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PubMed code 28287723

Compile data set for download or QSAR
Found 73 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
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM342904
PNG
(1-(2-fluoro-5-methoxy-3'-(trifluoromethyl)-4-biphe...)
Show SMILES COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(c1)C(F)(F)F
PDB

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n/an/a 17n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL




J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM154311
PNG
(US9012443, 331)
Show SMILES COc1cc(c(Cl)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ncns1)-c1cccc(F)c1
Show InChI InChI=1S/C24H16ClFN4O3S2/c1-33-22-12-19(14-3-2-4-16(26)9-14)21(25)11-20(22)23-18-6-5-17(10-15(18)7-8-27-23)35(31,32)30-24-28-13-29-34-24/h2-13H,1H3,(H,28,29,30)
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n/an/a 23n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL




J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM342941
PNG
(1-(2-cyano-5-methoxy-3'-(trifluoromethyl)-4-biphen...)
Show SMILES COc1cc(-c2cccc(c2)C(F)(F)F)c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)C#N
PDB

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n/an/a 28n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of amyloid-beta production in Chinese hamster ovary (CHO) cells expressing human amyloid precursor protein (APP)


J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM343208
PNG
(3-amino-4-(2-chloro-3'-fluoro-5-methoxy-4-biphenyl...)
Show SMILES COc1cc(c(Cl)cc1-c1c(N)nnc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(F)c1 |(.67,1.54,;-.67,.77,;-.67,-.77,;.67,-1.54,;.67,-3.08,;-.67,-3.85,;-.67,-5.39,;-2,-3.08,;-2,-1.54,;-3.33,-.77,;-4.67,-1.54,;-4.67,-3.08,;-6,-.77,;-6,.77,;-4.67,1.54,;-4.67,3.08,;-3.33,3.85,;-2,3.08,;-2,1.54,;-3.33,.77,;-3.33,5.39,;-4.67,6.16,;-4.67,4.62,;-2,6.16,;-.67,5.39,;.8,5.87,;1.7,4.62,;.8,3.37,;-.67,3.85,;2,-3.85,;2,-5.39,;3.33,-6.16,;4.67,-5.39,;4.67,-3.85,;6,-3.08,;3.33,-3.08,)|
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n/an/a 28n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of amyloid-beta production in Chinese hamster ovary (CHO) cells expressing human amyloid precursor protein (APP)


J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM342904
PNG
(1-(2-fluoro-5-methoxy-3'-(trifluoromethyl)-4-biphe...)
Show SMILES COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(c1)C(F)(F)F
PDB

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n/an/a 36n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL




J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Mus musculus)
BDBM342904
PNG
(1-(2-fluoro-5-methoxy-3'-(trifluoromethyl)-4-biphe...)
Show SMILES COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(c1)C(F)(F)F
PDB

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n/an/a 36n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL




J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM342905
PNG
(1-(3'-chloro-2-fluoro-5-methoxy-4-biphenylyl)-N-3-...)
Show SMILES COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(Cl)c1
PDB

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n/an/a 37n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards rat forebrain nicotinic acetylcholine receptor using [3H]EB as radioligand


J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM343042
PNG
(4-(2-chloro-3'-fluoro-5-methoxy-4-biphenylyl)-N-3-...)
Show SMILES COc1cc(c(Cl)cc1-c1ncnc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(F)c1
PDB

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n/an/a 37n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL




J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM343163
PNG
(4-(2-chloro-3'-fluoro-5-methoxy-4-biphenylyl)-N-3-...)
Show SMILES COc1cc(c(Cl)cc1-c1c2ccc(cc2cn(C)c1=O)S(=O)(=O)Nc1ccon1)-c1cccc(F)c1 |(-.11,-.1,;1.22,-.87,;2.55,-.1,;2.55,1.44,;3.89,2.21,;5.22,1.44,;6.55,2.21,;5.22,-.1,;3.89,-.87,;3.89,-2.41,;2.55,-3.18,;1.22,-2.41,;-.11,-3.18,;-.11,-4.72,;1.22,-5.49,;2.55,-4.72,;3.89,-5.49,;5.22,-4.72,;6.55,-5.49,;5.22,-3.18,;6.55,-2.41,;-1.45,-5.49,;-2.22,-4.16,;-.68,-6.83,;-2.78,-6.26,;-4.12,-5.49,;-5.52,-6.12,;-6.55,-4.98,;-5.78,-3.64,;-4.28,-3.96,;3.89,3.75,;5.22,4.52,;5.22,6.06,;3.89,6.83,;2.55,6.06,;1.22,6.83,;2.55,4.52,)|
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n/an/a 39n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL




