-related gene) potassium channels are essential for normal electrical activity in the heart. Arrhythmia can be induced by a bl...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM300967
PNG
(5-Fluoro-6-((6S,8R)-1-fluoro-8-methyl-7-(2,2,2-tri...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]nc(F)c23)[C@H](N1CC(F)(F)F)c1ncc(NC2CN(CCCF)C2)cc1F
Show InChI InChI=1S/C24H26F6N6/c1-13-7-17-16(3-4-19-20(17)23(27)34-33-19)22(36(13)12-24(28,29)30)21-18(26)8-14(9-31-21)32-15-10-35(11-15)6-2-5-25/h3-4,8-9,13,15,22,32H,2,5-7,10-12H2,1H3,(H,33,34)/t13-,22+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
hERG (human ether go go-related gene) potassium channels are essential for normal electrical activity in the heart. Arrhythmia can be induced by a bl...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM300966
PNG
(6-((6S,8R)-1-fluoro-8-methyl-7-(2,2,2-trifluoroeth...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]nc(F)c23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)cn1
Show InChI InChI=1S/C24H27F5N6/c1-14-9-18-17(4-6-19-21(18)23(26)33-32-19)22(35(14)13-24(27,28)29)20-5-3-15(10-30-20)31-16-11-34(12-16)8-2-7-25/h3-6,10,14,16,22,31H,2,7-9,11-13H2,1H3,(H,32,33)/t14-,22+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
hERG (human ether go go-related gene) potassium channels are essential for normal electrical activity in the heart. Arrhythmia can be induced by a bl...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM301001
PNG
(1-(3- fluoropropyl)- N-(4-((6S,8R)- 7-(2- fluoropr...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC(C)F)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1S/C27H35F2N5O/c1-17(29)14-34-18(2)11-23-21(7-8-25-24(23)13-30-32-25)27(34)22-6-5-19(12-26(22)35-3)31-20-15-33(16-20)10-4-9-28/h5-8,12-13,17-18,20,27,31H,4,9-11,14-16H2,1-3H3,(H,30,32)/t17?,18-,27+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
hERG (human ether go go-related gene) potassium channels are essential for normal electrical activity in the heart. Arrhythmia can be induced by a bl...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM300991
PNG
(6-((6S,8R)-7- ((1- fluorocyclo- propyl)methyl)-8- ...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC1(F)CC1)c1ccc(cn1)N(C)C1CN(CCCF)C1
Show InChI InChI=1S/C27H34F2N6/c1-18-12-22-21(5-7-24-23(22)14-31-32-24)26(35(18)17-27(29)8-9-27)25-6-4-19(13-30-25)33(2)20-15-34(16-20)11-3-10-28/h4-7,13-14,18,20,26H,3,8-12,15-17H2,1-2H3,(H,31,32)/t18-,26+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
hERG (human ether go go-related gene) potassium channels are essential for normal electrical activity in the heart. Arrhythmia can be induced by a bl...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM300925
PNG
(N-(4-((6S,8R)-7-(2-fluoro-3-methoxy-2-methylpropyl...)
Show SMILES COCC(C)(F)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(NC2CN(CCCF)C2)cc1OC
Show InChI InChI=1S/C29H39F2N5O2/c1-19-12-24-22(8-9-26-25(24)14-32-34-26)28(36(19)17-29(2,31)18-37-3)23-7-6-20(13-27(23)38-4)33-21-15-35(16-21)11-5-10-30/h6-9,13-14,19,21,28,33H,5,10-12,15-18H2,1-4H3,(H,32,34)/t19-,28+,29?/m1/s1
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AstraZeneca AB

US Patent


Assay Description
hERG (human ether go go-related gene) potassium channels are essential for normal electrical activity in the heart. Arrhythmia can be induced by a bl...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM300972
PNG
(5-((6S,8R)-1- fluoro-8- methyl-7- (2,2,2- trifluor...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]nc(F)c23)[C@H](N1CC(F)(F)F)c1cnc(NC2CN(CCCF)C2)cn1
Show InChI InChI=1S/C23H26F5N7/c1-13-7-16-15(3-4-17-20(16)22(25)33-32-17)21(35(13)12-23(26,27)28)18-8-30-19(9-29-18)31-14-10-34(11-14)6-2-5-24/h3-4,8-9,13-14,21H,2,5-7,10-12H2,1H3,(H,30,31)(H,32,33)/t13-,21+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
hERG (human ether go go-related gene) potassium channels are essential for normal electrical activity in the heart. Arrhythmia can be induced by a bl...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM300971
PNG
(N-(1-(3- fluoropropyl) azetidin-3-yl)-5- methoxy-6...)
