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Compile Data Set for Download or QSAR

Found 3272 hits with Last Name = 'hughes' and Initial = 's'   
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))
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 |r|
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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)


BindingDB Entry DOI: 10.7270/Q2HD7XZS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))
BDBM300953
PNG
(N-(4-((6S,8R)-7-(2,2-difluoropropyl)-8-methyl-6,7,...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC(C)(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
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n/an/a 0.0398n/an/an/an/an/an/a


TBA

Assay Description
Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ER-alpha level incubated for 18 to 24 hrs by Alexa fluor 488/Hoechst sta...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01163
BindingDB Entry DOI: 10.7270/Q2KK9GDB
More data for this
Ligand-Target Pair
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 |r|
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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)


BindingDB Entry DOI: 10.7270/Q2HD7XZS
More data for this
Ligand-Target Pair
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 |r|
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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)


BindingDB Entry DOI: 10.7270/Q2HD7XZS
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 |r|
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 US10131663 (2018)


BindingDB Entry DOI: 10.7270/Q2P55QJ9
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 |r,$;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;$|
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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)


BindingDB Entry DOI: 10.7270/Q2P55QJ9
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 |r|
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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)


BindingDB Entry DOI: 10.7270/Q2P55QJ9
More data for this
Ligand-Target Pair
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 |r|
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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)


BindingDB Entry DOI: 10.7270/Q2HD7XZS
More data for this
Ligand-Target Pair
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 |r|
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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)


BindingDB Entry DOI: 10.7270/Q2HD7XZS
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300956
PNG
((6S,8R)-7-(2,2-difluoroethyl)-6-(4-((1-(3-fluoropr...)
Show SMILES COc1cc(OC2CN(CCCF)C2)ccc1[C@H]1N(CC(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
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n/an/a 0.0620n/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)


BindingDB Entry DOI: 10.7270/Q2P55QJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300953
PNG
(N-(4-((6S,8R)-7-(2,2-difluoropropyl)-8-methyl-6,7,...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC(C)(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
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n/an/a 0.0630n/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)


BindingDB Entry DOI: 10.7270/Q2P55QJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300962
PNG
(1-(3-fluoropropyl)-N-(3-methoxy-4-((6S,8R)-8-methy...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
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n/an/a 0.0631n/an/an/an/an/an/a


TBA

Assay Description
Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ER-alpha level incubated for 18 to 24 hrs by Alexa fluor 488/Hoechst sta...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01163
BindingDB Entry DOI: 10.7270/Q2KK9GDB
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300962
PNG
(1-(3-fluoropropyl)-N-(3-methoxy-4-((6S,8R)-8-methy...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
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 US10131663 (2018)


BindingDB Entry DOI: 10.7270/Q2P55QJ9
More data for this
Ligand-Target Pair
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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2HD7XZS
More data for this
Ligand-Target Pair
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 |r|
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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)


BindingDB Entry DOI: 10.7270/Q2HD7XZS
More data for this
Ligand-Target Pair
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 |r|
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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)


BindingDB Entry DOI: 10.7270/Q2HD7XZS
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 |r|
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 US10131663 (2018)


BindingDB Entry DOI: 10.7270/Q2P55QJ9
More data for this
Ligand-Target Pair
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 |r|
PDB

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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)


BindingDB Entry DOI: 10.7270/Q2HD7XZS
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 |r|
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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)


BindingDB Entry DOI: 10.7270/Q2P55QJ9
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 |r|
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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)


BindingDB Entry DOI: 10.7270/Q2P55QJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306756
PNG
(N-(2-((5-((1R,3R)-2-(2,2-Difluoropropyl)-3-methyl-...)
Show SMILES COc1cc(OCCNCCCF)ncc1[C@H]1N(CC(C)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
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AstraZeneca AB

US Patent


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


US Patent US10149839 (2018)


BindingDB Entry DOI: 10.7270/Q28P62M5
More data for this
Ligand-Target Pair
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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2HD7XZS
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306718
PNG
(N-(2-(3,5-difluoro-4-((1R,3R)-2-(2-fluoro-2-methyl...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(OCCNCCCF)cc1F |r|
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AstraZeneca AB

US Patent


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


US Patent US10149839 (2018)


BindingDB Entry DOI: 10.7270/Q28P62M5
More data for this
Ligand-Target Pair
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 |r|
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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)


BindingDB Entry DOI: 10.7270/Q2HD7XZS
More data for this
Ligand-Target Pair
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 |r|
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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)


BindingDB Entry DOI: 10.7270/Q2HD7XZS
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306731
PNG
(3-((1R,3R)-1- (2,6-difluoro- 4-(2-((3- fluoropropy...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(F)CO)c1c(F)cc(OCCNCCCF)cc1F |r|
PDB

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AstraZeneca AB

US Patent


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


US Patent US10149839 (2018)


