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PubMed code 22306122

Compile data set for download or QSAR
Found 90 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
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
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
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))
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))
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))
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 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))
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))
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 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 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))
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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n/an/a 360n/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))
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))
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
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
Sodium channel protein type 5 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 500n/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))
BDBM50379428
PNG
(CHEMBL2012039)
Show SMILES Nc1cncc(Nc2ccc(Oc3ccccc3)cc2)n1
Show InChI InChI=1S/C16H14N4O/c17-15-10-18-11-16(20-15)19-12-6-8-14(9-7-12)21-13-4-2-1-3-5-13/h1-11H,(H3,17,19,20)
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n/an/a 500n/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))
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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n/an/a 590n/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))
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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n/an/a 620n/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))
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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n/an/a 720n/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))
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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n/an/a 780n/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))
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 800n/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 9 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 880n/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))
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 900n/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))
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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n/an/a 1.20E+3n/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))
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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n/an/a 1.20E+3n/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))
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 1.26E+3n/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))
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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n/an/a 1.30E+3n/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))
BDBM50379390
PNG
(CHEMBL2012042)
Show SMILES Nc1cncc(Nc2ccc(Oc3ccc(cc3)C3CC3)cc2)n1
Show InChI InChI=1S/C19H18N4O/c20-18-11-21-12-19(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,(H3,20,22,23)
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n/an/a 1.30E+3n/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))
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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n/an/a 1.40E+3n/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
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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n/an/a 1.50E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG by PatchXpress volatage 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))
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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n/an/a 1.50E+3n/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))
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 1.50E+3n/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 9 subunit alpha


(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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n/an/a 1.60E+3n/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))
BDBM50379412
PNG
(CHEMBL2012026)
Show SMILES Nc1ccnc(Nc2ccc(Oc3cccc(Cl)c3)cc2)n1
Show InChI InChI=1S/C16H13ClN4O/c17-11-2-1-3-14(10-11)22-13-6-4-12(5-7-13)20-16-19-9-8-15(18)21-16/h1-10H,(H3,18,19,20,21)
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n/an/a 1.70E+3n/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))
BDBM50379428
PNG
(CHEMBL2012039)
Show SMILES Nc1cncc(Nc2ccc(Oc3ccccc3)cc2)n1
Show InChI InChI=1S/C16H14N4O/c17-15-10-18-11-16(20-15)19-12-6-8-14(9-7-12)21-13-4-2-1-3-5-13/h1-11H,(H3,17,19,20)
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n/an/a 1.80E+3n/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))
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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n/an/a 1.80E+3n/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))
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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n/an/a 1.80E+3n/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))
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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n/an/a 2.00E+3n/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))
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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n/an/a 2.00E+3n/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))
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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n/an/a 2.00E+3n/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))
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 2.20E+3n/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))
BDBM50379411
PNG
(CHEMBL2012025)
Show SMILES Cc1cc(Nc2nccc(N)n2)ccc1Oc1ccc(Cl)cc1
Show InChI InChI=1S/C17H15ClN4O/c1-11-10-13(21-17-20-9-8-16(19)22-17)4-7-15(11)23-14-5-2-12(18)3-6-14/h2-10H,1H3,(H3,19,20,21,22)
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n/an/a 2.27E+3n/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))
BDBM50379411
PNG
(CHEMBL2012025)
Show SMILES Cc1cc(Nc2nccc(N)n2)ccc1Oc1ccc(Cl)cc1
Show InChI InChI=1S/C17H15ClN4O/c1-11-10-13(21-17-20-9-8-16(19)22-17)4-7-15(11)23-14-5-2-12(18)3-6-14/h2-10H,1H3,(H3,19,20,21,22)
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n/an/a 2.30E+3n/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))
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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n/an/a 2.90E+3n/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))
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 2.90E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human non-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))
BDBM50379390
PNG
(CHEMBL2012042)
Show SMILES Nc1cncc(Nc2ccc(Oc3ccc(cc3)C3CC3)cc2)n1
Show InChI InChI=1S/C19H18N4O/c20-18-11-21-12-19(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,(H3,20,22,23)
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n/an/a 3.00E+3n/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))
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>3.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human non-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 9 subunit alpha


