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Compile Data Set for Download or QSAR

Found 152 hits with Last Name = 'mcnaughton-smith' and Initial = 'g'   
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
Intermediate conductance calcium-activated potassium channel protein 4


(Homo sapiens (Human))
BDBM50099566
PNG
((2-fluorophenyl)-(4-fluorophenyl)phenylacetamide |...)
Show SMILES NC(=O)C(c1ccccc1)(c1ccc(F)cc1)c1ccccc1F
Show InChI InChI=1S/C20H15F2NO/c21-16-12-10-15(11-13-16)20(19(23)24,14-6-2-1-3-7-14)17-8-4-5-9-18(17)22/h1-13H,(H2,23,24)
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n/an/a 9n/an/an/an/an/an/a



Icagen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Gardos channel in human RBC assessed as inhibition of ionomycin-stimulated [86Rb] efflux


J Med Chem 51: 976-82 (2008)


Article DOI: 10.1021/jm070663s
BindingDB Entry DOI: 10.7270/Q23F4QGH
More data for this
Ligand-Target Pair
Intermediate conductance calcium-activated potassium channel protein 4


(Homo sapiens (Human))
BDBM50371390
PNG
(CHEMBL272039)
Show SMILES NC(=O)C(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccccc1F
Show InChI InChI=1S/C20H14F3NO/c21-15-9-5-13(6-10-15)20(19(24)25,14-7-11-16(22)12-8-14)17-3-1-2-4-18(17)23/h1-12H,(H2,24,25)
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n/an/a 10n/an/an/an/an/an/a



Icagen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Gardos channel in human RBC assessed as inhibition of ionomycin-stimulated [86Rb] efflux


J Med Chem 51: 976-82 (2008)


Article DOI: 10.1021/jm070663s
BindingDB Entry DOI: 10.7270/Q23F4QGH
More data for this
Ligand-Target Pair
Intermediate conductance calcium-activated potassium channel protein 4


(Homo sapiens (Human))
BDBM50371391
PNG
(SENICAPOC)
Show SMILES NC(=O)C(c1ccccc1)(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C20H15F2NO/c21-17-10-6-15(7-11-17)20(19(23)24,14-4-2-1-3-5-14)16-8-12-18(22)13-9-16/h1-13H,(H2,23,24)
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n/an/a 12n/an/an/an/an/an/a



Icagen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Gardos channel in human RBC assessed as inhibition of ionomycin-stimulated [86Rb] efflux


J Med Chem 51: 976-82 (2008)


Article DOI: 10.1021/jm070663s
BindingDB Entry DOI: 10.7270/Q23F4QGH
More data for this
Ligand-Target Pair
Intermediate conductance calcium-activated potassium channel protein 4


(Homo sapiens (Human))
BDBM50371385
PNG
(CHEMBL260736)
Show SMILES NC(=O)C(c1cccc(F)c1)(c1cccc(F)c1)c1cccc(F)c1
Show InChI InChI=1S/C20H14F3NO/c21-16-7-1-4-13(10-16)20(19(24)25,14-5-2-8-17(22)11-14)15-6-3-9-18(23)12-15/h1-12H,(H2,24,25)
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n/an/a 13n/an/an/an/an/an/a



Icagen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Gardos channel in human RBC assessed as inhibition of ionomycin-stimulated [86Rb] efflux


J Med Chem 51: 976-82 (2008)


Article DOI: 10.1021/jm070663s
BindingDB Entry DOI: 10.7270/Q23F4QGH
More data for this
Ligand-Target Pair
Intermediate conductance calcium-activated potassium channel protein 4


(Homo sapiens (Human))
BDBM50371388
PNG
(CHEMBL270704)
Show SMILES NC(=O)C(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C20H14F3NO/c21-16-7-1-13(2-8-16)20(19(24)25,14-3-9-17(22)10-4-14)15-5-11-18(23)12-6-15/h1-12H,(H2,24,25)
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n/an/a 14n/an/an/an/an/an/a



