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Patent code US10590132

Compile Data Set for Download or QSAR

Found 289 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Estrogen receptor(ER) (aa 307-554)


(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
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.430n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
ERα: The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha-LBD (GST)) was assessed in competition...


US Patent US10590132 (2020)

More data for this
Ligand-Target Pair
Estrogen receptor(ER) (aa 307-554)


(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
PDB

GoogleScholar
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UniChem
US Patent
n/an/a 0.540n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
ERα: The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha-LBD (GST)) was assessed in competition...


US Patent US10590132 (2020)

More data for this
Ligand-Target Pair
Estrogen receptor(ER) (aa 307-554)


(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
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.550n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
ERα: The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha-LBD (GST)) was assessed in competition...


US Patent US10590132 (2020)

More data for this
Ligand-Target Pair
Estrogen receptor(ER) (aa 307-554)


(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
PDB

GoogleScholar
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PC sid
UniChem
US Patent
n/an/a 0.560n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
ERα: The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha-LBD (GST)) was assessed in competition...


US Patent US10590132 (2020)

More data for this
Ligand-Target Pair
Estrogen receptor(ER) (aa 307-554)


(Homo sapiens (Human))
BDBM361460
PNG
(3-fluoro-N-(2- (3-((1R,3R)-2- ((1- fluorocycloprop...)
Show SMILES COc1ccc(OCCNCCCF)cc1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1[nH]c1ccccc21
PDB

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PC sid
UniChem
US Patent
n/an/a 0.580n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
ERα: The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha-LBD (GST)) was assessed in competition...


US Patent US10590132 (2020)

More data for this
Ligand-Target Pair
Estrogen receptor(ER) (aa 307-554)


(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
PDB

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UniChem
US Patent
n/an/a 0.600n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
ERα: The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha-LBD (GST)) was assessed in competition...


US Patent US10590132 (2020)

More data for this
Ligand-Target Pair
Estrogen receptor(ER) (aa 307-554)


(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
PDB

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PC sid
UniChem
US Patent
n/an/a 0.620n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
ERα: The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha-LBD (GST)) was assessed in competition...


US Patent US10590132 (2020)

More data for this
Ligand-Target Pair
Estrogen receptor(ER) (aa 307-554)


(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
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.640n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
ERα: The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha-LBD (GST)) was assessed in competition...


US Patent US10590132 (2020)

More data for this
Ligand-Target Pair
Estrogen receptor(ER) (aa 307-554)


(Homo sapiens (Human))
BDBM361498
PNG
(N1-(2-fluoro- 4-methoxy-3- ((1R,3R)-3- methyl-2- (...)
Show SMILES COc1ccc(NCCNCCCF)c(F)c1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21
PDB

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PC sid
UniChem
US Patent
n/an/a 0.650n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
ERα: The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha-LBD (GST)) was assessed in competition...


US Patent US10590132 (2020)

More data for this
Ligand-Target Pair
Estrogen receptor(ER) (aa 307-554)


(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
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.690n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
ERα: The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha-LBD (GST)) was assessed in competition...


US Patent US10590132 (2020)

More data for this
Ligand-Target Pair
Estrogen receptor(ER) (aa 307-554)


(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
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.690n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
ERα: The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha-LBD (GST)) was assessed in competition...


US Patent US10590132 (2020)

More data for this
Ligand-Target Pair
Estrogen receptor(ER) (aa 307-554)


(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
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.700n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
ERα: The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha-LBD (GST)) was assessed in competition...


US Patent US10590132 (2020)

More data for this
Ligand-Target Pair
Estrogen receptor(ER) (aa 307-554)


(Homo sapiens (Human))
BDBM361474
PNG
(3-((1R,3R)-1- (3,5-difluoro- 2-(2-((3- fluoropropy...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccc(C)cc23)[C@H](N1CC(F)(F)CO)c1c(F)cnc(OCCNCCCF)c1F
PDB

GoogleScholar
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PC sid
UniChem
US Patent
n/an/a 0.710n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
ERα: The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha-LBD (GST)) was assessed in competition...


US Patent US10590132 (2020)

More data for this
Ligand-Target Pair
Estrogen receptor(ER) (aa 307-554)


(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
PDB

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US Patent
n/an/a 0.710n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
ERα: The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha-LBD (GST)) was assessed in competition...


