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Compile Data Set for Download or QSAR

Found 201 hits with Last Name = 'wilenkin' and Initial = 'b'   
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 protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50349984
PNG
(CHEMBL1813048)
Show SMILES CC(=O)Nc1cccc(Nc2ncnc(n2)N2CCC(CC2)OCc2ccc(OC(F)(F)F)cc2)c1C
Show InChI InChI=1S/C25H27F3N6O3/c1-16-21(31-17(2)35)4-3-5-22(16)32-23-29-15-30-24(33-23)34-12-10-19(11-13-34)36-14-18-6-8-20(9-7-18)37-25(26,27)28/h3-9,15,19H,10-14H2,1-2H3,(H,31,35)(H,29,30,32,33)
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35n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to inactivated human sodium channel Nav1.7 expressed in human HEK293 cells by patch-clamp electrophysiological assay


J Med Chem 54: 4427-45 (2011)


Article DOI: 10.1021/jm200018k
BindingDB Entry DOI: 10.7270/Q2N016W1
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50379402
PNG
(CHEMBL2012014)
Show SMILES Nc1ccnc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)c1
Show InChI InChI=1S/C17H14ClN3O/c18-12-1-5-15(6-2-12)22-16-7-3-14(4-8-16)21-17-11-13(19)9-10-20-17/h1-11H,(H3,19,20,21)
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50n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of dofetilide from human ERG


Bioorg Med Chem Lett 22: 2033-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.023
BindingDB Entry DOI: 10.7270/Q2S183H3
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50379423
PNG
(CHEMBL2012038)
Show SMILES Nc1ccnc(Nc2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)n1
Show InChI InChI=1S/C17H13F3N4O2/c18-17(19,20)26-14-7-5-13(6-8-14)25-12-3-1-11(2-4-12)23-16-22-10-9-15(21)24-16/h1-10H,(H3,21,22,23,24)
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100n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of dofetilide from human ERG


Bioorg Med Chem Lett 22: 2033-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.023
BindingDB Entry DOI: 10.7270/Q2S183H3
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50379401
PNG
(CHEMBL2011946)
Show SMILES Nc1cncc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)c1
Show InChI InChI=1S/C17H14ClN3O/c18-12-1-5-16(6-2-12)22-17-7-3-14(4-8-17)21-15-9-13(19)10-20-11-15/h1-11,21H,19H2
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160n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of dofetilide from human ERG


Bioorg Med Chem Lett 22: 2033-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.023
BindingDB Entry DOI: 10.7270/Q2S183H3
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50379398
PNG
(CHEMBL2011952)
Show SMILES Nc1nccc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)n1
Show InChI InChI=1S/C16H13ClN4O/c17-11-1-5-13(6-2-11)22-14-7-3-12(4-8-14)20-15-9-10-19-16(18)21-15/h1-10H,(H3,18,19,20,21)
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320n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of dofetilide from human ERG


Bioorg Med Chem Lett 22: 2033-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.023
BindingDB Entry DOI: 10.7270/Q2S183H3
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50349984
PNG
(CHEMBL1813048)
Show SMILES CC(=O)Nc1cccc(Nc2ncnc(n2)N2CCC(CC2)OCc2ccc(OC(F)(F)F)cc2)c1C
Show InChI InChI=1S/C25H27F3N6O3/c1-16-21(31-17(2)35)4-3-5-22(16)32-23-29-15-30-24(33-23)34-12-10-19(11-13-34)36-14-18-6-8-20(9-7-18)37-25(26,27)28/h3-9,15,19H,10-14H2,1-2H3,(H,31,35)(H,29,30,32,33)
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400n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(3-(4-(4-(Benzyloxy)piperidin-1-yl)-1,3,5-triazin-2-ylamino)-phenyl)acetamide from human Nav1.7 expressed in human HEK293 cells...