Icagen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Gardos channel in human RBC assessed as inhibition of ionomycin-stimulated [86Rb] efflux


J Med Chem 51: 976-82 (2008)


Article DOI: 10.1021/jm070663s
BindingDB Entry DOI: 10.7270/Q23F4QGH
More data for this
Ligand-Target Pair
Intermediate conductance calcium-activated potassium channel protein 4


(Homo sapiens (Human))
BDBM50371389
PNG
(CHEMBL272040)
Show SMILES NC(=O)C(c1ccccc1)(c1ccccc1)c1ccc(F)c(F)c1
Show InChI InChI=1S/C20H15F2NO/c21-17-12-11-16(13-18(17)22)20(19(23)24,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13H,(H2,23,24)
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n/an/a 14n/an/an/an/an/an/a



Icagen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Gardos channel in human RBC assessed as inhibition of ionomycin-stimulated [86Rb] efflux


J Med Chem 51: 976-82 (2008)


Article DOI: 10.1021/jm070663s
BindingDB Entry DOI: 10.7270/Q23F4QGH
More data for this
Ligand-Target Pair
Intermediate conductance calcium-activated potassium channel protein 4


(Homo sapiens (Human))
BDBM50371395
PNG
(CHEMBL273092)
Show SMILES NC(=O)C(c1ccc(F)cc1)(c1ccccc1F)c1ccccc1F
Show InChI InChI=1S/C20H14F3NO/c21-14-11-9-13(10-12-14)20(19(24)25,15-5-1-3-7-17(15)22)16-6-2-4-8-18(16)23/h1-12H,(H2,24,25)
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n/an/a 15n/an/an/an/an/an/a



Icagen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Gardos channel in human RBC assessed as inhibition of ionomycin-stimulated [86Rb] efflux


J Med Chem 51: 976-82 (2008)


Article DOI: 10.1021/jm070663s
BindingDB Entry DOI: 10.7270/Q23F4QGH
More data for this
Ligand-Target Pair
Intermediate conductance calcium-activated potassium channel protein 4


(Homo sapiens (Human))
BDBM50371384
PNG
(CHEMBL270071)
Show SMILES NC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1F
Show InChI InChI=1S/C20H16FNO/c21-18-14-8-7-13-17(18)20(19(22)23,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H,(H2,22,23)
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n/an/a 15n/an/an/an/an/an/a



Icagen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Gardos channel in human RBC assessed as inhibition of ionomycin-stimulated [86Rb] efflux


J Med Chem 51: 976-82 (2008)


Article DOI: 10.1021/jm070663s
BindingDB Entry DOI: 10.7270/Q23F4QGH
More data for this
Ligand-Target Pair
Intermediate conductance calcium-activated potassium channel protein 4


(Homo sapiens (Human))
BDBM50371382
PNG
(CHEMBL408700)
Show SMILES NC(=O)C(c1ccc(F)cc1)(c1cccc(F)c1)c1cccc(F)c1
Show InChI InChI=1S/C20H14F3NO/c21-16-9-7-13(8-10-16)20(19(24)25,14-3-1-5-17(22)11-14)15-4-2-6-18(23)12-15/h1-12H,(H2,24,25)
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n/an/a 15n/an/an/an/an/an/a



Icagen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Gardos channel in human RBC assessed as inhibition of ionomycin-stimulated [86Rb] efflux


J Med Chem 51: 976-82 (2008)


Article DOI: 10.1021/jm070663s
BindingDB Entry DOI: 10.7270/Q23F4QGH
More data for this
Ligand-Target Pair
Intermediate conductance calcium-activated potassium channel protein 4