US Patent US10590132 (2020)

More data for this
Ligand-Target Pair
Estrogen receptor(ER) (aa 307-554)


(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
PDB

GoogleScholar
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PC sid
UniChem
US Patent
n/an/a 0.720n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
ERα: The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha-LBD (GST)) was assessed in competition...


US Patent US10590132 (2020)

More data for this
Ligand-Target Pair
Estrogen receptor(ER) (aa 307-554)


(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
PDB

GoogleScholar
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PC sid
UniChem
US Patent
n/an/a 0.740n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
ERα: The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha-LBD (GST)) was assessed in competition...


US Patent US10590132 (2020)

More data for this
Ligand-Target Pair
Estrogen receptor(ER) (aa 307-554)


(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
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.780n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
ERα: The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha-LBD (GST)) was assessed in competition...


US Patent US10590132 (2020)

More data for this
Ligand-Target Pair
Estrogen receptor(ER) (aa 307-554)


(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
PDB

GoogleScholar
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PC sid
UniChem
US Patent
n/an/a 0.790n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
ERα: The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha-LBD (GST)) was assessed in competition...


US Patent US10590132 (2020)

More data for this
Ligand-Target Pair
Estrogen receptor(ER) (aa 307-554)


(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
PDB

GoogleScholar
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PC sid
UniChem
US Patent
n/an/a 0.800n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
ERα: The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha-LBD (GST)) was assessed in competition...


US Patent US10590132 (2020)

More data for this
Ligand-Target Pair
Estrogen receptor(ER) (aa 307-554)


(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
PDB

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PC sid
UniChem
US Patent
n/an/a 0.840n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
ERα: The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha-LBD (GST)) was assessed in competition...


US Patent US10590132 (2020)

More data for this
Ligand-Target Pair
Estrogen receptor(ER) (aa 307-554)


(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
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.850n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
ERα: The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha-LBD (GST)) was assessed in competition...


US Patent US10590132 (2020)

More data for this
Ligand-Target Pair
Estrogen receptor(ER) (aa 307-554)


(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
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.860n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
ERα: The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha-LBD (GST)) was assessed in competition...


US Patent US10590132 (2020)

More data for this
Ligand-Target Pair
Estrogen receptor(ER) (aa 307-554)


(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
PDB

GoogleScholar
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PC sid
UniChem
US Patent
n/an/a 0.880n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
ERα: The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha-LBD (GST)) was assessed in competition...


US Patent US10590132 (2020)

More data for this
Ligand-Target Pair
Estrogen receptor(ER) (aa 307-554)


(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
PDB

GoogleScholar
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PC sid
UniChem
US Patent
n/an/a 0.900n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
ERα: The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha-LBD (GST)) was assessed in competition...


US Patent US10590132 (2020)

More data for this
Ligand-Target Pair
Estrogen receptor(ER) (aa 307-554)


(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
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.910n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
ERα: The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha-LBD (GST)) was assessed in competition...


US Patent US10590132 (2020)

More data for this
Ligand-Target Pair
Estrogen receptor(ER) (aa 307-554)


(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
PDB

GoogleScholar
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PC sid
UniChem
US Patent
n/an/a 0.920n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
ERα: The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha-LBD (GST)) was assessed in competition...


US Patent US10590132 (2020)

More data for this
Ligand-Target Pair
Estrogen receptor(ER) (aa 307-554)


(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
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.940n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
ERα: The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha-LBD (GST)) was assessed in competition...


US Patent US10590132 (2020)

More data for this
Ligand-Target Pair
Estrogen receptor(ER) (aa 307-554)


(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
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.960n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
ERα: The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha-LBD (GST)) was assessed in competition...


US Patent US10590132 (2020)

More data for this
Ligand-Target Pair
Estrogen receptor(ER) (aa 307-554)


(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
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
ERα: The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha-LBD (GST)) was assessed in competition...


US Patent US10590132 (2020)

More data for this
Ligand-Target Pair
Estrogen receptor(ER) (aa 307-554)


(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
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
ERα: The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha-LBD (GST)) was assessed in competition...