J Med Chem 54: 4427-45 (2011)


Article DOI: 10.1021/jm200018k
BindingDB Entry DOI: 10.7270/Q2N016W1
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50379396
PNG
(CHEMBL2011950)
Show SMILES Nc1ccnc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)n1
Show InChI InChI=1S/C16H13ClN4O/c17-11-1-5-13(6-2-11)22-14-7-3-12(4-8-14)20-16-19-10-9-15(18)21-16/h1-10H,(H3,18,19,20,21)
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430n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of dofetilide from human ERG


Bioorg Med Chem Lett 22: 2033-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.023
BindingDB Entry DOI: 10.7270/Q2S183H3
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50017659
PNG
(2-(Dimethylamino)ethyl p-(butylamino)benzoate | 2-...)
Show SMILES CCCCNc1ccc(cc1)C(=O)OCCN(C)C
Show InChI InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3
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500n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]BTX from human Nav1.7 expressed in human HEK293 cells after 1 hr by MicroBeta analyzer


J Med Chem 54: 4427-45 (2011)


Article DOI: 10.1021/jm200018k
BindingDB Entry DOI: 10.7270/Q2N016W1
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50379416
PNG
(CHEMBL2012030)
Show SMILES Nc1ccnc(Nc2ccc(Oc3ccc(cc3)C3CC3)cc2)n1
Show InChI InChI=1S/C19H18N4O/c20-18-11-12-21-19(23-18)22-15-5-9-17(10-6-15)24-16-7-3-14(4-8-16)13-1-2-13/h3-13H,1-2H2,(H3,20,21,22,23)
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500n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of dofetilide from human ERG


Bioorg Med Chem Lett 22: 2033-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.023
BindingDB Entry DOI: 10.7270/Q2S183H3
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50379410
PNG
(CHEMBL2012023)
Show SMILES CN(c1ccc(Cl)cc1)c1ccc(Nc2nccc(N)n2)cc1
Show InChI InChI=1S/C17H16ClN5/c1-23(14-6-2-12(18)3-7-14)15-8-4-13(5-9-15)21-17-20-11-10-16(19)22-17/h2-11H,1H3,(H3,19,20,21,22)
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800n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of dofetilide from human ERG


Bioorg Med Chem Lett 22: 2033-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.023
BindingDB Entry DOI: 10.7270/Q2S183H3
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50379391
PNG
(CHEMBL2012037)
Show SMILES Nc1ccnc(Nc2ccc(Oc3ccc(cc3)C(F)(F)F)cc2)n1
Show InChI InChI=1S/C17H13F3N4O/c18-17(19,20)11-1-5-13(6-2-11)25-14-7-3-12(4-8-14)23-16-22-10-9-15(21)24-16/h1-10H,(H3,21,22,23,24)
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900n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of dofetilide from human ERG


Bioorg Med Chem Lett 22: 2033-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.023
BindingDB Entry DOI: 10.7270/Q2S183H3
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50379425
PNG
(CHEMBL2012040)
Show SMILES Nc1cncc(Nc2ccc(Oc3ccc(F)cc3)cc2)n1
Show InChI InChI=1S/C16H13FN4O/c17-11-1-5-13(6-2-11)22-14-7-3-12(4-8-14)20-16-10-19-9-15(18)21-16/h1-10H,(H3,18,20,21)
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1.10E+3n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of dofetilide from human ERG


Bioorg Med Chem Lett 22: 2033-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.023
BindingDB Entry DOI: 10.7270/Q2S183H3
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50379415
PNG
(CHEMBL2012029)
Show SMILES Cc1ccc(Oc2ccc(Nc3nccc(N)n3)cc2)cc1
Show InChI InChI=1S/C17H16N4O/c1-12-2-6-14(7-3-12)22-15-8-4-13(5-9-15)20-17-19-11-10-16(18)21-17/h2-11H,1H3,(H3,18,19,20,21)
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1.10E+3n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of dofetilide from human ERG


Bioorg Med Chem Lett 22: 2033-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.023
BindingDB Entry DOI: 10.7270/Q2S183H3
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50379418
PNG
(CHEMBL2012032)
Show SMILES Nc1ccnc(Nc2ccc(Oc3ccc(cc3)C#N)cc2)n1
Show InChI InChI=1S/C17H13N5O/c18-11-12-1-5-14(6-2-12)23-15-7-3-13(4-8-15)21-17-20-10-9-16(19)22-17/h1-10H,(H3,19,20,21,22)
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1.20E+3n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of dofetilide from human ERG