J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM342882
PNG
(N-3-isoxazolyl-1-(2,3',5'-trifluoro-5-methoxy-4-bi...)
Show SMILES COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cc(F)cc(F)c1
PDB

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n/an/a 40n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of amyloid-beta production in Chinese hamster ovary (CHO) cells expressing human amyloid precursor protein (APP)


J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM343157
PNG
(1-(2-chloro-3'-fluoro-5-methoxy-4-biphenylyl)-N-3-...)
Show SMILES COc1cc(c(Cl)cc1-c1[nH]c(=O)cc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(F)c1
PDB

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n/an/a 41n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL




J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM342911
PNG
(1-(2-chloro-3'-fluoro-5-methoxy-4-biphenylyl)-N-1,...)
Show SMILES COc1cc(c(Cl)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ncon1)-c1cccc(F)c1
PDB

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n/an/a 47n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL




J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM50237912
PNG
(CHEMBL4071034)
Show SMILES COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(C)c1
PDB

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n/an/a 47n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of amyloid-beta production in Chinese hamster ovary (CHO) cells expressing human amyloid precursor protein (APP)


J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM154315
PNG
(US9012443, 335)
Show SMILES COc1cc(c(Cl)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(F)c1
Show InChI InChI=1S/C25H17ClFN3O4S/c1-33-23-14-20(15-3-2-4-17(27)11-15)22(26)13-21(23)25-19-6-5-18(12-16(19)7-9-28-25)35(31,32)30-24-8-10-34-29-24/h2-14H,1H3,(H,29,30)
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n/an/a 49n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL




J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM342874
PNG
(1-(4'-chloro-2-fluoro-5-methoxy-3'-methyl-4-biphen...)
Show SMILES COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1ccc(Cl)c(C)c1
PDB

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n/an/a 60n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL




J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM342894
PNG
(N-3-isoxazolyl-1-(3-methoxy-3'-(trifluoromethyl)-4...)
Show SMILES COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(c1)C(F)(F)F
PDB

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n/an/a 61n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL




J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM154313
PNG
(US9012443, 333)
Show SMILES COc1cc(c(Cl)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)-c1cccc(F)c1
Show InChI InChI=1S/C26H18ClFN4O3S/c1-35-24-14-21(16-3-2-4-18(28)11-16)23(27)13-22(24)26-20-6-5-19(12-17(20)7-10-30-26)36(33,34)32-25-8-9-29-15-31-25/h2-15H,1H3,(H,29,31,32)
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n/an/a 65n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of amyloid-beta production in Chinese hamster ovary (CHO) cells expressing human amyloid precursor protein (APP)


J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM342877
PNG
(1-(5-fluoro-4-(5-fluoro-2-methoxy-3-pyridinyl)-2-m...)
Show SMILES COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cc(F)cnc1OC
PDB

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n/an/a 68n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL




J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM343035
PNG
(1-(2-chloro-3'-fluoro-5-methoxy-4-biphenylyl)-4-hy...)
Show SMILES COc1cc(c(Cl)cc1-c1ncc(O)c2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(F)c1
PDB

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n/an/a 85n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL




J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM342895
PNG
(1-(2-chloro-3'-fluoro-5-methoxy-4-biphenylyl)-N-2-...)
Show SMILES COc1cc(c(Cl)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ncccn1)-c1cccc(F)c1
PDB

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n/an/a 120n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of amyloid-beta production in Chinese hamster ovary (CHO) cells expressing human amyloid precursor protein (APP)