US Patent US10590132 (2020)

More data for this
Ligand-Target Pair
Estrogen receptor(ER) (aa 307-554)


(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
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
ERα: The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha-LBD (GST)) was assessed in competition...


US Patent US10590132 (2020)

More data for this
Ligand-Target Pair
Estrogen receptor(ER) (aa 307-554)


(Homo sapiens (Human))
BDBM361516
PNG
(N-(2-((3,5- difluoro-4- ((1R,3R)-2-((1- fluorocycl...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)CC1)c1c(F)cnc(OCCNCCCF)c1F
PDB

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AstraZeneca AB

US Patent


Assay Description
ERα: The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha-LBD (GST)) was assessed in competition...


US Patent US10590132 (2020)

More data for this
Ligand-Target Pair
Estrogen receptor(ER) (aa 307-554)


(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
PDB

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AstraZeneca AB

US Patent


Assay Description
ERα: The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha-LBD (GST)) was assessed in competition...


US Patent US10590132 (2020)

More data for this
Ligand-Target Pair
Estrogen receptor(ER) (aa 307-554)


(Homo sapiens (Human))
BDBM361458
PNG
(2,2-difIuoro-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
PDB

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AstraZeneca AB

US Patent


Assay Description
ERα: The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha-LBD (GST)) was assessed in competition...


US Patent US10590132 (2020)

More data for this
Ligand-Target Pair
Estrogen receptor(ER) (aa 307-554)


(Homo sapiens (Human))
BDBM361523
PNG
(2,2-difluoro-3- ((1S,3R)-1-(6- (2-((3- fluoropropy...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1ncnc(OCCNCCCF)c1C
PDB

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AstraZeneca AB

US Patent


Assay Description
ERα: The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha-LBD (GST)) was assessed in competition...


US Patent US10590132 (2020)

More data for this
Ligand-Target Pair
Estrogen receptor(ER) (aa 307-554)


(Homo sapiens (Human))
BDBM361428
PNG
(3-fluoro-N-(2- (2-methyl-3- ((1R,3R)-3- methyl-2- ...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1cccc(OCCNCCCF)c1C
PDB

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AstraZeneca AB

US Patent


Assay Description
ERα: The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha-LBD (GST)) was assessed in competition...


US Patent US10590132 (2020)

More data for this
Ligand-Target Pair
Estrogen receptor(ER) (aa 307-554)


(Homo sapiens (Human))
BDBM361471
PNG
(3-((1R,3R)-1- (2,6-difluoro- 3-(2-((3- fluoropropy...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccc(C)cc23)[C@H](N1CC(F)(F)CO)c1c(F)ccc(OCCNCCCF)c1F
PDB

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AstraZeneca AB

US Patent


Assay Description
ERα: The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha-LBD (GST)) was assessed in competition...


US Patent US10590132 (2020)

More data for this
Ligand-Target Pair
Estrogen receptor(ER) (aa 307-554)


(Homo sapiens (Human))
BDBM361553
PNG
((S)-3-((1R,3R)-1-(5-fluoro-2-(2-((3-fluoropropyl)(...)
Show SMILES C[C@@H](CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)cnc(OCCN(C)CCCF)c1C)C(O)=O
PDB

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AstraZeneca AB

US Patent


Assay Description
ERα: The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha-LBD (GST)) was assessed in competition...


US Patent US10590132 (2020)

More data for this
Ligand-Target Pair
Estrogen receptor(ER) (aa 307-554)


(Homo sapiens (Human))
BDBM361556
PNG
((S)-3-((1R,3R)- 1-(2- (difluoromethyl)- 6-fluoro-3...)
Show SMILES C[C@@H](CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)ccc(OCCN(C)CCCF)c1C(F)F)C(O)=O
PDB

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AstraZeneca AB

US Patent


Assay Description
ERα: The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha-LBD (GST)) was assessed in competition...


US Patent US10590132 (2020)

More data for this
Ligand-Target Pair
Estrogen receptor(ER) (aa 307-554)


(Homo sapiens (Human))
BDBM361554
PNG
((S)-3-((1R,3R)- 6-fluoro-1-(6- fluoro-3-(2- ((3- f...)
Show SMILES C[C@@H](CN1[C@H](C)Cc2c([nH]c3ccc(F)cc23)[C@H]1c1c(F)ccc(OCCN(C)CCCF)c1C)C(O)=O
PDB

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AstraZeneca AB

US Patent


Assay Description
ERα: The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha-LBD (GST)) was assessed in competition...