(Homo sapiens (Human))
BDBM50371386
PNG
(CHEMBL260953)
Show SMILES NC(=O)C(c1ccc(F)cc1)(c1ccc(F)cc1)c1cccc(F)c1
Show InChI InChI=1S/C20H14F3NO/c21-16-8-4-13(5-9-16)20(19(24)25,14-6-10-17(22)11-7-14)15-2-1-3-18(23)12-15/h1-12H,(H2,24,25)
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n/an/a 17n/an/an/an/an/an/a



Icagen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Gardos channel in human RBC assessed as inhibition of ionomycin-stimulated [86Rb] efflux


J Med Chem 51: 976-82 (2008)


Article DOI: 10.1021/jm070663s
BindingDB Entry DOI: 10.7270/Q23F4QGH
More data for this
Ligand-Target Pair
Intermediate conductance calcium-activated potassium channel protein 4


(Homo sapiens (Human))
BDBM50371377
PNG
(CHEMBL406683)
Show SMILES NC(c1ccccc1)(c1ccccc1)c1ccccc1Cl
Show InChI InChI=1S/C19H16ClN/c20-18-14-8-7-13-17(18)19(21,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H,21H2
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n/an/a 20n/an/an/an/an/an/a



Icagen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Gardos channel in human RBC assessed as inhibition of ionomycin-stimulated [86Rb] efflux


J Med Chem 51: 976-82 (2008)


Article DOI: 10.1021/jm070663s
BindingDB Entry DOI: 10.7270/Q23F4QGH
More data for this
Ligand-Target Pair
Intermediate conductance calcium-activated potassium channel protein 4


(Homo sapiens (Human))
BDBM50371383
PNG
(CHEMBL261828)
Show SMILES NC(=O)C(c1ccccc1)(c1cccc(F)c1)c1cccc(F)c1
Show InChI InChI=1S/C20H15F2NO/c21-17-10-4-8-15(12-17)20(19(23)24,14-6-2-1-3-7-14)16-9-5-11-18(22)13-16/h1-13H,(H2,23,24)
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n/an/a 30n/an/an/an/an/an/a



Icagen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Gardos channel in human RBC assessed as inhibition of ionomycin-stimulated [86Rb] efflux


J Med Chem 51: 976-82 (2008)


Article DOI: 10.1021/jm070663s
BindingDB Entry DOI: 10.7270/Q23F4QGH
More data for this
Ligand-Target Pair
Intermediate conductance calcium-activated potassium channel protein 4


(Homo sapiens (Human))
BDBM50371387
PNG
(CHEMBL261606)
Show SMILES NC(=O)C(c1ccccc1)(c1ccccc1F)c1ccccc1F
Show InChI InChI=1S/C20H15F2NO/c21-17-12-6-4-10-15(17)20(19(23)24,14-8-2-1-3-9-14)16-11-5-7-13-18(16)22/h1-13H,(H2,23,24)
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n/an/a 30n/an/an/an/an/an/a



Icagen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Gardos channel in human RBC assessed as inhibition of ionomycin-stimulated [86Rb] efflux


J Med Chem 51: 976-82 (2008)


Article DOI: 10.1021/jm070663s
BindingDB Entry DOI: 10.7270/Q23F4QGH
More data for this
Ligand-Target Pair
Intermediate conductance calcium-activated potassium channel protein 4


(Homo sapiens (Human))
BDBM50371396
PNG
(CHEMBL270913)
Show SMILES NC(=O)C(c1ccccc1)(c1ccccc1)c1ccc(F)cc1F
Show InChI InChI=1S/C20H15F2NO/c21-16-11-12-17(18(22)13-16)20(19(23)24,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13H,(H2,23,24)
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n/an/a 34n/an/an/an/an/an/a



Icagen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Gardos channel in human RBC assessed as inhibition of ionomycin-stimulated [86Rb] efflux


J Med Chem 51: 976-82 (2008)


Article DOI: 10.1021/jm070663s
BindingDB Entry DOI: 10.7270/Q23F4QGH
More data for this
Ligand-Target Pair
Intermediate conductance calcium-activated potassium channel protein 4


