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Patent code US10221173

Compile Data Set for Download or QSAR

Found 451 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
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361453
PNG
(2,2-difluoro-3- ((1R,3R)-1-(6- fluoro-3-(2- ((3- f...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)ccc(OCCNCCCF)c1C
Show InChI InChI=1S/C27H33F4N3O2/c1-17-14-20-19-6-3-4-7-22(19)33-25(20)26(34(17)15-27(30,31)16-35)24-18(2)23(9-8-21(24)29)36-13-12-32-11-5-10-28/h3-4,6-9,17,26,32-33,35H,5,10-16H2,1-2H3/t17-,26-/m1/s1
PDB

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UniChem
US Patent
n/an/a 0.0340n/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 US10221173 (2019)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361490
PNG
(N-(2-(3- ((1R,3R)-2- (2,2- difluoroethyl)- 3-methy...)
Show SMILES COc1ccc(OCCNCCCF)c(F)c1[C@H]1N(CC(F)F)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1S/C26H31F4N3O2/c1-16-14-18-17-6-3-4-7-19(17)32-25(18)26(33(16)15-22(28)29)23-20(34-2)8-9-21(24(23)30)35-13-12-31-11-5-10-27/h3-4,6-9,16,22,26,31-32H,5,10-15H2,1-2H3/t16-,26-/m1/s1
PDB

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UniChem
US Patent
n/an/a 0.0420n/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 US10221173 (2019)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361518
PNG
(2,2-difluoro-3- ((1R,3R)-1-(5- fluoro-2-(2- ((3- f...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)cnc(OCCNCCCF)c1C
Show InChI InChI=1S/C26H32F4N4O2/c1-16-12-19-18-6-3-4-7-21(18)33-23(19)24(34(16)14-26(29,30)15-35)22-17(2)25(32-13-20(22)28)36-11-10-31-9-5-8-27/h3-4,6-7,13,16,24,31,33,35H,5,8-12,14-15H2,1-2H3/t16-,24-/m1/s1
PDB

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PC sid
UniChem
US Patent
n/an/a 0.0450n/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 US10221173 (2019)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361473
PNG
(3-((1R,3R)-1- (3,5-difluoro- 2-(2-((3- fluoropropy...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccc(F)cc23)[C@H](N1CC(F)(F)CO)c1c(F)cnc(OCCNCCCF)c1F
Show InChI InChI=1S/C25H28F6N4O2/c1-14-9-17-16-10-15(27)3-4-19(16)34-22(17)23(35(14)12-25(30,31)13-36)20-18(28)11-33-24(21(20)29)37-8-7-32-6-2-5-26/h3-4,10-11,14,23,32,34,36H,2,5-9,12-13H2,1H3/t14-,23-/m1/s1
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UniChem
US Patent
n/an/a 0.0580n/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 US10221173 (2019)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361420
PNG
(Preparation of 3-fluoro-N-(2-((5-methoxy-4-((1R,3R...)
Show SMILES COc1cnc(OCCNCCCF)cc1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1S/C25H30F4N4O2/c1-16-12-18-17-6-3-4-7-20(17)32-23(18)24(33(16)15-25(27,28)29)19-13-22(31-14-21(19)34-2)35-11-10-30-9-5-8-26/h3-4,6-7,13-14,16,24,30,32H,5,8-12,15H2,1-2H3/t16-,24-/m1/s1
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US Patent
n/an/a 0.0590n/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 US10221173 (2019)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361495
PNG
(3-((1R,3R)-1- (6-fluoro-3-(2- ((3- fluoropropyl) a...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CCC#N)c1c(F)ccc(OCCNCCCF)c1C
Show InChI InChI=1S/C27H32F2N4O/c1-18-17-21-20-7-3-4-8-23(20)32-26(21)27(33(18)15-6-12-30)25-19(2)24(10-9-22(25)29)34-16-14-31-13-5-11-28/h3-4,7-10,18,27,31-32H,5-6,11,13-17H2,1-2H3/t18-,27-/m1/s1
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UniChem
US Patent
n/an/a 0.0650n/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 US10221173 (2019)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361519
PNG
(3-((1R,3R)-1- (3-chloro-5- fluoro-2-(2- ((3- fluor...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)cnc(OCCNCCCF)c1Cl
Show InChI InChI=1S/C25H29ClF4N4O2/c1-15-11-17-16-5-2-3-6-19(16)33-22(17)23(34(15)13-25(29,30)14-35)20-18(28)12-32-24(21(20)26)36-10-9-31-8-4-7-27/h2-3,5-6,12,15,23,31,33,35H,4,7-11,13-14H2,1H3/t15-,23-/m1/s1
PDB