J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM343027
PNG
(1-(2-chloro-3'-fluoro-5-methoxy-4-biphenylyl)-N-3-...)
Show SMILES COc1cc(c(Cl)cc1-c1nn(C)c(=O)c2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(F)c1
PDB

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n/an/a 120n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of amyloid-beta production in Chinese hamster ovary (CHO) cells expressing human amyloid precursor protein (APP)


J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM342909
PNG
(1-(2-chloro-3'-fluoro-5-methoxy-4-biphenylyl)-N-3-...)
Show SMILES COc1cc(c(Cl)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1cccnn1)-c1cccc(F)c1
PDB

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n/an/a 140n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL




J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM343208
PNG
(3-amino-4-(2-chloro-3'-fluoro-5-methoxy-4-biphenyl...)
Show SMILES COc1cc(c(Cl)cc1-c1c(N)nnc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(F)c1 |(.67,1.54,;-.67,.77,;-.67,-.77,;.67,-1.54,;.67,-3.08,;-.67,-3.85,;-.67,-5.39,;-2,-3.08,;-2,-1.54,;-3.33,-.77,;-4.67,-1.54,;-4.67,-3.08,;-6,-.77,;-6,.77,;-4.67,1.54,;-4.67,3.08,;-3.33,3.85,;-2,3.08,;-2,1.54,;-3.33,.77,;-3.33,5.39,;-4.67,6.16,;-4.67,4.62,;-2,6.16,;-.67,5.39,;.8,5.87,;1.7,4.62,;.8,3.37,;-.67,3.85,;2,-3.85,;2,-5.39,;3.33,-6.16,;4.67,-5.39,;4.67,-3.85,;6,-3.08,;3.33,-3.08,)|
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n/an/a 140n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL




J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM154323
PNG
(US9012443, 343)
Show SMILES COc1cc(-c2cc(F)cc(F)c2)c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)C#N
Show InChI InChI=1S/C26H16F2N4O4S/c1-35-24-13-22(16-8-18(27)12-19(28)9-16)17(14-29)11-23(24)26-21-3-2-20(10-15(21)4-6-30-26)37(33,34)32-25-5-7-36-31-25/h2-13H,1H3,(H,31,32)
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n/an/a 140n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of amyloid-beta production in Chinese hamster ovary (CHO) cells expressing human amyloid precursor protein (APP)


J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM154190
PNG
(US9012443, 199)
Show SMILES COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)-c1cccc(F)c1
Show InChI InChI=1S/C26H19FN4O3S/c1-34-24-15-18(17-3-2-4-20(27)13-17)5-7-23(24)26-22-8-6-21(14-19(22)9-12-29-26)35(32,33)31-25-10-11-28-16-30-25/h2-16H,1H3,(H,28,30,31)
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n/an/a 150n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL




J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM154245
PNG
(US9012443, 261)
Show SMILES COc1cc(ccc1-c1ncnc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F
Show InChI InChI=1S/C19H13F3N4O3S2/c1-29-16-8-11(19(20,21)22)2-4-14(16)17-13-5-3-12(9-15(13)24-10-25-17)31(27,28)26-18-23-6-7-30-18/h2-10H,1H3,(H,23,26)
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n/an/a 160n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL




J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM342932
PNG
(1-(3',5'-difluoro-3-methoxy-4-biphenylyl)-N-3-isox...)
Show SMILES COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cc(F)cc(F)c1
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n/an/a 170n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL




J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM343082
PNG
(1-(2-chloro-3'-fluoro-5-methoxy-4-biphenylyl)-N-1,...)
Show SMILES COc1cc(c(Cl)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ncco1)-c1cccc(F)c1
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n/an/a 220n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL




J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM343152
PNG
(1-(2-fluoro-5-methoxy-4'-(trifluoromethyl)-4-biphe...)
Show SMILES COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1ccc(cc1)C(F)(F)F
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n/an/a 240n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL




J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM342904
PNG
(1-(2-fluoro-5-methoxy-3'-(trifluoromethyl)-4-biphe...)
Show SMILES COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(c1)C(F)(F)F
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n/an/a 430n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL




J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM154486
PNG
(US9012443, 67)
Show SMILES COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F
Show InChI InChI=1S/C21H15F3N4O3S/c1-31-18-11-14(21(22,23)24)2-4-17(18)20-16-5-3-15(10-13(16)6-9-26-20)32(29,30)28-19-7-8-25-12-27-19/h2-12H,1H3,(H,25,27,28)
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n/an/a 730n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of amyloid-beta production in Chinese hamster ovary (CHO) cells expressing human amyloid precursor protein (APP)


J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM343157
PNG
(1-(2-chloro-3'-fluoro-5-methoxy-4-biphenylyl)-N-3-...)
Show SMILES COc1cc(c(Cl)cc1-c1[nH]c(=O)cc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(F)c1
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n/an/a 820n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards rat forebrain nicotinic acetylcholine receptor using [3H]EB as radioligand


J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM154190
PNG
(US9012443, 199)
Show SMILES COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)-c1cccc(F)c1
Show InChI InChI=1S/C26H19FN4O3S/c1-34-24-15-18(17-3-2-4-20(27)13-17)5-7-23(24)26-22-8-6-21(14-19(22)9-12-29-26)35(32,33)31-25-10-11-28-16-30-25/h2-16H,1H3,(H,28,30,31)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of amyloid-beta production in Chinese hamster ovary (CHO) cells expressing human amyloid precursor protein (APP)


J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM154311
PNG
(US9012443, 331)
Show SMILES COc1cc(c(Cl)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ncns1)-c1cccc(F)c1
Show InChI InChI=1S/C24H16ClFN4O3S2/c1-33-22-12-19(14-3-2-4-16(26)9-14)21(25)11-20(22)23-18-6-5-17(10-15(18)7-8-27-23)35(31,32)30-24-28-13-29-34-24/h2-13H,1H3,(H,28,29,30)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of amyloid-beta production in Chinese hamster ovary (CHO) cells expressing human amyloid precursor protein (APP)


J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Sodium channel protein type IX alpha subunit


(Rattus norvegicus)
BDBM342904
PNG
(1-(2-fluoro-5-methoxy-3'-(trifluoromethyl)-4-biphe...)
Show SMILES COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(c1)C(F)(F)F
PDB
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n/an/a 4.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards rat forebrain nicotinic acetylcholine receptor using [3H]EB as radioligand


J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM342904
PNG
(1-(2-fluoro-5-methoxy-3'-(trifluoromethyl)-4-biphe...)
Show SMILES COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(c1)C(F)(F)F
PDB

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n/an/a 4.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of amyloid-beta production in Chinese hamster ovary (CHO) cells expressing human amyloid precursor protein (APP)


J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Sodium channel alpha subunits; brain (Types I, II, III)


(Homo sapiens (Human))
BDBM342904
PNG
(1-(2-fluoro-5-methoxy-3'-(trifluoromethyl)-4-biphe...)
Show SMILES COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(c1)C(F)(F)F
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n/an/a 6.90E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL




J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM154486
PNG
(US9012443, 67)
Show SMILES COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F
Show InChI InChI=1S/C21H15F3N4O3S/c1-31-18-11-14(21(22,23)24)2-4-17(18)20-16-5-3-15(10-13(16)6-9-26-20)32(29,30)28-19-7-8-25-12-27-19/h2-12H,1H3,(H,25,27,28)
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n/an/a 7.20E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL




J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM342895
PNG
(1-(2-chloro-3'-fluoro-5-methoxy-4-biphenylyl)-N-2-...)
Show SMILES COc1cc(c(Cl)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ncccn1)-c1cccc(F)c1
PDB

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



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of amyloid-beta production in Chinese hamster ovary (CHO) cells expressing human amyloid precursor protein (APP)


J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM343027
PNG
(1-(2-chloro-3'-fluoro-5-methoxy-4-biphenylyl)-N-3-...)
Show SMILES COc1cc(c(Cl)cc1-c1nn(C)c(=O)c2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(F)c1
PDB

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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of amyloid-beta production in Chinese hamster ovary (CHO) cells expressing human amyloid precursor protein (APP)


J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM342905
PNG
(1-(3'-chloro-2-fluoro-5-methoxy-4-biphenylyl)-N-3-...)
Show SMILES COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(Cl)c1
PDB

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



Amgen Inc.

