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Compile Data Set for Download or QSAR

Found 90 hits Enz. Inhib. hit(s) with all data for entry = 50039522   
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))
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 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 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 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 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))
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 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
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
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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MMDB

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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 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)
PDB

KEGG

UniProtKB/SwissProt

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Article
PubMed
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
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