(Homo sapiens (Human))
BDBM50371394
PNG
(CHEMBL258604)
Show SMILES NC(=O)C(c1ccccc1)(c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C20H16FNO/c21-18-13-11-17(12-14-18)20(19(22)23,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14H,(H2,22,23)
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n/an/a 40n/an/an/an/an/an/a



Icagen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Gardos channel in human RBC assessed as inhibition of ionomycin-stimulated [86Rb] efflux


J Med Chem 51: 976-82 (2008)


Article DOI: 10.1021/jm070663s
BindingDB Entry DOI: 10.7270/Q23F4QGH
More data for this
Ligand-Target Pair
Intermediate conductance calcium-activated potassium channel protein 4


(Homo sapiens (Human))
BDBM23786
PNG
(Triphenylmethyl-containing compound, 15 | tripheny...)
Show SMILES NC(c1ccccc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H17N/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,20H2
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n/an/a 70n/an/an/an/an/an/a



Icagen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Gardos channel in human RBC assessed as inhibition of ionomycin-stimulated [86Rb] efflux


J Med Chem 51: 976-82 (2008)


Article DOI: 10.1021/jm070663s
BindingDB Entry DOI: 10.7270/Q23F4QGH
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50207909
PNG
(CHEMBL239805 | N-(3-(4-ethylphenylsulfonamido)-2,3...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)NC1CCc2ccc(NC(=O)c3cccc(OC)c3)cc12 |w:12.12|
Show InChI InChI=1S/C25H26N2O4S/c1-3-17-7-12-22(13-8-17)32(29,30)27-24-14-10-18-9-11-20(16-23(18)24)26-25(28)19-5-4-6-21(15-19)31-2/h4-9,11-13,15-16,24,27H,3,10,14H2,1-2H3,(H,26,28)
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n/an/a 150n/an/an/an/an/an/a



Icagen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 channel mediated delayed rectifier potassium current by patch-clamp technique


Bioorg Med Chem Lett 17: 2849-53 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.052
BindingDB Entry DOI: 10.7270/Q2VM4BZS
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50099581
PNG
(CHEMBL288131 | N-((2R,3R)-3-(4-ethylphenylsulfonam...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)N[C@H]1[C@H](O)Cc2ccc(NC(=O)c3cccc(OC)c3)cc12 |r|
Show InChI InChI=1S/C25H26N2O5S/c1-3-16-7-11-21(12-8-16)33(30,31)27-24-22-15-19(10-9-17(22)14-23(24)28)26-25(29)18-5-4-6-20(13-18)32-2/h4-13,15,23-24,27-28H,3,14H2,1-2H3,(H,26,29)/t23-,24-/m1/s1
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n/an/a 160n/an/an/an/an/an/a



Icagen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 channel mediated delayed rectifier potassium current by patch-clamp technique


Bioorg Med Chem Lett 17: 2849-53 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.052
BindingDB Entry DOI: 10.7270/Q2VM4BZS
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50099581
PNG
(CHEMBL288131 | N-((2R,3R)-3-(4-ethylphenylsulfonam...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)N[C@H]1[C@H](O)Cc2ccc(NC(=O)c3cccc(OC)c3)cc12 |r|
Show InChI InChI=1S/C25H26N2O5S/c1-3-16-7-11-21(12-8-16)33(30,31)27-24-22-15-19(10-9-17(22)14-23(24)28)26-25(29)18-5-4-6-20(13-18)32-2/h4-13,15,23-24,27-28H,3,14H2,1-2H3,(H,26,29)/t23-,24-/m1/s1
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n/an/a 160n/an/an/an/an/an/a



Icagen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 channel mediated delayed rectifier potassium current by patch-clamp technique