Curated by ChEMBL




J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM342874
PNG
(1-(4'-chloro-2-fluoro-5-methoxy-3'-methyl-4-biphen...)
Show SMILES COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1ccc(Cl)c(C)c1
PDB

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Amgen Inc.

Curated by ChEMBL




J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM343152
PNG
(1-(2-fluoro-5-methoxy-4'-(trifluoromethyl)-4-biphe...)
Show SMILES COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1ccc(cc1)C(F)(F)F
PDB

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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards rat forebrain nicotinic acetylcholine receptor using [3H]EB as radioligand


J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM154313
PNG
(US9012443, 333)
Show SMILES COc1cc(c(Cl)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)-c1cccc(F)c1
Show InChI InChI=1S/C26H18ClFN4O3S/c1-35-24-14-21(16-3-2-4-18(28)11-16)23(27)13-22(24)26-20-6-5-19(12-17(20)7-10-30-26)36(33,34)32-25-8-9-29-15-31-25/h2-15H,1H3,(H,29,31,32)
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Amgen Inc.

Curated by ChEMBL




J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM343042
PNG
(4-(2-chloro-3'-fluoro-5-methoxy-4-biphenylyl)-N-3-...)
Show SMILES COc1cc(c(Cl)cc1-c1ncnc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(F)c1
PDB

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Amgen Inc.

Curated by ChEMBL




J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM343163
PNG
(4-(2-chloro-3'-fluoro-5-methoxy-4-biphenylyl)-N-3-...)
Show SMILES COc1cc(c(Cl)cc1-c1c2ccc(cc2cn(C)c1=O)S(=O)(=O)Nc1ccon1)-c1cccc(F)c1 |(-.11,-.1,;1.22,-.87,;2.55,-.1,;2.55,1.44,;3.89,2.21,;5.22,1.44,;6.55,2.21,;5.22,-.1,;3.89,-.87,;3.89,-2.41,;2.55,-3.18,;1.22,-2.41,;-.11,-3.18,;-.11,-4.72,;1.22,-5.49,;2.55,-4.72,;3.89,-5.49,;5.22,-4.72,;6.55,-5.49,;5.22,-3.18,;6.55,-2.41,;-1.45,-5.49,;-2.22,-4.16,;-.68,-6.83,;-2.78,-6.26,;-4.12,-5.49,;-5.52,-6.12,;-6.55,-4.98,;-5.78,-3.64,;-4.28,-3.96,;3.89,3.75,;5.22,4.52,;5.22,6.06,;3.89,6.83,;2.55,6.06,;1.22,6.83,;2.55,4.52,)|
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards rat forebrain nicotinic acetylcholine receptor using [3H]EB as radioligand


J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM342882
PNG
(N-3-isoxazolyl-1-(2,3',5'-trifluoro-5-methoxy-4-bi...)
Show SMILES COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cc(F)cc(F)c1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of amyloid-beta production in Chinese hamster ovary (CHO) cells expressing human amyloid precursor protein (APP)


J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM342909
PNG
(1-(2-chloro-3'-fluoro-5-methoxy-4-biphenylyl)-N-3-...)
Show SMILES COc1cc(c(Cl)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1cccnn1)-c1cccc(F)c1
PDB

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Amgen Inc.

Curated by ChEMBL




J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM343035
PNG
(1-(2-chloro-3'-fluoro-5-methoxy-4-biphenylyl)-4-hy...)
Show SMILES COc1cc(c(Cl)cc1-c1ncc(O)c2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(F)c1
PDB

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Amgen Inc.