Bioorg Med Chem Lett 22: 2033-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.023
BindingDB Entry DOI: 10.7270/Q2S183H3
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50379413
PNG
(CHEMBL2012027)
Show SMILES Nc1ccnc(Nc2ccc(Oc3ccccc3Cl)cc2)n1
Show InChI InChI=1S/C16H13ClN4O/c17-13-3-1-2-4-14(13)22-12-7-5-11(6-8-12)20-16-19-10-9-15(18)21-16/h1-10H,(H3,18,19,20,21)
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1.40E+3n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of dofetilide from human ERG


Bioorg Med Chem Lett 22: 2033-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.023
BindingDB Entry DOI: 10.7270/Q2S183H3
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50379414
PNG
(CHEMBL2012028)
Show SMILES Nc1ccnc(Nc2ccc(Oc3ccc(F)cc3)cc2)n1
Show InChI InChI=1S/C16H13FN4O/c17-11-1-5-13(6-2-11)22-14-7-3-12(4-8-14)20-16-19-10-9-15(18)21-16/h1-10H,(H3,18,19,20,21)
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1.90E+3n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of dofetilide from human ERG


Bioorg Med Chem Lett 22: 2033-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.023
BindingDB Entry DOI: 10.7270/Q2S183H3
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50379426
PNG
(CHEMBL2012041)
Show SMILES Cc1ccc(Oc2ccc(Nc3cncc(N)n3)cc2)cc1
Show InChI InChI=1S/C17H16N4O/c1-12-2-6-14(7-3-12)22-15-8-4-13(5-9-15)20-17-11-19-10-16(18)21-17/h2-11H,1H3,(H3,18,20,21)
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2.00E+3n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of dofetilide from human ERG


Bioorg Med Chem Lett 22: 2033-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.023
BindingDB Entry DOI: 10.7270/Q2S183H3
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50379393
PNG
(CHEMBL2011947)
Show SMILES Nc1ncnc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)n1
Show InChI InChI=1S/C15H12ClN5O/c16-10-1-5-12(6-2-10)22-13-7-3-11(4-8-13)20-15-19-9-18-14(17)21-15/h1-9H,(H3,17,18,19,20,21)
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2.30E+3n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of dofetilide from human ERG


Bioorg Med Chem Lett 22: 2033-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.023
BindingDB Entry DOI: 10.7270/Q2S183H3
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50379427
PNG
(CHEMBL2012044)
Show SMILES Nc1cncc(Nc2ccc(Oc3ccc(cc3)C(F)(F)F)cc2)n1
Show InChI InChI=1S/C17H13F3N4O/c18-17(19,20)11-1-5-13(6-2-11)25-14-7-3-12(4-8-14)23-16-10-22-9-15(21)24-16/h1-10H,(H3,21,23,24)
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2.80E+3n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of dofetilide from human ERG


Bioorg Med Chem Lett 22: 2033-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.023
BindingDB Entry DOI: 10.7270/Q2S183H3
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50379405
PNG
(CHEMBL2012017)
Show SMILES Nc1cncc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)n1
Show InChI InChI=1S/C16H13ClN4O/c17-11-1-5-13(6-2-11)22-14-7-3-12(4-8-14)20-16-10-19-9-15(18)21-16/h1-10H,(H3,18,20,21)
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2.90E+3n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of dofetilide from human ERG


Bioorg Med Chem Lett 22: 2033-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.023
BindingDB Entry DOI: 10.7270/Q2S183H3
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50349984
PNG
(CHEMBL1813048)
Show SMILES CC(=O)Nc1cccc(Nc2ncnc(n2)N2CCC(CC2)OCc2ccc(OC(F)(F)F)cc2)c1C
Show InChI InChI=1S/C25H27F3N6O3/c1-16-21(31-17(2)35)4-3-5-22(16)32-23-29-15-30-24(33-23)34-12-10-19(11-13-34)36-14-18-6-8-20(9-7-18)37-25(26,27)28/h3-9,15,19H,10-14H2,1-2H3,(H,31,35)(H,29,30,32,33)
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>1.00E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]BTX from human Nav1.7 expressed in human HEK293 cells after 1 hr by MicroBeta analyzer