(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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n/an/a 3.10E+3n/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))
BDBM50379412
PNG
(CHEMBL2012026)
Show SMILES Nc1ccnc(Nc2ccc(Oc3cccc(Cl)c3)cc2)n1
Show InChI InChI=1S/C16H13ClN4O/c17-11-2-1-3-14(10-11)22-13-6-4-12(5-7-13)20-16-19-9-8-15(18)21-16/h1-10H,(H3,18,19,20,21)
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n/an/a 3.20E+3n/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))
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 3.20E+3n/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))
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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n/an/a 3.70E+3n/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))
BDBM50379429
PNG
(CHEMBL2012043)
Show SMILES Nc1cncc(Nc2ccc(Oc3ccc(cc3)C#N)cc2)n1
Show InChI InChI=1S/C17H13N5O/c18-9-12-1-5-14(6-2-12)23-15-7-3-13(4-8-15)21-17-11-20-10-16(19)22-17/h1-8,10-11H,(H3,19,21,22)
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n/an/a 3.90E+3n/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))
BDBM50379406
PNG
(CHEMBL2012019)
Show SMILES Nc1nc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)ns1
Show InChI InChI=1S/C14H11ClN4OS/c15-9-1-5-11(6-2-9)20-12-7-3-10(4-8-12)17-14-18-13(16)21-19-14/h1-8H,(H3,16,17,18,19)
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n/an/a 5.30E+3n/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))
BDBM50379404
PNG
(CHEMBL2012016)
Show SMILES Nc1cnnc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)c1
Show InChI InChI=1S/C16H13ClN4O/c17-11-1-5-14(6-2-11)22-15-7-3-13(4-8-15)20-16-9-12(18)10-19-21-16/h1-10H,(H3,18,20,21)
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n/an/a 5.50E+3n/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))
BDBM50379424
PNG
(CHEMBL2012018)
Show SMILES Nc1nsc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)n1
Show InChI InChI=1S/C14H11ClN4OS/c15-9-1-5-11(6-2-9)20-12-7-3-10(4-8-12)17-14-18-13(16)19-21-14/h1-8H,(H3,16,17,18,19)
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n/an/a 5.70E+3n/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))
BDBM50379409
PNG
(CHEMBL2012022)
Show SMILES Nc1ccnc(Nc2ccc(Nc3ccc(Cl)cc3)cc2)n1
Show InChI InChI=1S/C16H14ClN5/c17-11-1-3-12(4-2-11)20-13-5-7-14(8-6-13)21-16-19-10-9-15(18)22-16/h1-10,20H,(H3,18,19,21,22)
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n/an/a 5.90E+3n/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))
BDBM50379399
PNG
(CHEMBL2012012)
Show SMILES Nc1cc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)ccn1
Show InChI InChI=1S/C17H14ClN3O/c18-12-1-5-15(6-2-12)22-16-7-3-13(4-8-16)21-14-9-10-20-17(19)11-14/h1-11H,(H3,19,20,21)
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n/an/a 6.10E+3n/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))
BDBM50379403
PNG
(CHEMBL2012015)
Show SMILES Nc1cc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)cnn1
Show InChI InChI=1S/C16H13ClN4O/c17-11-1-5-14(6-2-11)22-15-7-3-12(4-8-15)20-13-9-16(18)21-19-10-13/h1-10H,(H3,18,20,21)
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n/an/a 7.30E+3n/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))
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 8.50E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG by PatchXpress volatage 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))
BDBM50379400
PNG
(CHEMBL2012013)
Show SMILES Nc1cccc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)n1
Show InChI InChI=1S/C17H14ClN3O/c18-12-4-8-14(9-5-12)22-15-10-6-13(7-11-15)20-17-3-1-2-16(19)21-17/h1-11H,(H3,19,20,21)
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n/an/a 8.80E+3n/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))
BDBM50379408
PNG
(CHEMBL2012021)
Show SMILES Nc1ccnc(Oc2ccc(Oc3ccc(Cl)cc3)cc2)n1
Show InChI InChI=1S/C16H12ClN3O2/c17-11-1-3-12(4-2-11)21-13-5-7-14(8-6-13)22-16-19-10-9-15(18)20-16/h1-10H,(H2,18,19,20)
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n/an/a 9.80E+3n/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))
BDBM50379394
PNG
(CHEMBL2011948)
Show SMILES CNc1ncnc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)n1
Show InChI InChI=1S/C16H14ClN5O/c1-18-15-19-10-20-16(22-15)21-12-4-8-14(9-5-12)23-13-6-2-11(17)3-7-13/h2-10H,1H3,(H2,18,19,20,21,22)
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n/an/a>1.00E+4n/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))
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 1.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human non-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 9 subunit alpha