Bioorg Med Chem Lett 17: 2849-53 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.052
BindingDB Entry DOI: 10.7270/Q2VM4BZS
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50207912
PNG
(CHEMBL239808 | N-((8R,9R)-9-(4-ethylphenylsulfonam...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)N[C@H]1[C@H](O)CCCc2ccc(NC(=O)c3cccc(OC)c3)cc12
Show InChI InChI=1S/C27H30N2O5S/c1-3-18-10-14-23(15-11-18)35(32,33)29-26-24-17-21(13-12-19(24)6-5-9-25(26)30)28-27(31)20-7-4-8-22(16-20)34-2/h4,7-8,10-17,25-26,29-30H,3,5-6,9H2,1-2H3,(H,28,31)/t25-,26-/m1/s1
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n/an/a 200n/an/an/an/an/an/a



Icagen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 channel mediated delayed rectifier potassium current by patch-clamp technique


Bioorg Med Chem Lett 17: 2849-53 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.052
BindingDB Entry DOI: 10.7270/Q2VM4BZS
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50207906
PNG
(CHEMBL241513 | N-(3-((4-ethylphenylsulfonamido)met...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)NCc1cccc(NC(=O)c2cccc(OC)c2)c1
Show InChI InChI=1S/C23H24N2O4S/c1-3-17-10-12-22(13-11-17)30(27,28)24-16-18-6-4-8-20(14-18)25-23(26)19-7-5-9-21(15-19)29-2/h4-15,24H,3,16H2,1-2H3,(H,25,26)
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n/an/a 240n/an/an/an/an/an/a



Icagen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 channel mediated delayed rectifier potassium current by patch-clamp technique


Bioorg Med Chem Lett 17: 2849-53 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.052
BindingDB Entry DOI: 10.7270/Q2VM4BZS
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50207911
PNG
(CHEMBL398397 | N-((2S,3R)-3-(4-ethylphenylsulfonam...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)N[C@H]1[C@@H](O)Cc2ccc(NC(=O)c3cccc(OC)c3)cc12
Show InChI InChI=1S/C25H26N2O5S/c1-3-16-7-11-21(12-8-16)33(30,31)27-24-22-15-19(10-9-17(22)14-23(24)28)26-25(29)18-5-4-6-20(13-18)32-2/h4-13,15,23-24,27-28H,3,14H2,1-2H3,(H,26,29)/t23-,24+/m0/s1
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n/an/a 300n/an/an/an/an/an/a



Icagen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 channel mediated delayed rectifier potassium current by patch-clamp technique


Bioorg Med Chem Lett 17: 2849-53 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.052
BindingDB Entry DOI: 10.7270/Q2VM4BZS
More data for this
Ligand-Target Pair
Intermediate conductance calcium-activated potassium channel protein 4


(Homo sapiens (Human))
BDBM50371380
PNG
(CHEMBL270495)
Show SMILES COC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H18O2/c1-23-20(22)21(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16H,1H3
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n/an/a 330n/an/an/an/an/an/a



Icagen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Gardos channel in human RBC assessed as inhibition of ionomycin-stimulated [86Rb] efflux


J Med Chem 51: 976-82 (2008)


Article DOI: 10.1021/jm070663s
BindingDB Entry DOI: 10.7270/Q23F4QGH
More data for this
Ligand-Target Pair
Intermediate conductance calcium-activated potassium channel protein 4


(Homo sapiens (Human))
BDBM31774
PNG
(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Show SMILES Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1
Show InChI InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H
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n/an/a 360n/an/an/an/an/an/a



Icagen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Gardos channel in human RBC assessed as inhibition of ionomycin-stimulated [86Rb] efflux


J Med Chem 51: 976-82 (2008)


