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Patent code US10590130

Compile Data Set for Download or QSAR
Found 121 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
Melanin-concentrating hormone receptor 2/HERG


(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
PDB
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US Patent
n/an/a 0.690n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(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
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n/an/a 0.810n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM436275
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(OC2CN(CCCF)C2)cn1
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AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(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
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n/an/a 0.940n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(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
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AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM300981
PNG
(6-((6S,8R)-7- (2,2- difluoroethyl)- 8-methyl- 6,7,...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)F)c1ccc(NC2CN(CCCF)C2)c(F)n1
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n/an/a 1.20n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(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
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AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(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
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AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(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
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AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(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
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AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(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
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AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM300979
PNG
(N-(4-((6S,8R)- 7-(2,2- difluoroethyl)- 6,8-dimethy...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ccc1[C@@]1(C)N(CC(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21
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AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(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
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n/an/a 1.60n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM300964
PNG
(5-fluoro-N-(1-(3-fluoropropyl)azetidin-3-yl)-6-((6...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ncc(NC2CN(CCCF)C2)cc1F
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AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(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
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AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM300968
PNG
(N-(1-(3- fluoropropyl) azetidin-3-yl)- N-methyl-6-...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(cn1)N(C)C1CN(CCCF)C1
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AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(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
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AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(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
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AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(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
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AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(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
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AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM300992
PNG
(2,2-difluoro-3- ((6S,8R)-6-(5- ((1-(3- fluoropropy...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)CO)c1ccc(OC2CN(CCCF)C2)cn1
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AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(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
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AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(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
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AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM300945
PNG
(N-(4-((6S,8R)-7-(2-fluoro-3-methoxy-2-methylpropyl...)
Show SMILES COC[C@](C)(F)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(NC2CN(CCCF)C2)cc1OC
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AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(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
PDB
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AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(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
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n/an/a 2.60n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM300984
PNG
(5-((6S,8R)-7- (2,2- difluoroethyl)- 8-methyl- 6,7,...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)F)c1cnc(NC2CN(CCCF)C2)cn1
PDB
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n/an/a 2.70n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM300985
PNG
(6-((6S,8S)-7- (2,2- difluoroethyl)- 8- (difluorome...)
Show SMILES FCCCN1CC(C1)Nc1ccc(nc1)[C@H]1N(CC(F)F)[C@@H](Cc2c1ccc1[nH]ncc21)C(F)F
PDB
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n/an/a 2.80n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM300921
PNG
(6-((6S,8R)-7-(2,2-difluoro-3-methoxypropyl)-8-meth...)
Show SMILES COCC(F)(F)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(NC2CN(CCCF)C2)cn1
PDB
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n/an/a 2.80n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM301006
PNG
((S)-6-(8,8- dimethyl-7- (2,2,2- trifluoroethyl)- 6...)
Show SMILES CC1(C)Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)cn1
PDB
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n/an/a 2.90n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM301007
PNG
((S)-6-(7-(2,2- difluoroethyl)- 8,8-dimethyl- 6,7,8...)
Show SMILES CC1(C)Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)F)c1ccc(NC2CN(CCCF)C2)cn1
PDB
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n/an/a 3.40n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM300945
PNG
(N-(4-((6S,8R)-7-(2-fluoro-3-methoxy-2-methylpropyl...)
Show SMILES COC[C@](C)(F)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(NC2CN(CCCF)C2)cc1OC
PDB
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n/an/a 3.5n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM300980
PNG
(6-((6S,8R)-7- (2,2- difluoroethyl)- 8-methyl- 6,7,...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)F)c1ncc(NC2CN(CCCF)C2)cc1F
PDB
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n/an/a 3.60n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(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
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n/an/a 3.70n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM300976
PNG
(N-(1-(3- fluoropropyl) azetidin-3-yl)-5- ((6S,8R)-...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1cnc(NC2CN(CCCF)C2)cn1
PDB
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n/an/a 3.80n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM300959
PNG
(6-((6S,8R)-7-(2,2-difluoroethyl)-8-methyl-6,7,8,9-...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)F)c1ccc(NC2CN(CCCF)C2)cn1
PDB
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n/an/a 4.10n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM300977
PNG
(6-((6S,8R)-7- (2,2- difluoroethyl)- 8-methyl- 6,7,...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)F)c1ccc(cn1)N(C)C1CN(CCCF)C1
PDB
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n/an/a 4.10n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM300997
PNG
(6-((6S,8R)-7- (2-fluoro-2- methylpropyl)- 8-methyl...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(C)(C)F)c1ccc(NC2CN(CCCF)C2)cn1
PDB
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n/an/a 4.30n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM436274
PNG
(2,2-difluoro-3- ((6S,8R)-6-(4- ((1-(3- fluoropropy...)
Show SMILES COc1cc(OC2CN(CCCF)C2)ccc1[C@H]1N(CC(F)(F)CO)[C@H](C)Cc2c1ccc1[nH]ncc21
PDB
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n/an/a 4.70n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM300991
PNG
(6-((6S,8R)-7- ((1- fluorocyclo- propyl)methyl)-8- ...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC1(F)CC1)c1ccc(cn1)N(C)C1CN(CCCF)C1
PDB