Curated by ChEMBL




J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50237912
PNG
(CHEMBL4071034)
Show SMILES COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(C)c1
PDB

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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of amyloid-beta production in Chinese hamster ovary (CHO) cells expressing human amyloid precursor protein (APP)


J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM342911
PNG
(1-(2-chloro-3'-fluoro-5-methoxy-4-biphenylyl)-N-1,...)
Show SMILES COc1cc(c(Cl)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ncon1)-c1cccc(F)c1
PDB

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Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human Glucocorticoid receptor (GR); Value ranges from 378-814 nM


J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM154315
PNG
(US9012443, 335)
Show SMILES COc1cc(c(Cl)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(F)c1
Show InChI InChI=1S/C25H17ClFN3O4S/c1-33-23-14-20(15-3-2-4-17(27)11-15)22(26)13-21(23)25-19-6-5-18(12-16(19)7-9-28-25)35(31,32)30-24-8-10-34-29-24/h2-14H,1H3,(H,29,30)
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Amgen Inc.

Curated by ChEMBL




J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM342904
PNG
(1-(2-fluoro-5-methoxy-3'-(trifluoromethyl)-4-biphe...)
Show SMILES COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(c1)C(F)(F)F
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of amyloid-beta production in Chinese hamster ovary (CHO) cells expressing human amyloid precursor protein (APP)


J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM343082
PNG
(1-(2-chloro-3'-fluoro-5-methoxy-4-biphenylyl)-N-1,...)
Show SMILES COc1cc(c(Cl)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ncco1)-c1cccc(F)c1
PDB

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Amgen Inc.

Curated by ChEMBL




J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM342877
PNG
(1-(5-fluoro-4-(5-fluoro-2-methoxy-3-pyridinyl)-2-m...)
Show SMILES COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cc(F)cnc1OC
PDB

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Amgen Inc.

Curated by ChEMBL




J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM342904
PNG
(1-(2-fluoro-5-methoxy-3'-(trifluoromethyl)-4-biphe...)
Show SMILES COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(c1)C(F)(F)F
PDB

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Amgen Inc.

Curated by ChEMBL




J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)


(Homo sapiens (Human))
BDBM342904
PNG
(1-(2-fluoro-5-methoxy-3'-(trifluoromethyl)-4-biphe...)
Show SMILES COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(c1)C(F)(F)F
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of amyloid-beta production in Chinese hamster ovary (CHO) cells expressing human amyloid precursor protein (APP)


J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM342904
PNG
(1-(2-fluoro-5-methoxy-3'-(trifluoromethyl)-4-biphe...)
Show SMILES COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(c1)C(F)(F)F
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Amgen Inc.

Curated by ChEMBL




J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM342904
PNG
(1-(2-fluoro-5-methoxy-3'-(trifluoromethyl)-4-biphe...)
Show SMILES COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(c1)C(F)(F)F
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of amyloid-beta production in Chinese hamster ovary (CHO) cells expressing human amyloid precursor protein (APP)


J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM342904
PNG
(1-(2-fluoro-5-methoxy-3'-(trifluoromethyl)-4-biphe...)
Show SMILES COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(c1)C(F)(F)F
PDB
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Amgen Inc.

Curated by ChEMBL




J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM342904
PNG
(1-(2-fluoro-5-methoxy-3'-(trifluoromethyl)-4-biphe...)
Show SMILES COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(c1)C(F)(F)F
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n/an/a 1.60E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL




J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Sodium channel alpha subunits; brain (Types I, II, III)


(Homo sapiens (Human))
BDBM342904
PNG
(1-(2-fluoro-5-methoxy-3'-(trifluoromethyl)-4-biphe...)
Show SMILES COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(c1)C(F)(F)F
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n/an/a 1.70E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL




J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM342895
PNG
(1-(2-chloro-3'-fluoro-5-methoxy-4-biphenylyl)-N-2-...)
Show SMILES COc1cc(c(Cl)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ncccn1)-c1cccc(F)c1
PDB
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Amgen Inc.