Article DOI: 10.1021/jm070663s
BindingDB Entry DOI: 10.7270/Q23F4QGH
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50207907
PNG
(CHEMBL239807 | N-((7R,8R)-8-(4-ethylphenylsulfonam...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)N[C@H]1[C@H](O)CCc2ccc(NC(=O)c3cccc(OC)c3)cc12 |r|
Show InChI InChI=1S/C26H28N2O5S/c1-3-17-7-12-22(13-8-17)34(31,32)28-25-23-16-20(11-9-18(23)10-14-24(25)29)27-26(30)19-5-4-6-21(15-19)33-2/h4-9,11-13,15-16,24-25,28-29H,3,10,14H2,1-2H3,(H,27,30)/t24-,25-/m1/s1
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n/an/a 440n/an/an/an/an/an/a



Icagen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 channel mediated delayed rectifier potassium current by patch-clamp technique


Bioorg Med Chem Lett 17: 2849-53 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.052
BindingDB Entry DOI: 10.7270/Q2VM4BZS
More data for this
Ligand-Target Pair
Intermediate conductance calcium-activated potassium channel protein 4


(Homo sapiens (Human))
BDBM50371379
PNG
(CHEMBL270288)
Show SMILES CNC(c1ccccc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H19N/c1-21-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16,21H,1H3
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n/an/a 550n/an/an/an/an/an/a



Icagen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Gardos channel in human RBC assessed as inhibition of ionomycin-stimulated [86Rb] efflux


J Med Chem 51: 976-82 (2008)


Article DOI: 10.1021/jm070663s
BindingDB Entry DOI: 10.7270/Q23F4QGH
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50207908
PNG
(CHEMBL391455 | N-((2S,3S)-3-(4-ethylphenylsulfonam...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)N[C@@H]1[C@@H](O)Cc2ccc(NC(=O)c3cccc(OC)c3)cc12
Show InChI InChI=1S/C25H26N2O5S/c1-3-16-7-11-21(12-8-16)33(30,31)27-24-22-15-19(10-9-17(22)14-23(24)28)26-25(29)18-5-4-6-20(13-18)32-2/h4-13,15,23-24,27-28H,3,14H2,1-2H3,(H,26,29)/t23-,24-/m0/s1
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n/an/a 760n/an/an/an/an/an/a



Icagen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 channel mediated delayed rectifier potassium current by patch-clamp technique


Bioorg Med Chem Lett 17: 2849-53 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.052
BindingDB Entry DOI: 10.7270/Q2VM4BZS
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50207910
PNG
(CHEMBL391488 | N-((2R,3R)-3-(4-ethylphenylsulfonam...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)N[C@H]1[C@H](O)Cc2cccc(NC(=O)c3cccc(OC)c3)c12
Show InChI InChI=1S/C25H26N2O5S/c1-3-16-10-12-20(13-11-16)33(30,31)27-24-22(28)15-17-6-5-9-21(23(17)24)26-25(29)18-7-4-8-19(14-18)32-2/h4-14,22,24,27-28H,3,15H2,1-2H3,(H,26,29)/t22-,24+/m1/s1
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n/an/a 880n/an/an/an/an/an/a



Icagen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 channel mediated delayed rectifier potassium current by patch-clamp technique


Bioorg Med Chem Lett 17: 2849-53 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.052
BindingDB Entry DOI: 10.7270/Q2VM4BZS
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily E/KQT member 1


(Homo sapiens (Human))
BDBM50420077
PNG
(CHEMBL2047511)
Show SMILES Fc1cc(ccc1Oc1ccccc1)C(=O)Nc1ccc(Cl)nc1
Show InChI InChI=1S/C18H12ClFN2O2/c19-17-9-7-13(11-21-17)22-18(23)12-6-8-16(15(20)10-12)24-14-4-2-1-3-5-14/h1-11H,(H,22,23)
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n/an/a 1.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at KCNQ1/MINK expressed in CHO cells assessed as inhibition of KCl-induced 86Rb+ efflux incubated for 10 mins prior to KCl-induct...