J Med Chem 54: 4427-45 (2011)


Article DOI: 10.1021/jm200018k
BindingDB Entry DOI: 10.7270/Q2N016W1
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50017659
PNG
(2-(Dimethylamino)ethyl p-(butylamino)benzoate | 2-...)
Show SMILES CCCCNc1ccc(cc1)C(=O)OCCN(C)C
Show InChI InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3
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1.20E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(3-(4-(4-(Benzyloxy)piperidin-1-yl)-1,3,5-triazin-2-ylamino)-phenyl)acetamide from human Nav1.7 expressed in human HEK293 cells...


J Med Chem 54: 4427-45 (2011)


Article DOI: 10.1021/jm200018k
BindingDB Entry DOI: 10.7270/Q2N016W1
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50117271
PNG
(1-(2,6-dimethylphenoxy)-2-propanolamine | 1-(2,6-d...)
Show SMILES CC(N)COc1c(C)cccc1C
Show InChI InChI=1S/C11H17NO/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-6,10H,7,12H2,1-3H3
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1.30E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to inactivated human sodium channel Nav1.7 expressed in human HEK293 cells by patch-clamp electrophysiological assay


J Med Chem 54: 4427-45 (2011)


Article DOI: 10.1021/jm200018k
BindingDB Entry DOI: 10.7270/Q2N016W1
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50362580
PNG
(CHEMBL1938867)
Show SMILES Cn1c(SCc2ccc(cc2)C(C)(C)C)nc(N)cc1=O
Show InChI InChI=1S/C16H21N3OS/c1-16(2,3)12-7-5-11(6-8-12)10-21-15-18-13(17)9-14(20)19(15)4/h5-9H,10,17H2,1-4H3
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>1.50E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of dofetilide from human ERG


Bioorg Med Chem Lett 22: 1055-60 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.111
BindingDB Entry DOI: 10.7270/Q2CV4J7X
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50362567
PNG
(CHEMBL1313991)
Show SMILES CC(C)(C)c1ccc(CSc2nc(N)cc(=O)[nH]2)cc1
Show InChI InChI=1S/C15H19N3OS/c1-15(2,3)11-6-4-10(5-7-11)9-20-14-17-12(16)8-13(19)18-14/h4-8H,9H2,1-3H3,(H3,16,17,18,19)
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>1.50E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of dofetilide from human ERG


Bioorg Med Chem Lett 22: 1055-60 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.111
BindingDB Entry DOI: 10.7270/Q2CV4J7X
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50362558
PNG
(CHEMBL1425238)
Show SMILES CCCCCCCSc1nc(N)cc(=O)[nH]1
Show InChI InChI=1S/C11H19N3OS/c1-2-3-4-5-6-7-16-11-13-9(12)8-10(15)14-11/h8H,2-7H2,1H3,(H3,12,13,14,15)
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>1.50E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of dofetilide from human ERG


Bioorg Med Chem Lett 22: 1055-60 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.111
BindingDB Entry DOI: 10.7270/Q2CV4J7X
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50362580
PNG
(CHEMBL1938867)
Show SMILES Cn1c(SCc2ccc(cc2)C(C)(C)C)nc(N)cc1=O
Show InChI InChI=1S/C16H21N3OS/c1-16(2,3)12-7-5-11(6-8-12)10-21-15-18-13(17)9-14(20)19(15)4/h5-9H,10,17H2,1-4H3
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n/an/a 80n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at 20% inactivated human sodium channel Nav1.7 expressed in human HEK293 cells by manual patch-clamp electrophysiological assay