Curated by ChEMBL




J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM154313
PNG
(US9012443, 333)
Show SMILES COc1cc(c(Cl)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)-c1cccc(F)c1
Show InChI InChI=1S/C26H18ClFN4O3S/c1-35-24-14-21(16-3-2-4-18(28)11-16)23(27)13-22(24)26-20-6-5-19(12-17(20)7-10-30-26)36(33,34)32-25-8-9-29-15-31-25/h2-15H,1H3,(H,29,31,32)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards rat forebrain nicotinic acetylcholine receptor using [3H]EB as radioligand


J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM342909
PNG
(1-(2-chloro-3'-fluoro-5-methoxy-4-biphenylyl)-N-3-...)
Show SMILES COc1cc(c(Cl)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1cccnn1)-c1cccc(F)c1
PDB
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards rat forebrain nicotinic acetylcholine receptor using [3H]EB as radioligand


J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM154315
PNG
(US9012443, 335)
Show SMILES COc1cc(c(Cl)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(F)c1
Show InChI InChI=1S/C25H17ClFN3O4S/c1-33-23-14-20(15-3-2-4-17(27)11-15)22(26)13-21(23)25-19-6-5-18(12-16(19)7-9-28-25)35(31,32)30-24-8-10-34-29-24/h2-14H,1H3,(H,29,30)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards rat forebrain nicotinic acetylcholine receptor using [3H]EB as radioligand


J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM342911
PNG
(1-(2-chloro-3'-fluoro-5-methoxy-4-biphenylyl)-N-1,...)
Show SMILES COc1cc(c(Cl)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ncon1)-c1cccc(F)c1
PDB
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Amgen Inc.

Curated by ChEMBL




J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM154311
PNG
(US9012443, 331)
Show SMILES COc1cc(c(Cl)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ncns1)-c1cccc(F)c1
Show InChI InChI=1S/C24H16ClFN4O3S2/c1-33-22-12-19(14-3-2-4-16(26)9-14)21(25)11-20(22)23-18-6-5-17(10-15(18)7-8-27-23)35(31,32)30-24-28-13-29-34-24/h2-13H,1H3,(H,28,29,30)
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Amgen Inc.

Curated by ChEMBL




J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM343082
PNG
(1-(2-chloro-3'-fluoro-5-methoxy-4-biphenylyl)-N-1,...)
Show SMILES COc1cc(c(Cl)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ncco1)-c1cccc(F)c1
PDB
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards rat forebrain nicotinic acetylcholine receptor using [3H]EB as radioligand


J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM154486
PNG
(US9012443, 67)
Show SMILES COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F
Show InChI InChI=1S/C21H15F3N4O3S/c1-31-18-11-14(21(22,23)24)2-4-17(18)20-16-5-3-15(10-13(16)6-9-26-20)32(29,30)28-19-7-8-25-12-27-19/h2-12H,1H3,(H,25,27,28)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human Glucocorticoid receptor (GR); Value ranges from 17-21 nM


J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM154190
PNG
(US9012443, 199)
Show SMILES COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)-c1cccc(F)c1
Show InChI InChI=1S/C26H19FN4O3S/c1-34-24-15-18(17-3-2-4-20(27)13-17)5-7-23(24)26-22-8-6-21(14-19(22)9-12-29-26)35(32,33)31-25-10-11-28-16-30-25/h2-16H,1H3,(H,28,30,31)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of amyloid-beta production in Chinese hamster ovary (CHO) cells expressing human amyloid precursor protein (APP)


J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM154245
PNG
(US9012443, 261)
Show SMILES COc1cc(ccc1-c1ncnc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F
Show InChI InChI=1S/C19H13F3N4O3S2/c1-29-16-8-11(19(20,21)22)2-4-14(16)17-13-5-3-12(9-15(13)24-10-25-17)31(27,28)26-18-23-6-7-30-18/h2-10H,1H3,(H,23,26)
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL




J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM154245
PNG
(US9012443, 261)
Show SMILES COc1cc(ccc1-c1ncnc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F
Show InChI InChI=1S/C19H13F3N4O3S2/c1-29-16-8-11(19(20,21)22)2-4-14(16)17-13-5-3-12(9-15(13)24-10-25-17)31(27,28)26-18-23-6-7-30-18/h2-10H,1H3,(H,23,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL




J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%