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UniChem
US Patent
n/an/a 0.0700n/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 US10221173 (2019)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361472
PNG
(3-((1R,3R)-1- (3,5-difluoro- 2-(2-((3- fluoropropy...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)cnc(OCCNCCCF)c1F
Show InChI InChI=1S/C25H29F5N4O2/c1-15-11-17-16-5-2-3-6-19(16)33-22(17)23(34(15)13-25(29,30)14-35)20-18(27)12-32-24(21(20)28)36-10-9-31-8-4-7-26/h2-3,5-6,12,15,23,31,33,35H,4,7-11,13-14H2,1H3/t15-,23-/m1/s1
PDB

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UniChem
US Patent
n/an/a 0.0710n/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 US10221173 (2019)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361470
PNG
(3-((1R,3R)-1- (2,6-difluoro- 3-(2-((3- fluoropropy...)
Show SMILES C[C@@H]1Cc2c([nH]c3cccc(F)c23)[C@H](N1CC(F)(F)CO)c1c(F)ccc(OCCNCCCF)c1F
Show InChI InChI=1S/C26H29F6N3O2/c1-15-12-16-21-17(28)4-2-5-19(21)34-24(16)25(35(15)13-26(31,32)14-36)22-18(29)6-7-20(23(22)30)37-11-10-33-9-3-8-27/h2,4-7,15,25,33-34,36H,3,8-14H2,1H3/t15-,25-/m1/s1
PDB

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UniChem
US Patent
n/an/a 0.0760n/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 US10221173 (2019)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361423
PNG
(3-((1R,3R)-1-(2,6-difluoro-3-(2-((3-fluoropropyl)a...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccc(F)cc23)[C@H](N1CC(F)(F)CO)c1c(F)ccc(OCCNCCCF)c1F
Show InChI InChI=1S/C26H29F6N3O2/c1-15-11-18-17-12-16(28)3-5-20(17)34-24(18)25(35(15)13-26(31,32)14-36)22-19(29)4-6-21(23(22)30)37-10-9-33-8-2-7-27/h3-6,12,15,25,33-34,36H,2,7-11,13-14H2,1H3/t15-,25-/m1/s1
PDB

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PC sid
UniChem
US Patent
n/an/a 0.0790n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10221173 (2019)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361441
PNG
(3-fluoro-N-(2- (4-fluoro-2- methyl-3- ((1R,3R)-3- ...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1c(F)ccc(OCCNCCCF)c1C
Show InChI InChI=1S/C26H30F5N3O/c1-16-14-19-18-6-3-4-7-21(18)33-24(19)25(34(16)15-26(29,30)31)23-17(2)22(9-8-20(23)28)35-13-12-32-11-5-10-27/h3-4,6-9,16,25,32-33H,5,10-15H2,1-2H3/t16-,25-/m1/s1
PDB

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UniChem
US Patent
n/an/a 0.0810n/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 US10221173 (2019)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361511
PNG
(2,2-difluoro-3- ((1R,3R)-1-(2- (2-((3- fluoropropy...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1ccnc(OCCNCCCF)c1C
Show InChI InChI=1S/C26H33F3N4O2/c1-17-14-21-20-6-3-4-7-22(20)32-23(21)24(33(17)15-26(28,29)16-34)19-8-11-31-25(18(19)2)35-13-12-30-10-5-9-27/h3-4,6-8,11,17,24,30,32,34H,5,9-10,12-16H2,1-2H3/t17-,24-/m1/s1
PDB