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n/an/a 5n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM301001
PNG
(1-(3- fluoropropyl)- N-(4-((6S,8R)- 7-(2- fluoropr...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC(C)F)[C@H](C)Cc2c1ccc1[nH]ncc21
PDB
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n/an/a 5n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM300999
PNG
(6-((6S,8R)-7- (2- fluoropropyl)- 8-methyl- 6,7,8,9...)
Show SMILES CC(F)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(NC2CN(CCCF)C2)cn1
PDB
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n/an/a 5.30n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(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
PDB
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n/an/a 5.70n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(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
PDB
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n/an/a 5.70n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM300987
PNG
(N-(2-fluoro-4- ((6S,8R)-7-((1- fluorocyclo- propyl...)
Show SMILES COc1cc(NC2CN(CCCF)C2)c(F)cc1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1ccc1[nH]ncc21
PDB
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n/an/a 5.70n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM300998
PNG
(N-(4-((6S,8R)- 7-(2-fluoro-2- methylpropyl)- 8-met...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC(C)(C)F)[C@H](C)Cc2c1ccc1[nH]ncc21
PDB
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n/an/a 6.10n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM300999
PNG
(6-((6S,8R)-7- (2- fluoropropyl)- 8-methyl- 6,7,8,9...)
Show SMILES CC(F)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(NC2CN(CCCF)C2)cn1
PDB
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n/an/a 6.20n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM300924
PNG
(6-((6S,8R)-7-((1-fluorocyclopropyl)methyl)-8-methy...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC1(F)CC1)c1ccc(NC2CN(CCCF)C2)cn1
PDB
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n/an/a 6.5n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM300945
PNG
(N-(4-((6S,8R)-7-(2-fluoro-3-methoxy-2-methylpropyl...)
Show SMILES COC[C@](C)(F)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(NC2CN(CCCF)C2)cc1OC
PDB
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n/an/a 6.60n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM300960
PNG
((6S,8R)-7-(2,2-difluoroethyl)-6-(5-((1-(3-fluoropr...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)F)c1ccc(OC2CN(CCCF)C2)cn1
PDB
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n/an/a 6.70n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM300950
PNG
(2,2-difluoro-3-((6S,8R)-6-(5-((1-(3-fluoropropyl)a...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)CO)c1ccc(NC2CN(CCCF)C2)cn1
PDB
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n/an/a 6.90n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM300925
PNG
(N-(4-((6S,8R)-7-(2-fluoro-3-methoxy-2-methylpropyl...)
Show SMILES COCC(C)(F)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(NC2CN(CCCF)C2)cc1OC
PDB
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n/an/a 6.90n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM300971
PNG
(N-(1-(3- fluoropropyl) azetidin-3-yl)-5- methoxy-6...)
Show SMILES COc1cc(NC2CN(CCCF)C2)cnc1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21
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n/an/a 7.20n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM300993
PNG
(2,2-difluoro-3- ((6S,8R)-6-(3- fluoro-5-((1- (3- f...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)CO)c1ncc(OC2CN(CCCF)C2)cc1F
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n/an/a 7.20n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM300936
PNG
(N-(4-((6S,8R)-7-((3-(fluoromethyl)oxetan-3-yl)meth...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC2(CF)COC2)[C@H](C)Cc2c1ccc1[nH]ncc21
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n/an/a 8n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM300990
PNG
(N-(4-((6S,8R)- 7-((1- fluorocyclo- propyl)methyl)-...)
Show SMILES COc1cc(NC2CN(CCC(F)(F)F)C2)ccc1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1ccc1[nH]ncc21
PDB
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n/an/a 8.20n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM300989
PNG
(5-((6S,8R)-7- ((1- fluorocyclo- propyl)methyl)-8- ...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC1(F)CC1)c1cnc(NC2CN(CCCF)C2)cn1
PDB
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n/an/a 8.20n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM300931
PNG
((6S,8R)-7-((1-fluorocyclopropyl)methyl)-6-(4-((1-(...)
Show SMILES COc1cc(OC2CN(CCCF)C2)ccc1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1ccc1[nH]ncc21
PDB
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n/an/a 8.40n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM300930
PNG
(N-(4-((6S,8R)-7-((1-fluorocyclopropyl)methyl)-8-me...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1ccc1[nH]ncc21
PDB
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n/an/a 8.80n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM301003
PNG
(N-(1-(3- fluoropropyl) azetidin-3-yl)-6- ((6S,8R)...)
Show SMILES CC(C)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(NC2CN(CCCF)C2)cn1
PDB
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n/an/a 8.90n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM300945
PNG
(N-(4-((6S,8R)-7-(2-fluoro-3-methoxy-2-methylpropyl...)
Show SMILES COC[C@](C)(F)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(NC2CN(CCCF)C2)cc1OC
PDB
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n/an/a 9.5n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM300978
PNG
(6-((6S,8R)-7- (2,2- difluoroethyl)- 6,8-dimethyl- ...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@](C)(N1CC(F)F)c1ccc(NC2CN(CCCF)C2)cn1
PDB
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n/an/a 9.60n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM436237
PNG
(Preparation of of individual diastereoisomers of 3...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(C)(F)CO)c1c(F)cc(NC2CN(CCCF)C2)cc1F
PDB
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n/an/a 10n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(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
PDB
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n/an/a 11n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM300965
PNG
(2,2-Difluoro-3-((6S,8R)-6-(3-fluoro-5-((1-(3-fluor...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)CO)c1ncc(NC2CN(CCCF)C2)cc1F
PDB
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n/an/a 13n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM300954
PNG
(N-(3-ethoxy-4-((6S,8R)-7-((1-fluorocyclopropyl)met...)
Show SMILES CCOc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1ccc1[nH]ncc21
PDB
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n/an/a 15n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM301001
PNG
(1-(3- fluoropropyl)- N-(4-((6S,8R)- 7-(2- fluoropr...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC(C)F)[C@H](C)Cc2c1ccc1[nH]ncc21
PDB
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n/an/a 15n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM436237
PNG
(Preparation of of individual diastereoisomers of 3...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(C)(F)CO)c1c(F)cc(NC2CN(CCCF)C2)cc1F
PDB
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n/an/a 15n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(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
PDB
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n/an/a 20n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM300952
PNG
(5-fluoro-6-((6S,8R)-7-((1-fluorocyclopropyl)methyl...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC1(F)CC1)c1ncc(NC2CN(CCCF)C2)cc1F
PDB
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n/an/a 29n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM300997
PNG
(6-((6S,8R)-7- (2-fluoro-2- methylpropyl)- 8-methyl...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(C)(C)F)c1ccc(NC2CN(CCCF)C2)cn1
PDB
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n/an/a 73n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM300988
PNG
(5-((6S,8R)-7- ((1- fluorocyclo- propyl)methyl)-8- ...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC1(F)CC1)c1ccc(NC2CN(CCCF)C2)nc1
PDB
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n/an/a 160n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM300934
PNG
(5-((6S,8R)-7-((1-fluorocyclopropyl)methyl)-8-methy...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ncc1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1ccc1[nH]ncc21
PDB
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n/an/a 360n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