ACS Med Chem Lett 2: 481-484 (2011)


Article DOI: 10.1021/ml200053x
BindingDB Entry DOI: 10.7270/Q2R49RVJ
More data for this
Ligand-Target Pair
Intermediate conductance calcium-activated potassium channel protein 4


(Homo sapiens (Human))
BDBM50371392
PNG
(CHEMBL260107)
Show SMILES CCNC(c1ccccc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H21N/c1-2-22-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17,22H,2H2,1H3
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n/an/a 1.75E+3n/an/an/an/an/an/a



Icagen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Gardos channel in human RBC assessed as inhibition of ionomycin-stimulated [86Rb] efflux


J Med Chem 51: 976-82 (2008)


Article DOI: 10.1021/jm070663s
BindingDB Entry DOI: 10.7270/Q23F4QGH
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily E/KQT member 1


(Homo sapiens (Human))
BDBM50420073
PNG
(CHEMBL2047506)
Show SMILES Clc1ccc(NC(=O)c2ccc(Oc3ccccc3)cc2)cn1
Show InChI InChI=1S/C18H13ClN2O2/c19-17-11-8-14(12-20-17)21-18(22)13-6-9-16(10-7-13)23-15-4-2-1-3-5-15/h1-12H,(H,21,22)
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n/an/a 1.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at KCNQ1/MINK expressed in CHO cells assessed as inhibition of KCl-induced 86Rb+ efflux incubated for 10 mins prior to KCl-induct...


ACS Med Chem Lett 2: 481-484 (2011)


Article DOI: 10.1021/ml200053x
BindingDB Entry DOI: 10.7270/Q2R49RVJ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily E/KQT member 1


(Homo sapiens (Human))
BDBM50420057
PNG
(CHEMBL2046674)
Show SMILES FC(F)(F)c1ccc(cc1)C(=O)Nc1ccc(Cl)nc1
Show InChI InChI=1S/C13H8ClF3N2O/c14-11-6-5-10(7-18-11)19-12(20)8-1-3-9(4-2-8)13(15,16)17/h1-7H,(H,19,20)
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n/an/a 2.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at KCNQ1/MINK expressed in CHO cells assessed as inhibition of KCl-induced 86Rb+ efflux incubated for 10 mins prior to KCl-induct...


ACS Med Chem Lett 2: 481-484 (2011)


Article DOI: 10.1021/ml200053x
BindingDB Entry DOI: 10.7270/Q2R49RVJ
More data for this
Ligand-Target Pair
Intermediate conductance calcium-activated potassium channel protein 4


(Homo sapiens (Human))
BDBM50371378
PNG
(CHEMBL259899)
Show SMILES CN(C)C(c1ccccc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H21N/c1-22(2)21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17H,1-2H3
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n/an/a 3.15E+3n/an/an/an/an/an/a



Icagen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Gardos channel in human RBC assessed as inhibition of ionomycin-stimulated [86Rb] efflux


J Med Chem 51: 976-82 (2008)


Article DOI: 10.1021/jm070663s
BindingDB Entry DOI: 10.7270/Q23F4QGH
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily E/KQT member 1


(Homo sapiens (Human))
BDBM50420066
PNG
(CHEMBL2046683)
Show SMILES Fc1cc(ccc1C(F)(F)F)C(=O)Nc1ccc(Cl)nc1
Show InChI InChI=1S/C13H7ClF4N2O/c14-11-4-2-8(6-19-11)20-12(21)7-1-3-9(10(15)5-7)13(16,17)18/h1-6H,(H,20,21)
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n/an/a 3.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at KCNQ1/MINK expressed in CHO cells assessed as inhibition of KCl-induced 86Rb+ efflux incubated for 10 mins prior to KCl-induct...