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US Patent
n/an/a 0.0840n/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 US10221173 (2019)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361417
PNG
(Preparation of N-(2-(2,4-difluoro-3-((1R,3R)-3-met...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1c(F)ccc(OCCNCCCF)c1F
Show InChI InChI=1S/C25H27F6N3O/c1-15-13-17-16-5-2-3-6-19(16)33-23(17)24(34(15)14-25(29,30)31)21-18(27)7-8-20(22(21)28)35-12-11-32-10-4-9-26/h2-3,5-8,15,24,32-33H,4,9-14H2,1H3/t15-,24-/m1/s1
PDB

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PC sid
UniChem
US Patent
n/an/a 0.0880n/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 US10221173 (2019)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361493
PNG
(3-((1R,3R)-1- (2-chloro-6- fluoro-3-(2- ((3- fluor...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)ccc(OCCNCCCF)c1Cl
Show InChI InChI=1S/C26H30ClF4N3O2/c1-16-13-18-17-5-2-3-6-20(17)33-24(18)25(34(16)14-26(30,31)15-35)22-19(29)7-8-21(23(22)27)36-12-11-32-10-4-9-28/h2-3,5-8,16,25,32-33,35H,4,9-15H2,1H3/t16-,25-/m1/s1
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.0890n/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 US10221173 (2019)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361422
PNG
(3-((1R,3R)-1-(2,6-difluoro-3-(2-((3-fluoropropyl)a...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)ccc(OCCNCCCF)c1F
Show InChI InChI=1S/C26H30F5N3O2/c1-16-13-18-17-5-2-3-6-20(17)33-24(18)25(34(16)14-26(30,31)15-35)22-19(28)7-8-21(23(22)29)36-12-11-32-10-4-9-27/h2-3,5-8,16,25,32-33,35H,4,9-15H2,1H3/t16-,25-/m1/s1
PDB

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US Patent
n/an/a 0.0920n/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 US10221173 (2019)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361514
PNG
(3-fluoro-N-(2- ((3-methyl-4- ((1R,3R)-3- methyl-2-...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1ccnc(OCCNCCCF)c1C
Show InChI InChI=1S/C25H30F4N4O/c1-16-14-20-19-6-3-4-7-21(19)32-22(20)23(33(16)15-25(27,28)29)18-8-11-31-24(17(18)2)34-13-12-30-10-5-9-26/h3-4,6-8,11,16,23,30,32H,5,9-10,12-15H2,1-2H3/t16-,23-/m1/s1
PDB

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n/an/a 0.0950n/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 US10221173 (2019)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361476
PNG
(3-((1R,3R)-1- (2- (difluoromethyl)- 3-(2-((3- fluo...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1cccc(OCCNCCCF)c1C(F)F
Show InChI InChI=1S/C27H32F5N3O2/c1-17-14-20-18-6-2-3-8-21(18)34-24(20)25(35(17)15-27(31,32)16-36)19-7-4-9-22(23(19)26(29)30)37-13-12-33-11-5-10-28/h2-4,6-9,17,25-26,33-34,36H,5,10-16H2,1H3/t17-,25-/m1/s1
PDB

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UniChem
US Patent
n/an/a 0.0950n/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 US10221173 (2019)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361475
PNG
(3-((1R,3R)-1- (3,5-difluoro- 2-(2-((3- fluoropropy...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccc(F)cc23)[C@H](N1CC(F)(F)CO)c1c(F)cnc(OCCN(C)CCCF)c1F
Show InChI InChI=1S/C26H30F6N4O2/c1-15-10-18-17-11-16(28)4-5-20(17)34-23(18)24(36(15)13-26(31,32)14-37)21-19(29)12-33-25(22(21)30)38-9-8-35(2)7-3-6-27/h4-5,11-12,15,24,34,37H,3,6-10,13-14H2,1-2H3/t15-,24-/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.0990n/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 US10221173 (2019)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361486
PNG
(N-(2-(4- chloro-2- fluoro-3- ((1R,3R)-3- methyl-2-...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1c(Cl)ccc(OCCNCCCF)c1F
Show InChI InChI=1S/C25H27ClF5N3O/c1-15-13-17-16-5-2-3-6-19(16)33-23(17)24(34(15)14-25(29,30)31)21-18(26)7-8-20(22(21)28)35-12-11-32-10-4-9-27/h2-3,5-8,15,24,32-33H,4,9-14H2,1H3/t15-,24-/m1/s1
PDB

UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/a 0.120n/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 US10221173 (2019)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361468
PNG
(3-((1R,3R)-1- (2,6-difluoro- 3-(2-((3- fluoropropy...)
Show SMILES C[C@@H]1Cc2c([nH]c3c(F)cccc23)[C@H](N1CC(F)(F)CO)c1c(F)ccc(OCCNCCCF)c1F
Show InChI InChI=1S/C26H29F6N3O2/c1-15-12-17-16-4-2-5-19(29)23(16)34-24(17)25(35(15)13-26(31,32)14-36)21-18(28)6-7-20(22(21)30)37-11-10-33-9-3-8-27/h2,4-7,15,25,33-34,36H,3,8-14H2,1H3/t15-,25-/m1/s1
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n/an/a 0.120n/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 US10221173 (2019)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361459
PNG
(N-(2-(3- ((1R,3R)-2- (2,2- difluoroethyl)- 3-methy...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)F)c1c(F)ccc(OCCNCCCF)c1F
Show InChI InChI=1S/C25H28F5N3O/c1-15-13-17-16-5-2-3-6-19(16)32-24(17)25(33(15)14-21(28)29)22-18(27)7-8-20(23(22)30)34-12-11-31-10-4-9-26/h2-3,5-8,15,21,25,31-32H,4,9-14H2,1H3/t15-,25-/m1/s1
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n/an/a 0.120n/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 US10221173 (2019)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361415
PNG
(3-Fluoro-N-(2-(4-methoxy-3-((1R,3R)-3-methyl-2-(2,...)
Show SMILES COc1ccc(OCCNCCCF)cc1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1S/C26H31F4N3O2/c1-17-14-20-19-6-3-4-7-22(19)32-24(20)25(33(17)16-26(28,29)30)21-15-18(8-9-23(21)34-2)35-13-12-31-11-5-10-27/h3-4,6-9,15,17,25,31-32H,5,10-14,16H2,1-2H3/t17-,25-/m1/s1
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n/an/a 0.120n/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 US10221173 (2019)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361430
PNG
(N-(2-(4- chloro-3- ((1R,3R)-3- methyl-2- (2,2,2- t...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1cc(OCCNCCCF)ccc1Cl
Show InChI InChI=1S/C25H28ClF4N3O/c1-16-13-19-18-5-2-3-6-22(18)32-23(19)24(33(16)15-25(28,29)30)20-14-17(7-8-21(20)26)34-12-11-31-10-4-9-27/h2-3,5-8,14,16,24,31-32H,4,9-13,15H2,1H3/t16-,24-/m1/s1
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n/an/a 0.120n/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 US10221173 (2019)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361497
PNG
(3-((1R,3R)-1- (2,6-difluoro- 3-((2-((3- fluoroprop...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccc(F)cc23)[C@H](N1CC(F)(F)CO)c1c(F)ccc(NCCNCCCF)c1F
Show InChI InChI=1S/C26H30F6N4O/c1-15-11-18-17-12-16(28)3-5-20(17)35-24(18)25(36(15)13-26(31,32)14-37)22-19(29)4-6-21(23(22)30)34-10-9-33-8-2-7-27/h3-6,12,15,25,33-35,37H,2,7-11,13-14H2,1H3/t15-,25-/m1/s1
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n/an/a 0.140n/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 US10221173 (2019)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361452
PNG
(3-((1R,3R)-1- (2-chloro-5-(2- ((3- fluoropropyl) a...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1cc(OCCNCCCF)ccc1Cl
Show InChI InChI=1S/C26H31ClF3N3O2/c1-17-13-20-19-5-2-3-6-23(19)32-24(20)25(33(17)15-26(29,30)16-34)21-14-18(7-8-22(21)27)35-12-11-31-10-4-9-28/h2-3,5-8,14,17,25,31-32,34H,4,9-13,15-16H2,1H3/t17-,25-/m1/s1
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n/an/a 0.140n/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 US10221173 (2019)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361419
PNG
(Preparation of 3-fluoro-N-(2-(2-fluoro-4-methoxy-3...)
Show SMILES COc1ccc(OCCNCCCF)c(F)c1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1S/C26H30F5N3O2/c1-16-14-18-17-6-3-4-7-19(17)33-24(18)25(34(16)15-26(29,30)31)22-20(35-2)8-9-21(23(22)28)36-13-12-32-11-5-10-27/h3-4,6-9,16,25,32-33H,5,10-15H2,1-2H3/t16-,25-/m1/s1
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AstraZeneca AB