Bioorg Med Chem Lett 22: 1055-60 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.111
BindingDB Entry DOI: 10.7270/Q2CV4J7X
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50349984
PNG
(CHEMBL1813048)
Show SMILES CC(=O)Nc1cccc(Nc2ncnc(n2)N2CCC(CC2)OCc2ccc(OC(F)(F)F)cc2)c1C
Show InChI InChI=1S/C25H27F3N6O3/c1-16-21(31-17(2)35)4-3-5-22(16)32-23-29-15-30-24(33-23)34-12-10-19(11-13-34)36-14-18-6-8-20(9-7-18)37-25(26,27)28/h3-9,15,19H,10-14H2,1-2H3,(H,31,35)(H,29,30,32,33)
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n/an/a 170n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of 20% inactivated human sodium channel Nav1.7 expressed in human HEK293 cells by patch-clamp electrophysiological assay


J Med Chem 54: 4427-45 (2011)


Article DOI: 10.1021/jm200018k
BindingDB Entry DOI: 10.7270/Q2N016W1
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50379393
PNG
(CHEMBL2011947)
Show SMILES Nc1ncnc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)n1
Show InChI InChI=1S/C15H12ClN5O/c16-10-1-5-12(6-2-10)22-13-7-3-11(4-8-13)20-15-19-9-18-14(17)21-15/h1-9H,(H3,17,18,19,20,21)
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n/an/a 200n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human partially inactivated NaV 1.5 channel expressed in HEK293 cells by manual whole cell patch clamp assay


Bioorg Med Chem Lett 22: 2033-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.023
BindingDB Entry DOI: 10.7270/Q2S183H3
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50362580
PNG
(CHEMBL1938867)
Show SMILES Cn1c(SCc2ccc(cc2)C(C)(C)C)nc(N)cc1=O
Show InChI InChI=1S/C16H21N3OS/c1-16(2,3)12-7-5-11(6-8-12)10-21-15-18-13(17)9-14(20)19(15)4/h5-9H,10,17H2,1-4H3
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n/an/a 200n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at partially inactivated human sodium channel Nav1.5 expressed in human HEK293 cells by patch-clamp electrophysiological assay


Bioorg Med Chem Lett 22: 1055-60 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.111
BindingDB Entry DOI: 10.7270/Q2CV4J7X
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50379389
PNG
(CHEMBL2010816)
Show SMILES Nc1cncc(Nc2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)n1
Show InChI InChI=1S/C17H13F3N4O2/c18-17(19,20)26-14-7-5-13(6-8-14)25-12-3-1-11(2-4-12)23-16-10-22-9-15(21)24-16/h1-10H,(H3,21,23,24)
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n/an/a 240n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human partially inactivated NaV 1.7 channel expressed in HEK293 cells by PatchXpress voltage patch clamp assay


Bioorg Med Chem Lett 22: 2033-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.023
BindingDB Entry DOI: 10.7270/Q2S183H3
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50379423
PNG
(CHEMBL2012038)
Show SMILES Nc1ccnc(Nc2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)n1
Show InChI InChI=1S/C17H13F3N4O2/c18-17(19,20)26-14-7-5-13(6-8-14)25-12-3-1-11(2-4-12)23-16-22-10-9-15(21)24-16/h1-10H,(H3,21,22,23,24)
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n/an/a 240n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human partially inactivated NaV 1.5 channel expressed in HEK293 cells by PatchXpress voltage patch clamp assay


Bioorg Med Chem Lett 22: 2033-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.023
BindingDB Entry DOI: 10.7270/Q2S183H3
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50379427
PNG
(CHEMBL2012044)
Show SMILES Nc1cncc(Nc2ccc(Oc3ccc(cc3)C(F)(F)F)cc2)n1
Show InChI InChI=1S/C17H13F3N4O/c18-17(19,20)11-1-5-13(6-2-11)25-14-7-3-12(4-8-14)23-16-10-22-9-15(21)24-16/h1-10H,(H3,21,23,24)
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n/an/a 260n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human partially inactivated NaV 1.7 channel expressed in HEK293 cells by PatchXpress voltage patch clamp assay


Bioorg Med Chem Lett 22: 2033-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.023
BindingDB Entry DOI: 10.7270/Q2S183H3
More data for this
Ligand-Target Pair
Sodium channel protein type 3 subunit alpha


(Homo sapiens (Human))
BDBM50349984
PNG
(CHEMBL1813048)
Show SMILES CC(=O)Nc1cccc(Nc2ncnc(n2)N2CCC(CC2)OCc2ccc(OC(F)(F)F)cc2)c1C
Show InChI InChI=1S/C25H27F3N6O3/c1-16-21(31-17(2)35)4-3-5-22(16)32-23-29-15-30-24(33-23)34-12-10-19(11-13-34)36-14-18-6-8-20(9-7-18)37-25(26,27)28/h3-9,15,19H,10-14H2,1-2H3,(H,31,35)(H,29,30,32,33)
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n/an/a 300n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of 20% inactivated TTX-resistant human sodium channel Nav1.3 expressed in human HEK293 cells at 1 uM by patch-clamp electrophysiological a...