Show SMILES COc1cc(NC2CN(CCCF)C2)cnc1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1S/C25H30F4N6O/c1-15-8-19-18(4-5-21-20(19)11-31-33-21)24(35(15)14-25(27,28)29)23-22(36-2)9-16(10-30-23)32-17-12-34(13-17)7-3-6-26/h4-5,9-11,15,17,24,32H,3,6-8,12-14H2,1-2H3,(H,31,33)/t15-,24+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
hERG (human ether go go-related gene) potassium channels are essential for normal electrical activity in the heart. Arrhythmia can be induced by a bl...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM300951
PNG
(Preparation of N-[1-(3-fluoropropyl)azetidin-3-yl]...)
Show SMILES C[C@H](Cc1cccc(N)c1C)NC(=O)C(F)(F)F
Show InChI InChI=1S/C12H15F3N2O/c1-7(17-11(18)12(13,14)15)6-9-4-3-5-10(16)8(9)2/h3-5,7H,6,16H2,1-2H3,(H,17,18)/t7-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
hERG (human ether go go-related gene) potassium channels are essential for normal electrical activity in the heart. Arrhythmia can be induced by a bl...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM301004
PNG
(6-((6S,8R)-7- (2,2- difluoropropyl)- 8-methyl- 6,7...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(C)(F)F)c1ccc(NC2CN(CCCF)C2)cn1
Show InChI InChI=1S/C25H31F3N6/c1-16-10-20-19(5-7-22-21(20)12-30-32-22)24(34(16)15-25(2,27)28)23-6-4-17(11-29-23)31-18-13-33(14-18)9-3-8-26/h4-7,11-12,16,18,24,31H,3,8-10,13-15H2,1-2H3,(H,30,32)/t16-,24+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
hERG (human ether go go-related gene) potassium channels are essential for normal electrical activity in the heart. Arrhythmia can be induced by a bl...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM301003
PNG
(N-(1-(3- fluoropropyl) azetidin-3-yl)-6- ((6S,8R)...)
Show SMILES CC(C)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(NC2CN(CCCF)C2)cn1
Show InChI InChI=1S/C26H35FN6/c1-17(2)14-33-18(3)11-22-21(6-8-24-23(22)13-29-31-24)26(33)25-7-5-19(12-28-25)30-20-15-32(16-20)10-4-9-27/h5-8,12-13,17-18,20,26,30H,4,9-11,14-16H2,1-3H3,(H,29,31)/t18-,26+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
hERG (human ether go go-related gene) potassium channels are essential for normal electrical activity in the heart. Arrhythmia can be induced by a bl...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM300999
PNG
(6-((6S,8R)-7- (2- fluoropropyl)- 8-methyl- 6,7,8,9...)