US Patent US10590132 (2020)

More data for this
Ligand-Target Pair
Estrogen receptor(ER) (aa 307-554)


(Homo sapiens (Human))
BDBM361564
PNG
(Preparation of 3-((1R,3R)-6-fluoro-1-(5-fluoro-2-(...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccc(F)cc23)[C@H](N1CCC(O)=O)c1c(F)cnc(OCCN(C)CCCF)c1C
PDB

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AstraZeneca AB

US Patent


Assay Description
ERα: The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha-LBD (GST)) was assessed in competition...


US Patent US10590132 (2020)

More data for this
Ligand-Target Pair
Estrogen receptor(ER) (aa 307-554)


(Homo sapiens (Human))
BDBM361534
PNG
((S)-3-((1R,3R)-1-(5-fluoro-2-(2-((3-fluoropropyl)a...)
Show SMILES C[C@@H](CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)cnc(OCCNCCCF)c1C)C(O)=O
PDB

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AstraZeneca AB

US Patent


Assay Description
ERα: The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha-LBD (GST)) was assessed in competition...


US Patent US10590132 (2020)

More data for this
Ligand-Target Pair
Estrogen receptor(ER) (aa 307-554)


(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
PDB

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AstraZeneca AB

US Patent


Assay Description
ERα: The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha-LBD (GST)) was assessed in competition...


US Patent US10590132 (2020)

More data for this
Ligand-Target Pair
Estrogen receptor(ER) (aa 307-554)


(Homo sapiens (Human))
BDBM361526
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)C(O)=O)c1c(F)ccc(OCCNCCCF)c1C
PDB

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AstraZeneca AB

US Patent


Assay Description
ERα: The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha-LBD (GST)) was assessed in competition...


US Patent US10590132 (2020)

More data for this
Ligand-Target Pair
Estrogen receptor(ER) (aa 307-554)


(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
PDB

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AstraZeneca AB

US Patent


Assay Description
ERα: The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha-LBD (GST)) was assessed in competition...


US Patent US10590132 (2020)

More data for this
Ligand-Target Pair
Estrogen receptor(ER) (aa 307-554)


(Homo sapiens (Human))
BDBM361517
PNG
(N-(2-((3,5- difluoro-4- ((1R,3R)-6- fluoro-2-((1- ...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccc(F)cc23)[C@H](N1CC1(F)CC1)c1c(F)cnc(OCCNCCCF)c1F
PDB

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AstraZeneca AB

US Patent


Assay Description
ERα: The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha-LBD (GST)) was assessed in competition...


US Patent US10590132 (2020)

More data for this
Ligand-Target Pair
Estrogen receptor(ER) (aa 307-554)


(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
PDB

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AstraZeneca AB

US Patent


Assay Description
ERα: The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha-LBD (GST)) was assessed in competition...


US Patent US10590132 (2020)

More data for this
Ligand-Target Pair
Estrogen receptor(ER) (aa 307-554)


(Homo sapiens (Human))
BDBM361562
PNG
(N-(2-(2,4- difluoro-3- ((1R,3R)-2-((3- fluorooxeta...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)COC1)c1c(F)ccc(OCCN(C)CCCF)c1F
PDB

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AstraZeneca AB

US Patent


Assay Description
ERα: The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha-LBD (GST)) was assessed in competition...


US Patent US10590132 (2020)

More data for this
Ligand-Target Pair
Estrogen receptor(ER) (aa 307-554)


(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
PDB

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AstraZeneca AB

US Patent


Assay Description
ERα: The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha-LBD (GST)) was assessed in competition...


US Patent US10590132 (2020)

More data for this
Ligand-Target Pair
Estrogen receptor(ER) (aa 307-554)


(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
PDB

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AstraZeneca AB

US Patent


Assay Description
ERα: The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha-LBD (GST)) was assessed in competition...


US Patent US10590132 (2020)

More data for this
Ligand-Target Pair
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