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


(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
PDB

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n/an/a 2.00E+3n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

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


(Homo sapiens (Human))
BDBM300979
PNG
(N-(4-((6S,8R)- 7-(2,2- difluoroethyl)- 6,8-dimethy...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ccc1[C@@]1(C)N(CC(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21
PDB

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n/an/a 4.20E+3n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

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


(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
PDB

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n/an/a 4.50E+3n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

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


(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
PDB

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n/an/a 5.30E+3n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

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


(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
PDB

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n/an/a 5.40E+3n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

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


(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
PDB

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n/an/a 6.50E+3n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

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


(Homo sapiens (Human))
BDBM300968
PNG
(N-(1-(3- fluoropropyl) azetidin-3-yl)- N-methyl-6-...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(cn1)N(C)C1CN(CCCF)C1
PDB

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n/an/a 7.70E+3n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

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


(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
PDB

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n/an/a 7.80E+3n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

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


(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
PDB

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n/an/a 7.90E+3n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

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


(Homo sapiens (Human))
BDBM300976
PNG
(N-(1-(3- fluoropropyl) azetidin-3-yl)-5- ((6S,8R)-...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1cnc(NC2CN(CCCF)C2)cn1
PDB

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n/an/a 7.90E+3n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

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


(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
PDB

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US Patent
n/an/a 8.20E+3n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