J Med Chem 54: 4427-45 (2011)


Article DOI: 10.1021/jm200018k
BindingDB Entry DOI: 10.7270/Q2N016W1
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50349988
PNG
(CHEMBL1813050)
Show SMILES CC(=O)Nc1cccc(Nc2ncnc(n2)N2CCC(CC2)Oc2ccc(OC(F)(F)F)cc2)c1C
Show InChI InChI=1S/C24H25F3N6O3/c1-15-20(30-16(2)34)4-3-5-21(15)31-22-28-14-29-23(32-22)33-12-10-18(11-13-33)35-17-6-8-19(9-7-17)36-24(25,26)27/h3-9,14,18H,10-13H2,1-2H3,(H,30,34)(H,28,29,31,32)
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n/an/a 300n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human cardiac sodium channel Nav1.5 expressed in human HEK293 cells by patch-clamp electrophysiological assay


J Med Chem 54: 4427-45 (2011)


Article DOI: 10.1021/jm200018k
BindingDB Entry DOI: 10.7270/Q2N016W1
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50349988
PNG
(CHEMBL1813050)
Show SMILES CC(=O)Nc1cccc(Nc2ncnc(n2)N2CCC(CC2)Oc2ccc(OC(F)(F)F)cc2)c1C
Show InChI InChI=1S/C24H25F3N6O3/c1-15-20(30-16(2)34)4-3-5-21(15)31-22-28-14-29-23(32-22)33-12-10-18(11-13-33)35-17-6-8-19(9-7-17)36-24(25,26)27/h3-9,14,18H,10-13H2,1-2H3,(H,30,34)(H,28,29,31,32)
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n/an/a 300n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human sodium channel Nav1.7 expressed in human HEK293 cells by patch-clamp electrophysiological assay


J Med Chem 54: 4427-45 (2011)


Article DOI: 10.1021/jm200018k
BindingDB Entry DOI: 10.7270/Q2N016W1
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50379393
PNG
(CHEMBL2011947)
Show SMILES Nc1ncnc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)n1
Show InChI InChI=1S/C15H12ClN5O/c16-10-1-5-12(6-2-10)22-13-7-3-11(4-8-13)20-15-19-9-18-14(17)21-15/h1-9H,(H3,17,18,19,20,21)
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n/an/a 300n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human partially inactivated NaV 1.7 channel expressed in HEK293 cells by manual whole cell patch clamp assay


Bioorg Med Chem Lett 22: 2033-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.023
BindingDB Entry DOI: 10.7270/Q2S183H3
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50362567
PNG
(CHEMBL1313991)
Show SMILES CC(C)(C)c1ccc(CSc2nc(N)cc(=O)[nH]2)cc1
Show InChI InChI=1S/C15H19N3OS/c1-15(2,3)11-6-4-10(5-7-11)9-20-14-17-12(16)8-13(19)18-14/h4-8H,9H2,1-3H3,(H3,16,17,18,19)
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n/an/a 300n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at partially inactivated human sodium channel Nav1.5 expressed in human HEK293 cells by patch-clamp electrophysiological assay


Bioorg Med Chem Lett 22: 1055-60 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.111
BindingDB Entry DOI: 10.7270/Q2CV4J7X
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50362567
PNG
(CHEMBL1313991)
Show SMILES CC(C)(C)c1ccc(CSc2nc(N)cc(=O)[nH]2)cc1
Show InChI InChI=1S/C15H19N3OS/c1-15(2,3)11-6-4-10(5-7-11)9-20-14-17-12(16)8-13(19)18-14/h4-8H,9H2,1-3H3,(H3,16,17,18,19)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at 20% inactivated human sodium channel Nav1.7 expressed in human HEK293 cells by manual patch-clamp electrophysiological assay