BindingDB Entry DOI: 10.7270/Q28P62M5
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306764
PNG
(BDBM306765 | N-(2-(3,5- difluoro-4- ((1R,3R)-2-(2-...)
Show SMILES COCC(C)(F)CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)cc(OCCNCCCF)cc1F |r|
PDB

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AstraZeneca AB

US Patent


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


US Patent US10149839 (2018)


BindingDB Entry DOI: 10.7270/Q28P62M5
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306772
PNG
(2,2-difluoro-3- ((1R,3R)-1-(4- (2-((3- fluoropropy...)
Show SMILES COc1cc(OCCNCCCF)ccc1[C@H]1N(CC(F)(F)CO)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
PDB

UniProtKB/SwissProt

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n/an/a 0.0870n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10149839 (2018)


BindingDB Entry DOI: 10.7270/Q28P62M5
More data for this
Ligand-Target Pair
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 |r|
PDB

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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)


BindingDB Entry DOI: 10.7270/Q2HD7XZS
More data for this
Ligand-Target Pair
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 |r|
PDB

UniProtKB/SwissProt

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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)


BindingDB Entry DOI: 10.7270/Q2HD7XZS
More data for this
Ligand-Target Pair
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 |r|
PDB

UniProtKB/SwissProt

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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)


BindingDB Entry DOI: 10.7270/Q2HD7XZS
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306760
PNG
(3-((1R,3R)-1-(2,6-difluoro-4-((2-((3-fluoropropyl)...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)cc(NCCNCCCF)cc1F |r|
PDB

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n/an/a 0.0930n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10149839 (2018)


BindingDB Entry DOI: 10.7270/Q28P62M5
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306787
PNG
(3-fluoro-N-(2- (3-methoxy-4- ((1R,3R)-3- methyl-2-...)
Show SMILES COc1cc(OCCNCCCF)ccc1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
PDB

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n/an/a 0.0940n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10149839 (2018)


BindingDB Entry DOI: 10.7270/Q28P62M5
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300942
PNG
(BDBM436225 | N-(3,5-difluoro-4-((6S,8R)-7-((1-fluo...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC1(F)CC1)c1c(F)cc(NC2CN(CCCF)C2)cc1F |r|
PDB

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n/an/a 0.0940n/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)


BindingDB Entry DOI: 10.7270/Q2P55QJ9
More data for this
Ligand-Target Pair
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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2HD7XZS
More data for this
Ligand-Target Pair
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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2HD7XZS
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 |r,$;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;$|
PDB

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n/an/a 0.0960n/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)


BindingDB Entry DOI: 10.7270/Q2P55QJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300955
PNG
(N-(4-((6S,8R)-7-(2,2-difluoroethyl)-8-methyl-6,7,8...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
PDB

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n/an/a 0.0980n/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)


BindingDB Entry DOI: 10.7270/Q2P55QJ9
More data for this
Ligand-Target Pair
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 |r|
PDB

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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)


BindingDB Entry DOI: 10.7270/Q2HD7XZS
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300955
PNG
(N-(4-((6S,8R)-7-(2,2-difluoroethyl)-8-methyl-6,7,8...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
PDB

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n/an/a 0.100n/an/an/an/an/an/a


TBA

Assay Description
Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ER-alpha level incubated for 18 to 24 hrs by Alexa fluor 488/Hoechst sta...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01163
BindingDB Entry DOI: 10.7270/Q2KK9GDB
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 |r|
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 US10131663 (2018)


BindingDB Entry DOI: 10.7270/Q2P55QJ9
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 |r,$;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;$|
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 US10131663 (2018)


BindingDB Entry DOI: 10.7270/Q2P55QJ9
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 |r|
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 US10131663 (2018)


BindingDB Entry DOI: 10.7270/Q2P55QJ9
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 |r|
PDB

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n/an/a 0.110n/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)


BindingDB Entry DOI: 10.7270/Q2P55QJ9
More data for this
Ligand-Target Pair
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 |r|
PDB

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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)


BindingDB Entry DOI: 10.7270/Q2HD7XZS
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306724
PNG
(3-((1R,3R)-1-(2,6-difluoro-4-(2-((3-fluoropropyl)a...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)cc(OCCNCCCF)cc1F |r|
PDB

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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 US10149839 (2018)


BindingDB Entry DOI: 10.7270/Q28P62M5
More data for this
Ligand-Target Pair
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 |r|
PDB

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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)


BindingDB Entry DOI: 10.7270/Q2HD7XZS
More data for this
Ligand-Target Pair
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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2HD7XZS
More data for this
Ligand-Target Pair
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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2HD7XZS
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 |r|
PDB

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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 US10131663 (2018)


BindingDB Entry DOI: 10.7270/Q2P55QJ9
More data for this
Ligand-Target Pair
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