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


(Homo sapiens (Human))
BDBM300985
PNG
(6-((6S,8S)-7- (2,2- difluoroethyl)- 8- (difluorome...)
Show SMILES FCCCN1CC(C1)Nc1ccc(nc1)[C@H]1N(CC(F)F)[C@@H](Cc2c1ccc1[nH]ncc21)C(F)F
PDB

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n/an/a 9.10E+3n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

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


(Homo sapiens (Human))
BDBM300930
PNG
(N-(4-((6S,8R)-7-((1-fluorocyclopropyl)methyl)-8-me...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1ccc1[nH]ncc21
PDB

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n/an/a 9.10E+3n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

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


(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
PDB

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n/an/a 1.00E+4n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

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


(Homo sapiens (Human))
BDBM436274
PNG
(2,2-difluoro-3- ((6S,8R)-6-(4- ((1-(3- fluoropropy...)
Show SMILES COc1cc(OC2CN(CCCF)C2)ccc1[C@H]1N(CC(F)(F)CO)[C@H](C)Cc2c1ccc1[nH]ncc21
PDB

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n/an/a 1.10E+4n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

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


(Homo sapiens (Human))
BDBM301007
PNG
((S)-6-(7-(2,2- difluoroethyl)- 8,8-dimethyl- 6,7,8...)
Show SMILES CC1(C)Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)F)c1ccc(NC2CN(CCCF)C2)cn1
PDB

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n/an/a 1.20E+4n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

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


(Homo sapiens (Human))
BDBM300998
PNG
(N-(4-((6S,8R)- 7-(2-fluoro-2- methylpropyl)- 8-met...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC(C)(C)F)[C@H](C)Cc2c1ccc1[nH]ncc21
PDB

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n/an/a 1.30E+4n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

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


(Homo sapiens (Human))
BDBM300984
PNG
(5-((6S,8R)-7- (2,2- difluoroethyl)- 8-methyl- 6,7,...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)F)c1cnc(NC2CN(CCCF)C2)cn1
PDB

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n/an/a 1.30E+4n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

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


(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
PDB

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n/an/a 1.30E+4n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

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


(Homo sapiens (Human))
BDBM300997
PNG
(6-((6S,8R)-7- (2-fluoro-2- methylpropyl)- 8-methyl...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(C)(C)F)c1ccc(NC2CN(CCCF)C2)cn1
PDB

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n/an/a 1.30E+4n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

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


(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
PDB

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n/an/a 1.40E+4n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

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


(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
PDB

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n/an/a 1.40E+4n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

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


(Homo sapiens (Human))
BDBM301001
PNG
(1-(3- fluoropropyl)- N-(4-((6S,8R)- 7-(2- fluoropr...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC(C)F)[C@H](C)Cc2c1ccc1[nH]ncc21
PDB

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n/an/a 1.40E+4n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

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


(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
PDB

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n/an/a 1.40E+4n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

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


(Homo sapiens (Human))
BDBM300991
PNG
(6-((6S,8R)-7- ((1- fluorocyclo- propyl)methyl)-8- ...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC1(F)CC1)c1ccc(cn1)N(C)C1CN(CCCF)C1
PDB

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n/an/a 1.60E+4n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

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


(Homo sapiens (Human))
BDBM300925
PNG
(N-(4-((6S,8R)-7-(2-fluoro-3-methoxy-2-methylpropyl...)
Show SMILES COCC(C)(F)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(NC2CN(CCCF)C2)cc1OC
PDB

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n/an/a 1.70E+4n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

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


(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
PDB

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n/an/a 1.80E+4n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

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


(Homo sapiens (Human))
BDBM300971
PNG
(N-(1-(3- fluoropropyl) azetidin-3-yl)-5- methoxy-6...)
Show SMILES COc1cc(NC2CN(CCCF)C2)cnc1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21
PDB

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n/an/a 2.00E+4n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

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


(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
PDB

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US Patent
n/an/a 2.20E+4n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

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


(Homo sapiens (Human))
BDBM301003
PNG
(N-(1-(3- fluoropropyl) azetidin-3-yl)-6- ((6S,8R)...)
Show SMILES CC(C)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(NC2CN(CCCF)C2)cn1
PDB

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n/an/a 2.40E+4n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

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


(Homo sapiens (Human))
BDBM300997
PNG
(6-((6S,8R)-7- (2-fluoro-2- methylpropyl)- 8-methyl...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(C)(C)F)c1ccc(NC2CN(CCCF)C2)cn1
PDB

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n/an/a 2.40E+4n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