US Patent


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


US Patent US10221173 (2019)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361457
PNG
(2,2-difluoro-3- ((1R,3R)-1-(5- ((S)-2-((3- fluorop...)
Show SMILES COc1ccc(OC[C@H](C)NCCCF)cc1[C@H]1N(CC(F)(F)CO)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1S/C28H36F3N3O3/c1-18(32-12-6-11-29)15-37-20-9-10-25(36-3)23(14-20)27-26-22(21-7-4-5-8-24(21)33-26)13-19(2)34(27)16-28(30,31)17-35/h4-5,7-10,14,18-19,27,32-33,35H,6,11-13,15-17H2,1-3H3/t18-,19+,27+/m0/s1
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n/an/a 0.150n/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 US10221173 (2019)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361434
PNG
(3-fluoro-N-(2- (4-methoxy-2- methyl-3- ((1R,3R)-3-...)
Show SMILES COc1ccc(OCCNCCCF)c(C)c1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1S/C27H33F4N3O2/c1-17-15-20-19-7-4-5-8-21(19)33-25(20)26(34(17)16-27(29,30)31)24-18(2)22(9-10-23(24)35-3)36-14-13-32-12-6-11-28/h4-5,7-10,17,26,32-33H,6,11-16H2,1-3H3/t17-,26-/m1/s1
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n/an/a 0.160n/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 US10221173 (2019)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361487
PNG
(N-(2-(2,4- dimethyl-3- ((1R,3R)-3- methyl-2- (2,2,...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1c(C)ccc(OCCNCCCF)c1C
Show InChI InChI=1S/C27H33F4N3O/c1-17-9-10-23(35-14-13-32-12-6-11-28)19(3)24(17)26-25-21(20-7-4-5-8-22(20)33-25)15-18(2)34(26)16-27(29,30)31/h4-5,7-10,18,26,32-33H,6,11-16H2,1-3H3/t18-,26-/m1/s1
PDB

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n/an/a 0.160n/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 US10221173 (2019)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361492
PNG
(3-fluoro-N-(2- (2-fluoro-3- ((1R,3R)-2-((3- fluoro...)
Show SMILES COc1ccc(OCCNCCCF)c(F)c1[C@H]1N(CC2(F)COC2)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1S/C28H34F3N3O3/c1-18-14-20-19-6-3-4-7-21(19)33-26(20)27(34(18)15-28(31)16-36-17-28)24-22(35-2)8-9-23(25(24)30)37-13-12-32-11-5-10-29/h3-4,6-9,18,27,32-33H,5,10-17H2,1-2H3/t18-,27-/m1/s1
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n/an/a 0.160n/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 US10221173 (2019)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361489
PNG
(2,2-difluoro-3- ((1R,3R)-1-(2- fluoro-3-(2- ((3- f...)
Show SMILES COc1ccc(OCCNCCCF)c(F)c1[C@H]1N(CC(F)(F)CO)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1S/C27H33F4N3O3/c1-17-14-19-18-6-3-4-7-20(18)33-25(19)26(34(17)15-27(30,31)16-35)23-21(36-2)8-9-22(24(23)29)37-13-12-32-11-5-10-28/h3-4,6-9,17,26,32-33,35H,5,10-16H2,1-2H3/t17-,26-/m1/s1
PDB