(Homo sapiens (Human))
BDBM50379395
PNG
(CHEMBL2011949)
Show SMILES Clc1ccc(Oc2ccc(Nc3ncncn3)cc2)cc1
Show InChI InChI=1S/C15H11ClN4O/c16-11-1-5-13(6-2-11)21-14-7-3-12(4-8-14)20-15-18-9-17-10-19-15/h1-10H,(H,17,18,19,20)
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n/an/a>1.00E+4n/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))
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>1.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human non-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 9 subunit alpha


(Homo sapiens (Human))
BDBM50379422
PNG
(CHEMBL2012036)
Show SMILES CN(C)c1ccc(Oc2ccc(Nc3nccc(N)n3)cc2)cc1
Show InChI InChI=1S/C18H19N5O/c1-23(2)14-5-9-16(10-6-14)24-15-7-3-13(4-8-15)21-18-20-12-11-17(19)22-18/h3-12H,1-2H3,(H3,19,20,21,22)
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n/an/a 1.08E+4n/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))
BDBM50379392
PNG
(CHEMBL2012024)
Show SMILES Cc1cc(Oc2ccc(Cl)cc2)ccc1Nc1nccc(N)n1
Show InChI InChI=1S/C17H15ClN4O/c1-11-10-14(23-13-4-2-12(18)3-5-13)6-7-15(11)21-17-20-9-8-16(19)22-17/h2-10H,1H3,(H3,19,20,21,22)
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n/an/a 1.11E+4n/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))
BDBM50379407
PNG
(CHEMBL2012020)
Show SMILES Nc1nnc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)s1
Show InChI InChI=1S/C14H11ClN4OS/c15-9-1-5-11(6-2-9)20-12-7-3-10(4-8-12)17-14-19-18-13(16)21-14/h1-8H,(H2,16,18)(H,17,19)
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n/an/a 1.13E+4n/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))
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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n/an/a 1.18E+4n/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))
BDBM50379397
PNG
(CHEMBL2011951)
Show SMILES Nc1cc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)ncn1
Show InChI InChI=1S/C16H13ClN4O/c17-11-1-5-13(6-2-11)22-14-7-3-12(4-8-14)21-16-9-15(18)19-10-20-16/h1-10H,(H3,18,19,20,21)
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n/an/a 1.35E+4n/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))
BDBM50379421
PNG
(CHEMBL2012035)
Show SMILES Nc1ccnc(Nc2ccc(Oc3ccncc3)cc2)n1
Show InChI InChI=1S/C15H13N5O/c16-14-7-10-18-15(20-14)19-11-1-3-12(4-2-11)21-13-5-8-17-9-6-13/h1-10H,(H3,16,18,19,20)
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n/an/a 2.57E+4n/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
Cytochrome P450 3A4


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



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


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
Cytochrome P450 2D6


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



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


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))
BDBM50379417
PNG
(CHEMBL2012031)
Show SMILES Nc1ccnc(Nc2ccc(Oc3ccc(cc3)-c3ccccc3)cc2)n1
Show InChI InChI=1S/C22H18N4O/c23-21-14-15-24-22(26-21)25-18-8-12-20(13-9-18)27-19-10-6-17(7-11-19)16-4-2-1-3-5-16/h1-15H,(H3,23,24,25,26)
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n/an/a>3.00E+4n/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))
BDBM50379420
PNG
(CHEMBL2012034)
Show SMILES NC(=O)c1ccc(Oc2ccc(Nc3nccc(N)n3)cc2)cc1
Show InChI InChI=1S/C17H15N5O2/c18-15-9-10-20-17(22-15)21-12-3-7-14(8-4-12)24-13-5-1-11(2-6-13)16(19)23/h1-10H,(H2,19,23)(H3,18,20,21,22)
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n/an/a>3.00E+4n/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))
BDBM50379419
PNG
(CHEMBL2012033)
Show SMILES CS(=O)(=O)c1ccc(Oc2ccc(Nc3nccc(N)n3)cc2)cc1
Show InChI InChI=1S/C17H16N4O3S/c1-25(22,23)15-8-6-14(7-9-15)24-13-4-2-12(3-5-13)20-17-19-11-10-16(18)21-17/h2-11H,1H3,(H3,18,19,20,21)
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n/an/a>3.00E+4n/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
* indicates data uncertainty>20%