Bioorg Med Chem Lett 22: 1055-60 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.111
BindingDB Entry DOI: 10.7270/Q2CV4J7X
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50379413
PNG
(CHEMBL2012027)
Show SMILES Nc1ccnc(Nc2ccc(Oc3ccccc3Cl)cc2)n1
Show InChI InChI=1S/C16H13ClN4O/c17-13-3-1-2-4-14(13)22-12-7-5-11(6-8-12)20-16-19-10-9-15(18)21-16/h1-10H,(H3,18,19,20,21)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human partially inactivated NaV 1.5 channel expressed in HEK293 cells by PatchXpress voltage patch clamp assay


Bioorg Med Chem Lett 22: 2033-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.023
BindingDB Entry DOI: 10.7270/Q2S183H3
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50349987
PNG
(CHEMBL1813042)
Show SMILES CC(=O)Nc1cccc(Nc2ncnc(n2)N2CCC(CC2)OCc2ccc(cc2)C(F)(F)F)c1C
Show InChI InChI=1S/C25H27F3N6O2/c1-16-21(31-17(2)35)4-3-5-22(16)32-23-29-15-30-24(33-23)34-12-10-20(11-13-34)36-14-18-6-8-19(9-7-18)25(26,27)28/h3-9,15,20H,10-14H2,1-2H3,(H,31,35)(H,29,30,32,33)
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n/an/a 400n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human sodium channel Nav1.7 expressed in human HEK293 cells by patch-clamp electrophysiological assay


J Med Chem 54: 4427-45 (2011)


Article DOI: 10.1021/jm200018k
BindingDB Entry DOI: 10.7270/Q2N016W1
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM50349984
PNG
(CHEMBL1813048)
Show SMILES CC(=O)Nc1cccc(Nc2ncnc(n2)N2CCC(CC2)OCc2ccc(OC(F)(F)F)cc2)c1C
Show InChI InChI=1S/C25H27F3N6O3/c1-16-21(31-17(2)35)4-3-5-22(16)32-23-29-15-30-24(33-23)34-12-10-19(11-13-34)36-14-18-6-8-20(9-7-18)37-25(26,27)28/h3-9,15,19H,10-14H2,1-2H3,(H,31,35)(H,29,30,32,33)
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n/an/a 400n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of 20% inactivated TTX-resistant human sodium channel Nav1.4 expressed in human HEK293 cells at 1 uM by patch-clamp electrophysiological a...


J Med Chem 54: 4427-45 (2011)


Article DOI: 10.1021/jm200018k
BindingDB Entry DOI: 10.7270/Q2N016W1
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50362558
PNG
(CHEMBL1425238)
Show SMILES CCCCCCCSc1nc(N)cc(=O)[nH]1
Show InChI InChI=1S/C11H19N3OS/c1-2-3-4-5-6-7-16-11-13-9(12)8-10(15)14-11/h8H,2-7H2,1H3,(H3,12,13,14,15)
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n/an/a 400n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at 20% inactivated human sodium channel Nav1.7 expressed in human HEK293 cells by manual patch-clamp electrophysiological assay


Bioorg Med Chem Lett 22: 1055-60 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.111
BindingDB Entry DOI: 10.7270/Q2CV4J7X
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50379426
PNG
(CHEMBL2012041)
Show SMILES Cc1ccc(Oc2ccc(Nc3cncc(N)n3)cc2)cc1
Show InChI InChI=1S/C17H16N4O/c1-12-2-6-14(7-3-12)22-15-8-4-13(5-9-15)20-17-11-19-10-16(18)21-17/h2-11H,1H3,(H3,18,20,21)
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n/an/a 410n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human partially inactivated NaV 1.5 channel expressed in HEK293 cells by PatchXpress voltage patch clamp assay