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n/an/a 0.170n/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 US10221173 (2019)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361494
PNG
(2,2-difluoro-3- ((1R,3R)-6- fluoro-1-(2- fluoro-3-...)
Show SMILES COc1ccc(OCCNCCCF)c(F)c1[C@H]1N(CC(F)(F)CO)[C@H](C)Cc2c1[nH]c1ccc(F)cc21
Show InChI InChI=1S/C27H32F5N3O3/c1-16-12-19-18-13-17(29)4-5-20(18)34-25(19)26(35(16)14-27(31,32)15-36)23-21(37-2)6-7-22(24(23)30)38-11-10-33-9-3-8-28/h4-7,13,16,26,33-34,36H,3,8-12,14-15H2,1-2H3/t16-,26-/m1/s1
PDB

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AstraZeneca AB

US Patent


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


US Patent US10221173 (2019)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361512
PNG
(3-((1R,3R)-1- (3-chloro-2-(2- ((3- fluoropropyl) a...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1ccnc(OCCNCCCF)c1Cl
Show InChI InChI=1S/C25H30ClF3N4O2/c1-16-13-19-17-5-2-3-6-20(17)32-22(19)23(33(16)14-25(28,29)15-34)18-7-10-31-24(21(18)26)35-12-11-30-9-4-8-27/h2-3,5-7,10,16,23,30,32,34H,4,8-9,11-15H2,1H3/t16-,23-/m1/s1
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AstraZeneca AB

US Patent


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


US Patent US10221173 (2019)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361566
PNG
(Preparation of 3-((1R,3R)-1-(5-fluoro-2-(2-((3-flu...)
Show SMILES CC(CC(O)=O)N1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)cnc(OCCN(C)CCCF)c1C
Show InChI InChI=1S/C28H36F2N4O3/c1-17-14-21-20-8-5-6-9-23(20)32-26(21)27(34(17)18(2)15-24(35)36)25-19(3)28(31-16-22(25)30)37-13-12-33(4)11-7-10-29/h5-6,8-9,16-18,27,32H,7,10-15H2,1-4H3,(H,35,36)/t17-,18?,27-/m1/s1
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n/an/a 0.180n/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 US10221173 (2019)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361469
PNG
(3-((1R,3R)-1- (2,6-difluoro- 3-(2-((3- fluoropropy...)
Show SMILES C[C@@H]1Cc2c([nH]c3cc(F)ccc23)[C@H](N1CC(F)(F)CO)c1c(F)ccc(OCCNCCCF)c1F
Show InChI InChI=1S/C26H29F6N3O2/c1-15-11-18-17-4-3-16(28)12-20(17)34-24(18)25(35(15)13-26(31,32)14-36)22-19(29)5-6-21(23(22)30)37-10-9-33-8-2-7-27/h3-6,12,15,25,33-34,36H,2,7-11,13-14H2,1H3/t15-,25-/m1/s1
PDB