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


(Homo sapiens (Human))
BDBM300999
PNG
(6-((6S,8R)-7- (2- fluoropropyl)- 8-methyl- 6,7,8,9...)
Show SMILES CC(F)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(NC2CN(CCCF)C2)cn1
PDB

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n/an/a 2.60E+4n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

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


(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
PDB

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n/an/a 2.70E+4n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

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


(Homo sapiens (Human))
BDBM300959
PNG
(6-((6S,8R)-7-(2,2-difluoroethyl)-8-methyl-6,7,8,9-...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)F)c1ccc(NC2CN(CCCF)C2)cn1
PDB

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US Patent
n/an/a 2.80E+4n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

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


(Homo sapiens (Human))
BDBM300999
PNG
(6-((6S,8R)-7- (2- fluoropropyl)- 8-methyl- 6,7,8,9...)
Show SMILES CC(F)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(NC2CN(CCCF)C2)cn1
PDB

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n/an/a 3.10E+4n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

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


(Homo sapiens (Human))
BDBM300964
PNG
(5-fluoro-N-(1-(3-fluoropropyl)azetidin-3-yl)-6-((6...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ncc(NC2CN(CCCF)C2)cc1F
PDB

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n/an/a>3.30E+4n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

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


(Homo sapiens (Human))
BDBM300924
PNG
(6-((6S,8R)-7-((1-fluorocyclopropyl)methyl)-8-methy...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC1(F)CC1)c1ccc(NC2CN(CCCF)C2)cn1
PDB

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n/an/a>3.60E+4n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

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


(Homo sapiens (Human))
BDBM300952
PNG
(5-fluoro-6-((6S,8R)-7-((1-fluorocyclopropyl)methyl...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC1(F)CC1)c1ncc(NC2CN(CCCF)C2)cc1F
PDB

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US Patent
n/an/a>3.80E+4n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

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


(Homo sapiens (Human))
BDBM300980
PNG
(6-((6S,8R)-7- (2,2- difluoroethyl)- 8-methyl- 6,7,...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)F)c1ncc(NC2CN(CCCF)C2)cc1F
PDB

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UniChem
US Patent
n/an/a>4.00E+4n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

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


(Homo sapiens (Human))
BDBM300965
PNG
(2,2-Difluoro-3-((6S,8R)-6-(3-fluoro-5-((1-(3-fluor...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)CO)c1ncc(NC2CN(CCCF)C2)cc1F
PDB

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UniChem
US Patent
n/an/a>4.00E+4n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

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


(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
PDB

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UniChem
US Patent
n/an/a>4.00E+4n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

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


(Homo sapiens (Human))
BDBM301001
PNG
(1-(3- fluoropropyl)- N-(4-((6S,8R)- 7-(2- fluoropr...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC(C)F)[C@H](C)Cc2c1ccc1[nH]ncc21
PDB

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UniChem
US Patent
n/an/a>4.00E+4n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

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


(Homo sapiens (Human))
BDBM300992
PNG
(2,2-difluoro-3- ((6S,8R)-6-(5- ((1-(3- fluoropropy...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)CO)c1ccc(OC2CN(CCCF)C2)cn1
PDB

GoogleScholar
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UniChem
US Patent
n/an/a>4.00E+4n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

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


(Homo sapiens (Human))
BDBM436275
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(OC2CN(CCCF)C2)cn1
PDB

GoogleScholar
UniChem
US Patent
n/an/a>4.00E+4n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

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


(Homo sapiens (Human))
BDBM300989
PNG
(5-((6S,8R)-7- ((1- fluorocyclo- propyl)methyl)-8- ...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC1(F)CC1)c1cnc(NC2CN(CCCF)C2)cn1
PDB

GoogleScholar
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PC sid
UniChem
US Patent
n/an/a>4.00E+4n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

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


(Homo sapiens (Human))
BDBM300950
PNG
(2,2-difluoro-3-((6S,8R)-6-(5-((1-(3-fluoropropyl)a...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)CO)c1ccc(NC2CN(CCCF)C2)cn1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>4.00E+4n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

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


(Homo sapiens (Human))
BDBM300993
PNG
(2,2-difluoro-3- ((6S,8R)-6-(3- fluoro-5-((1- (3- f...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)CO)c1ncc(OC2CN(CCCF)C2)cc1F
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>4.00E+4n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

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


(Homo sapiens (Human))
BDBM300921
PNG
(6-((6S,8R)-7-(2,2-difluoro-3-methoxypropyl)-8-meth...)
Show SMILES COCC(F)(F)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(NC2CN(CCCF)C2)cn1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>4.00E+4n/an/an/an/an/an/a



AstraZeneca AB

US Patent


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


US Patent US10590130 (2020)

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