Bioorg Med Chem Lett 22: 2033-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.023
BindingDB Entry DOI: 10.7270/Q2S183H3
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50362580
PNG
(CHEMBL1938867)
Show SMILES Cn1c(SCc2ccc(cc2)C(C)(C)C)nc(N)cc1=O
Show InChI InChI=1S/C16H21N3OS/c1-16(2,3)12-7-5-11(6-8-12)10-21-15-18-13(17)9-14(20)19(15)4/h5-9H,10,17H2,1-4H3
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n/an/a 420n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at 20% inactivated human sodium channel Nav1.7 expressed in human HEK293 cells by patch-clamp electrophysiological assay


Bioorg Med Chem Lett 22: 1055-60 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.111
BindingDB Entry DOI: 10.7270/Q2CV4J7X
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50379425
PNG
(CHEMBL2012040)
Show SMILES Nc1cncc(Nc2ccc(Oc3ccc(F)cc3)cc2)n1
Show InChI InChI=1S/C16H13FN4O/c17-11-1-5-13(6-2-11)22-14-7-3-12(4-8-14)20-16-10-19-9-15(18)21-16/h1-10H,(H3,18,20,21)
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n/an/a 440n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human partially inactivated NaV 1.7 channel expressed in HEK293 cells by PatchXpress voltage patch clamp assay


Bioorg Med Chem Lett 22: 2033-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.023
BindingDB Entry DOI: 10.7270/Q2S183H3
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50379396
PNG
(CHEMBL2011950)
Show SMILES Nc1ccnc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)n1
Show InChI InChI=1S/C16H13ClN4O/c17-11-1-5-13(6-2-11)22-14-7-3-12(4-8-14)20-16-19-10-9-15(18)21-16/h1-10H,(H3,18,19,20,21)
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n/an/a 440n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human partially inactivated NaV 1.7 channel expressed in HEK293 cells by PatchXpress voltage patch clamp assay


Bioorg Med Chem Lett 22: 2033-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.023
BindingDB Entry DOI: 10.7270/Q2S183H3
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50349986
PNG
(CHEMBL1813044)
Show SMILES CC(C)c1ccc(COC2CCN(CC2)c2ncnc(Nc3cccc(NC(C)=O)c3C)n2)cc1
Show InChI InChI=1S/C27H34N6O2/c1-18(2)22-10-8-21(9-11-22)16-35-23-12-14-33(15-13-23)27-29-17-28-26(32-27)31-25-7-5-6-24(19(25)3)30-20(4)34/h5-11,17-18,23H,12-16H2,1-4H3,(H,30,34)(H,28,29,31,32)
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n/an/a 440n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Erg expressed in human HEK293 cells by patch-clamp electrophysiological assay


J Med Chem 54: 4427-45 (2011)


Article DOI: 10.1021/jm200018k
BindingDB Entry DOI: 10.7270/Q2N016W1
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50379427
PNG
(CHEMBL2012044)
Show SMILES Nc1cncc(Nc2ccc(Oc3ccc(cc3)C(F)(F)F)cc2)n1
Show InChI InChI=1S/C17H13F3N4O/c18-17(19,20)11-1-5-13(6-2-11)25-14-7-3-12(4-8-14)23-16-10-22-9-15(21)24-16/h1-10H,(H3,21,23,24)
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n/an/a 460n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human partially inactivated NaV 1.5 channel expressed in HEK293 cells by PatchXpress voltage patch clamp assay


Bioorg Med Chem Lett 22: 2033-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.023
BindingDB Entry DOI: 10.7270/Q2S183H3
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50379425
PNG
(CHEMBL2012040)
Show SMILES Nc1cncc(Nc2ccc(Oc3ccc(F)cc3)cc2)n1
Show InChI InChI=1S/C16H13FN4O/c17-11-1-5-13(6-2-11)22-14-7-3-12(4-8-14)20-16-10-19-9-15(18)21-16/h1-10H,(H3,18,20,21)
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n/an/a 470n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human partially inactivated NaV 1.5 channel expressed in HEK293 cells by PatchXpress voltage patch clamp assay


Bioorg Med Chem Lett 22: 2033-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.023
BindingDB Entry DOI: 10.7270/Q2S183H3
More data for this
Ligand-Target Pair
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