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n/an/a 0.190n/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 US10221173 (2019)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361414
PNG
(N-(2-(3-((1R,3R)-2-(2,2-difluoroethyl)-3-methyl-2,...)
Show SMILES COc1ccc(OCCNCCCF)cc1[C@H]1N(CC(F)F)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1S/C26H32F3N3O2/c1-17-14-20-19-6-3-4-7-22(19)31-25(20)26(32(17)16-24(28)29)21-15-18(8-9-23(21)33-2)34-13-12-30-11-5-10-27/h3-4,6-9,15,17,24,26,30-31H,5,10-14,16H2,1-2H3/t17-,26-/m1/s1
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n/an/a 0.190n/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 US10221173 (2019)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361446
PNG
(3-fluoro-N-(2- ((4-methyl-5- ((1R,3R)-3- methyl-2-...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1cncc(OCCNCCCF)c1C
Show InChI InChI=1S/C25H30F4N4O/c1-16-12-19-18-6-3-4-7-21(18)32-23(19)24(33(16)15-25(27,28)29)20-13-31-14-22(17(20)2)34-11-10-30-9-5-8-26/h3-4,6-7,13-14,16,24,30,32H,5,8-12,15H2,1-2H3/t16-,24-/m1/s1
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n/an/a 0.190n/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 US10221173 (2019)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361522
PNG
(3-fluoro-N-(2- ((5-methyl-6- ((1S,3R)-3- methyl-2-...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1ncnc(OCCNCCCF)c1C
Show InChI InChI=1S/C24H29F4N5O/c1-15-12-18-17-6-3-4-7-19(17)32-21(18)22(33(15)13-24(26,27)28)20-16(2)23(31-14-30-20)34-11-10-29-9-5-8-25/h3-4,6-7,14-15,22,29,32H,5,8-13H2,1-2H3/t15-,22-/m1/s1
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n/an/a 0.200n/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 US10221173 (2019)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361416
PNG
(2,2-Difluoro-3-((1R,3R)-1-(5-(2-((3-fluoropropyl)a...)
Show SMILES COc1ccc(OCCNCCCF)cc1[C@H]1N(CC(F)(F)CO)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1S/C27H34F3N3O3/c1-18-14-21-20-6-3-4-7-23(20)32-25(21)26(33(18)16-27(29,30)17-34)22-15-19(8-9-24(22)35-2)36-13-12-31-11-5-10-28/h3-4,6-9,15,18,26,31-32,34H,5,10-14,16-17H2,1-2H3/t18-,26-/m1/s1
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n/an/a 0.200n/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 US10221173 (2019)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361504
PNG
(2,2-difluoro-3- ((1S,3R)-1-(4- (2-((3- fluoropropy...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1nccc(OCCNCCCF)c1C
Show InChI InChI=1S/C26H33F3N4O2/c1-17-14-20-19-6-3-4-7-21(19)32-24(20)25(33(17)15-26(28,29)16-34)23-18(2)22(8-11-31-23)35-13-12-30-10-5-9-27/h3-4,6-8,11,17,25,30,32,34H,5,9-10,12-16H2,1-2H3/t17-,25-/m1/s1
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n/an/a 0.200n/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 US10221173 (2019)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361484
PNG
(N-(2-(2,4- difluoro-3- ((1R,3R)-2-((1- fluorocyclo...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)CC1)c1c(F)ccc(OCCNCCCF)c1F
Show InChI InChI=1S/C27H31F4N3O/c1-17-15-19-18-5-2-3-6-21(18)33-25(19)26(34(17)16-27(31)9-10-27)23-20(29)7-8-22(24(23)30)35-14-13-32-12-4-11-28/h2-3,5-8,17,26,32-33H,4,9-16H2,1H3/t17-,26-/m1/s1
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n/an/a 0.210n/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 US10221173 (2019)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361563
PNG
((2R)-3-[(1R,3R)-6-fluoro-1-[5-fluoro-2-[2-[3-fluor...)
Show SMILES C[C@H](CN1[C@H](C)Cc2c([nH]c3ccc(F)cc23)[C@H]1c1c(F)cnc(OCCN(C)CCCF)c1C)C(O)=O
Show InChI InChI=1S/C28H35F3N4O3/c1-16(28(36)37)15-35-17(2)12-21-20-13-19(30)6-7-23(20)33-25(21)26(35)24-18(3)27(32-14-22(24)31)38-11-10-34(4)9-5-8-29/h6-7,13-14,16-17,26,33H,5,8-12,15H2,1-4H3,(H,36,37)/t16-,17-,26-/m1/s1
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n/an/a 0.210n/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 US10221173 (2019)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361515
PNG
(N-(2-((3,5- difluoro-4- ((1R,3R)-3- methyl-2- (2,2...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1c(F)cnc(OCCNCCCF)c1F