Show SMILES CC(F)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(NC2CN(CCCF)C2)cn1
Show InChI InChI=1S/C25H32F2N6/c1-16(27)13-33-17(2)10-21-20(5-7-23-22(21)12-29-31-23)25(33)24-6-4-18(11-28-24)30-19-14-32(15-19)9-3-8-26/h4-7,11-12,16-17,19,25,30H,3,8-10,13-15H2,1-2H3,(H,29,31)/t16?,17-,25+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
hERG (human ether go go-related gene) potassium channels are essential for normal electrical activity in the heart. Arrhythmia can be induced by a bl...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM300963
PNG
(Preparation of 2-fluoro-N-(1-(3-fluoropropyl)azeti...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)c(F)n1
Show InChI InChI=1S/C24H27F5N6/c1-14-9-17-16(3-4-19-18(17)10-30-33-19)22(35(14)13-24(27,28)29)20-5-6-21(23(26)32-20)31-15-11-34(12-15)8-2-7-25/h3-6,10,14-15,22,31H,2,7-9,11-13H2,1H3,(H,30,33)/t14-,22+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
hERG (human ether go go-related gene) potassium channels are essential for normal electrical activity in the heart. Arrhythmia can be induced by a bl...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM300959
PNG
(Preparation of 6-((6S,8R)-7-(2,2-difluoroethyl)-8-...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)F)c1ccc(NC2CN(CCCF)C2)cn1
Show InChI InChI=1S/C24H29F3N6/c1-15-9-19-18(4-6-21-20(19)11-29-31-21)24(33(15)14-23(26)27)22-5-3-16(10-28-22)30-17-12-32(13-17)8-2-7-25/h3-6,10-11,15,17,23-24,30H,2,7-9,12-14H2,1H3,(H,29,31)/t15-,24+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
hERG (human ether go go-related gene) potassium channels are essential for normal electrical activity in the heart. Arrhythmia can be induced by a bl...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM300999
PNG
(6-((6S,8R)-7- (2- fluoropropyl)- 8-methyl- 6,7,8,9...)
Show SMILES CC(F)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(NC2CN(CCCF)C2)cn1
Show InChI InChI=1S/C25H32F2N6/c1-16(27)13-33-17(2)10-21-20(5-7-23-22(21)12-29-31-23)25(33)24-6-4-18(11-28-24)30-19-14-32(15-19)9-3-8-26/h4-7,11-12,16-17,19,25,30H,3,8-10,13-15H2,1-2H3,(H,29,31)/t16?,17-,25+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
hERG (human ether go go-related gene) potassium channels are essential for normal electrical activity in the heart. Arrhythmia can be induced by a bl...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM300964
PNG
(5-fluoro-N-(1-(3-fluoropropyl)azetidin-3-yl)-6-((6...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ncc(NC2CN(CCCF)C2)cc1F
Show InChI InChI=1S/C24H27F5N6/c1-14-7-18-17(3-4-21-19(18)10-31-33-21)23(35(14)13-24(27,28)29)22-20(26)8-15(9-30-22)32-16-11-34(12-16)6-2-5-25/h3-4,8-10,14,16,23,32H,2,5-7,11-13H2,1H3,(H,31,33)/t14-,23+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
hERG (human ether go go-related gene) potassium channels are essential for normal electrical activity in the heart. Arrhythmia can be induced by a bl...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM300924
PNG
(6-((6S,8R)-7-((1-fluorocyclopropyl)methyl)-8-methy...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC1(F)CC1)c1ccc(NC2CN(CCCF)C2)cn1
Show InChI InChI=1S/C26H32F2N6/c1-17-11-21-20(4-6-23-22(21)13-30-32-23)25(34(17)16-26(28)7-8-26)24-5-3-18(12-29-24)31-19-14-33(15-19)10-2-9-27/h3-6,12-13,17,19,25,31H,2,7-11,14-16H2,1H3,(H,30,32)/t17-,25+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
hERG (human ether go go-related gene) potassium channels are essential for normal electrical activity in the heart. Arrhythmia can be induced by a bl...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM300952
PNG
(5-fluoro-6-((6S,8R)-7-((1-fluorocyclopropyl)methyl...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC1(F)CC1)c1ncc(NC2CN(CCCF)C2)cc1F
