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Compile Data Set for Download or QSAR

Found 522 hits with Last Name = 'o donovan' and Initial = 'dh'   
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 |r|
PDB

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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)


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,$;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;$|
PDB

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n/an/a 0.0500n/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))
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|
PDB

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n/an/a 0.0550n/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))
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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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|
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))
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))
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))
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|
PDB

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n/an/a 0.0770n/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))
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|
PDB

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n/an/a 0.0780n/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))
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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n/an/a 0.0790n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10149839 (2018)


BindingDB Entry DOI: 10.7270/Q28P62M5
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))
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|
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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

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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))
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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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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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|
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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))
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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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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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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n/an/a 0.100n/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))
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|
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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))
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|
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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))
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
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|
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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))
BDBM306768
PNG
(N1-(4- ((1R,3R)-2- (2,2- difluoroethyl)- 3-methyl-...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)F)c1c(F)cc(NCCNCCCF)cc1F |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))
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 |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))
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 |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))
BDBM306734
PNG
(3-(3,5- difluoro-4- ((1R,3R)-2-(2- fluoro-2-methyl...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(OCC(CO)NCCCF)cc1F |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))
BDBM306788
PNG
(N-(2-(4- ((1R,3R)-2- (2,2-difluoro- propyl)-3- met...)
Show SMILES COc1cc(OCCNCCCF)ccc1[C@H]1N(CC(C)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21 |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))
BDBM306755
PNG
(3-Fluoro-N-(2-((4-methoxy-5-((1R,3R)-3-methyl-2-(2...)
Show SMILES COc1cc(OCCNCCCF)ncc1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21 |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))
BDBM306750
PNG
((6-chloro-4-methoxypyridin-3-yl)methanol | US10149...)
Show SMILES COc1cc(OCCNCCCF)ncc1[C@H]1N(CC(C)(C)F)[C@H](C)Cc2c1[nH]c1ccccc21 |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))
BDBM306717
PNG
(N-(2-(3,5-difluoro-4-((1R,3R)-2-(2-fluoro-2-methyl...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(OCCNCCC(F)F)cc1F |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))
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 |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))
BDBM306757
PNG
(N-(2-(4-((1R,3R)-2-(2,2-Difluoroethyl)-3-methyl-2,...)
Show SMILES COc1cc(OCCNCCCF)ccc1[C@H]1N(CC(F)F)[C@H](C)Cc2c1[nH]c1ccccc21 |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))
BDBM300951
PNG
(N-[1-(3-fluoropropyl)azetidin-3-yl]-6-[(6S,8R)-8-m...)
Show SMILES C[C@H](Cc1cccc(N)c1C)NC(=O)C(F)(F)F |r|
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
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))
BDBM306722
PNG
(3-fluoro-N-(2-(4-((1R,3R)-2-((3-fluorooxetan-3-yl)...)
Show SMILES COc1cc(OCCNCCCF)ccc1[C@H]1N(CC2(F)COC2)[C@H](C)Cc2c1[nH]c1ccccc21 |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))
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 |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))
BDBM306754
PNG
(N-(2-((5-((1R,3R)-2-(2,2-difluoroethyl)-3-methyl-2...)
Show SMILES COc1cc(OCCNCCCF)ncc1[C@H]1N(CC(F)F)[C@H](C)Cc2c1[nH]c1ccccc21 |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))
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 |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))
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

UniProtKB/SwissProt

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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 US10131663 (2018)


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


(Homo sapiens (Human))
BDBM306758
PNG
(N1-(3,5-difluoro-4-((1R,3R)-2-((3-fluorooxetan-3-y...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)COC1)c1c(F)cc(NCCNCCCF)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))
BDBM306726
PNG
(N-(2-(4- ((1R,3R)-2- (2,2- difluoropropyl)- 3-meth...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(F)F)c1c(F)cc(OCCNCCCF)cc1F |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))
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 |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))
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 |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))
BDBM306769
PNG
(N-(2-(4- ((1R,3R)-2- (2,2-difluoro- propyl)-3- met...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(F)F)c1ccc(OCCNCCCF)cc1F |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))
BDBM300963
PNG
(2-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)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))
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|
PDB

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AstraZeneca AB

US Patent


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


US Patent US10149839 (2018)


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


(Homo sapiens (Human))
BDBM306778
PNG
(2,2-difluoro-3- ((1R,3R)-1-(6- (2-((3- fluoropropy...)
Show SMILES COc1cc(OCCNCCCF)ncc1[C@H]1N(CC(F)(F)CO)[C@H](C)Cc2c1[nH]c1ccccc21 |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))
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 |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
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