Show InChI InChI=1S/C24H26F6N4O/c1-14-11-16-15-5-2-3-6-18(15)33-21(16)22(34(14)13-24(28,29)30)19-17(26)12-32-23(20(19)27)35-10-9-31-8-4-7-25/h2-3,5-6,12,14,22,31,33H,4,7-11,13H2,1H3/t14-,22-/m1/s1
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n/an/a 0.210n/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 US10221173 (2019)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361454
PNG
(2,2-difluoro-3- ((1R,3R)-6- fluoro-1-(5-(2- ((3- f...)
Show SMILES COc1ccc(OCCNCCCF)cc1[C@H]1N(CC(F)(F)CO)[C@H](C)Cc2c1[nH]c1ccc(F)cc21
Show InChI InChI=1S/C27H33F4N3O3/c1-17-12-21-20-13-18(29)4-6-23(20)33-25(21)26(34(17)15-27(30,31)16-35)22-14-19(5-7-24(22)36-2)37-11-10-32-9-3-8-28/h4-7,13-14,17,26,32-33,35H,3,8-12,15-16H2,1-2H3/t17-,26-/m1/s1
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n/an/a 0.220n/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 US10221173 (2019)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361421
PNG
(Preparation of N-(2-(2,4-difluoro-3-((1R,3R)-2-((3...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)COC1)c1c(F)ccc(OCCNCCCF)c1F
Show InChI InChI=1S/C27H31F4N3O2/c1-17-13-19-18-5-2-3-6-21(18)33-25(19)26(34(17)14-27(31)15-35-16-27)23-20(29)7-8-22(24(23)30)36-12-11-32-10-4-9-28/h2-3,5-8,17,26,32-33H,4,9-16H2,1H3/t17-,26-/m1/s1
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n/an/a 0.220n/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 US10221173 (2019)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361418
PNG
(Preparation of 3-fluoro-N-(2-(4-fluoro-3-((1R,3R)-...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1cc(OCCNCCCF)ccc1F
Show InChI InChI=1S/C25H28F5N3O/c1-16-13-19-18-5-2-3-6-22(18)32-23(19)24(33(16)15-25(28,29)30)20-14-17(7-8-21(20)27)34-12-11-31-10-4-9-26/h2-3,5-8,14,16,24,31-32H,4,9-13,15H2,1H3/t16-,24-/m1/s1
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n/an/a 0.230n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10221173 (2019)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361433
PNG
(N-(2-(2- chloro-3- ((1R,3R)-3- methyl-2- (2,2,2- t...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1cccc(OCCNCCCF)c1Cl
Show InChI InChI=1S/C25H28ClF4N3O/c1-16-14-19-17-6-2-3-8-20(17)32-23(19)24(33(16)15-25(28,29)30)18-7-4-9-21(22(18)26)34-13-12-31-11-5-10-27/h2-4,6-9,16,24,31-32H,5,10-15H2,1H3/t16-,24-/m1/s1
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n/an/a 0.25n/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 US10221173 (2019)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361447
PNG
(3-fluoroN-(2- ((5-fluoro-4- ((1R,3R)-3- methyl-2- ...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1cc(OCCNCCCF)ncc1F
Show InChI InChI=1S/C24H27F5N4O/c1-15-11-17-16-5-2-3-6-20(16)32-22(17)23(33(15)14-24(27,28)29)18-12-21(31-13-19(18)26)34-10-9-30-8-4-7-25/h2-3,5-6,12-13,15,23,30,32H,4,7-11,14H2,1H3/t15-,23-/m1/s1
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n/an/a 0.260n/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 US10221173 (2019)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361496
PNG
(N1-(2,4- difluoro-3- ((1R,3R)-3- methyl-2- (2,2,2-...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1c(F)ccc(NCCNCCCF)c1F
Show InChI InChI=1S/C25H28F6N4/c1-15-13-17-16-5-2-3-6-19(16)34-23(17)24(35(15)14-25(29,30)31)21-18(27)7-8-20(22(21)28)33-12-11-32-10-4-9-26/h2-3,5-8,15,24,32-34H,4,9-14H2,1H3/t15-,24-/m1/s1
PDB

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n/an/a 0.280n/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 US10221173 (2019)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361491
PNG
(3-fluoro-N-(2- (2-fluoro-3- ((1R,3R)-2-((1- fluoro...)
Show SMILES COc1ccc(OCCNCCCF)c(F)c1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1S/C28H34F3N3O2/c1-18-16-20-19-6-3-4-7-21(19)33-26(20)27(34(18)17-28(31)10-11-28)24-22(35-2)8-9-23(25(24)30)36-15-14-32-13-5-12-29/h3-4,6-9,18,27,32-33H,5,10-17H2,1-2H3/t18-,27-/m1/s1
PDB

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n/an/a 0.280n/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 US10221173 (2019)

More data for this
Ligand-Target Pair
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