Show InChI InChI=1S/C26H31F3N6/c1-16-9-20-19(3-4-23-21(20)12-31-33-23)25(35(16)15-26(29)5-6-26)24-22(28)10-17(11-30-24)32-18-13-34(14-18)8-2-7-27/h3-4,10-12,16,18,25,32H,2,5-9,13-15H2,1H3,(H,31,33)/t16-,25+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
hERG (human ether go go-related gene) potassium channels are essential for normal electrical activity in the heart. Arrhythmia can be induced by a bl...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM300965
PNG
(2,2-Difluoro-3-((6S,8R)-6-(3-fluoro-5-((1-(3-fluor...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)CO)c1ncc(NC2CN(CCCF)C2)cc1F
Show InChI InChI=1S/C25H30F4N6O/c1-15-7-19-18(3-4-22-20(19)10-31-33-22)24(35(15)13-25(28,29)14-36)23-21(27)8-16(9-30-23)32-17-11-34(12-17)6-2-5-26/h3-4,8-10,15,17,24,32,36H,2,5-7,11-14H2,1H3,(H,31,33)/t15-,24+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
hERG (human ether go go-related gene) potassium channels are essential for normal electrical activity in the heart. Arrhythmia can be induced by a bl...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM300989
PNG
(5-((6S,8R)-7- ((1- fluorocyclo- propyl)methyl)-8- ...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC1(F)CC1)c1cnc(NC2CN(CCCF)C2)cn1
Show InChI InChI=1S/C25H31F2N7/c1-16-9-19-18(3-4-21-20(19)10-30-32-21)24(34(16)15-25(27)5-6-25)22-11-29-23(12-28-22)31-17-13-33(14-17)8-2-7-26/h3-4,10-12,16-17,24H,2,5-9,13-15H2,1H3,(H,29,31)(H,30,32)/t16-,24+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
hERG (human ether go go-related gene) potassium channels are essential for normal electrical activity in the heart. Arrhythmia can be induced by a bl...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM301001
PNG
(1-(3- fluoropropyl)- N-(4-((6S,8R)- 7-(2- fluoropr...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC(C)F)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1S/C27H35F2N5O/c1-17(29)14-34-18(2)11-23-21(7-8-25-24(23)13-30-32-25)27(34)22-6-5-19(12-26(22)35-3)31-20-15-33(16-20)10-4-9-28/h5-8,12-13,17-18,20,27,31H,4,9-11,14-16H2,1-3H3,(H,30,32)/t17?,18-,27+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
hERG (human ether go go-related gene) potassium channels are essential for normal electrical activity in the heart. Arrhythmia can be induced by a bl...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM300992
PNG
(2,2-difluoro-3- ((6S,8R)-6-(5- ((1-(3- fluoropropy...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)CO)c1ccc(OC2CN(CCCF)C2)cn1
Show InChI InChI=1S/C25H30F3N5O2/c1-16-9-20-19(4-6-22-21(20)11-30-31-22)24(33(16)14-25(27,28)15-34)23-5-3-17(10-29-23)35-18-12-32(13-18)8-2-7-26/h3-6,10-11,16,18,24,34H,2,7-9,12-15H2,1H3,(H,30,31)/t16-,24+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
hERG (human ether go go-related gene) potassium channels are essential for normal electrical activity in the heart. Arrhythmia can be induced by a bl...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM300980
PNG
(6-((6S,8R)-7- (2,2- difluoroethyl)- 8-methyl- 6,7,...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)F)c1ncc(NC2CN(CCCF)C2)cc1F
Show InChI InChI=1S/C24H28F4N6/c1-14-7-18-17(3-4-21-19(18)10-30-32-21)24(34(14)13-22(27)28)23-20(26)8-15(9-29-23)31-16-11-33(12-16)6-2-5-25/h3-4,8-10,14,16,22,24,31H,2,5-7,11-13H2,1H3,(H,30,32)/t14-,24+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
hERG (human ether go go-related gene) potassium channels are essential for normal electrical activity in the heart. Arrhythmia can be induced by a bl...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM300921
PNG
(6-((6S,8R)-7-(2,2-difluoro-3-methoxypropyl)-8-meth...)
Show SMILES COCC(F)(F)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(NC2CN(CCCF)C2)cn1
Show InChI InChI=1S/C26H33F3N6O/c1-17-10-21-20(5-7-23-22(21)12-31-33-23)25(35(17)15-26(28,29)16-36-2)24-6-4-18(11-30-24)32-19-13-34(14-19)9-3-8-27/h4-7,11-12,17,19,25,32H,3,8-10,13-16H2,1-2H3,(H,31,33)/t17-,25+/m1/s1
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n/an/a>4.00E+4n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
hERG (human ether go go-related gene) potassium channels are essential for normal electrical activity in the heart. Arrhythmia can be induced by a bl...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM300995
PNG
(2,2-difluoro-3- ((6S,8R)-1- fluoro-6-(5- ((1-(3- f...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]nc(F)c23)[C@H](N1CC(F)(F)CO)c1ccc(NC2CN(CCCF)C2)cn1
Show InChI InChI=1S/C25H30F4N6O/c1-15-9-19-18(4-6-20-22(19)24(27)33-32-20)23(35(15)13-25(28,29)14-36)21-5-3-16(10-30-21)31-17-11-34(12-17)8-2-7-26/h3-6,10,15,17,23,31,36H,2,7-9,11-14H2,1H3,(H,32,33)/t15-,23+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
hERG (human ether go go-related gene) potassium channels are essential for normal electrical activity in the heart. Arrhythmia can be induced by a bl...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM300993
PNG
(2,2-difluoro-3- ((6S,8R)-6-(3- fluoro-5-((1- (3- f...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)CO)c1ncc(OC2CN(CCCF)C2)cc1F
Show InChI InChI=1S/C25H29F4N5O2/c1-15-7-19-18(3-4-22-20(19)10-31-32-22)24(34(15)13-25(28,29)14-35)23-21(27)8-16(9-30-23)36-17-11-33(12-17)6-2-5-26/h3-4,8-10,15,17,24,35H,2,5-7,11-14H2,1H3,(H,31,32)/t15-,24+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
hERG (human ether go go-related gene) potassium channels are essential for normal electrical activity in the heart. Arrhythmia can be induced by a bl...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM300950
PNG
(Preparation of 2,2-difluoro-3-((6S,8R)-6-(5-((1-(3...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)CO)c1ccc(NC2CN(CCCF)C2)cn1
Show InChI InChI=1S/C25H31F3N6O/c1-16-9-20-19(4-6-22-21(20)11-30-32-22)24(34(16)14-25(27,28)15-35)23-5-3-17(10-29-23)31-18-12-33(13-18)8-2-7-26/h3-6,10-11,16,18,24,31,35H,2,7-9,12-15H2,1H3,(H,30,32)/t16-,24+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
hERG (human ether go go-related gene) potassium channels are essential for normal electrical activity in the heart. Arrhythmia can be induced by a bl...


US Patent US10131663 (2018)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM300996
PNG
(2,2-difluoro-3- ((6S,8R)-1- fluoro-6-(6- fluoro-5-...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]nc(F)c23)[C@H](N1CC(F)(F)CO)c1ccc(NC2CN(CCCF)C2)c(F)n1
Show InChI InChI=1S/C25H29F5N6O/c1-14-9-17-16(3-4-18-21(17)24(28)34-33-18)22(36(14)12-25(29,30)13-37)19-5-6-20(23(27)32-19)31-15-10-35(11-15)8-2-7-26/h3-6,14-15,22,31,37H,2,7-13H2,1H3,(H,33,34)/t14-,22+/m1/s1
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AstraZeneca AB

US Patent


Assay Description
hERG (human ether go go-related gene) potassium channels are essential for normal electrical activity in the heart. Arrhythmia can be induced by a bl...


US Patent US10131663 (2018)

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