ACS Med Chem Lett 2: 481-484 (2011)


Article DOI: 10.1021/ml200053x
BindingDB Entry DOI: 10.7270/Q2R49RVJ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily E/KQT member 1


(Homo sapiens (Human))
BDBM50420064
PNG
(CHEMBL2046681)
Show SMILES Fc1ccc(cc1C(F)(F)F)C(=O)Nc1ccc(Cl)nc1
Show InChI InChI=1S/C13H7ClF4N2O/c14-11-4-2-8(6-19-11)20-12(21)7-1-3-10(15)9(5-7)13(16,17)18/h1-6H,(H,20,21)
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n/an/a 3.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at KCNQ1/MINK expressed in CHO cells assessed as inhibition of KCl-induced 86Rb+ efflux incubated for 10 mins prior to KCl-induct...


ACS Med Chem Lett 2: 481-484 (2011)


Article DOI: 10.1021/ml200053x
BindingDB Entry DOI: 10.7270/Q2R49RVJ
More data for this
Ligand-Target Pair
Intermediate conductance calcium-activated potassium channel protein 4


(Homo sapiens (Human))
BDBM50371381
PNG
(CHEMBL271167)
Show SMILES C1CN=C(O1)C(c1ccccc1)(c1ccccc1)c1ccccc1 |c:2|
Show InChI InChI=1S/C22H19NO/c1-4-10-18(11-5-1)22(21-23-16-17-24-21,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2
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n/an/a 4.30E+3n/an/an/an/an/an/a



Icagen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Gardos channel in human RBC assessed as inhibition of ionomycin-stimulated [86Rb] efflux


J Med Chem 51: 976-82 (2008)


Article DOI: 10.1021/jm070663s
BindingDB Entry DOI: 10.7270/Q23F4QGH
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily E/KQT member 1


(Homo sapiens (Human))
BDBM50420056
PNG
(CHEMBL2046673)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)Nc1ccc(Cl)nc1
Show InChI InChI=1S/C13H8ClF3N2O/c14-11-5-4-10(7-18-11)19-12(20)8-2-1-3-9(6-8)13(15,16)17/h1-7H,(H,19,20)
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n/an/a 5.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at KCNQ1/MINK expressed in CHO cells assessed as inhibition of KCl-induced 86Rb+ efflux incubated for 10 mins prior to KCl-induct...


ACS Med Chem Lett 2: 481-484 (2011)


Article DOI: 10.1021/ml200053x
BindingDB Entry DOI: 10.7270/Q2R49RVJ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily E/KQT member 1


(Homo sapiens (Human))
BDBM50420082
PNG
(CHEMBL2047516)
Show SMILES CC(C)Sc1ccc(cc1F)C(=O)Nc1ccc(Cl)nc1
Show InChI InChI=1S/C15H14ClFN2OS/c1-9(2)21-13-5-3-10(7-12(13)17)15(20)19-11-4-6-14(16)18-8-11/h3-9H,1-2H3,(H,19,20)
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n/an/a 5.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at KCNQ1/MINK expressed in CHO cells assessed as inhibition of KCl-induced 86Rb+ efflux incubated for 10 mins prior to KCl-induct...


ACS Med Chem Lett 2: 481-484 (2011)


Article DOI: 10.1021/ml200053x
BindingDB Entry DOI: 10.7270/Q2R49RVJ
More data for this
Ligand-Target Pair
Intermediate conductance calcium-activated potassium channel protein 4


(Homo sapiens (Human))
BDBM50371393
PNG
(2,2,2-triphenylacetic acid | CHEMBL271207 | J-6402...)
Show SMILES OC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H16O2/c21-19(22)20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,(H,21,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Icagen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Gardos channel in human RBC assessed as inhibition of ionomycin-stimulated [86Rb] efflux


J Med Chem 51: 976-82 (2008)


Article DOI: 10.1021/jm070663s
BindingDB Entry DOI: 10.7270/Q23F4QGH
More data for this
Ligand-Target Pair
E-selectin


(Homo sapiens (Human))
BDBM50450369
PNG
(SIALYL LEWIS X | Sialyl LeX | Sialyl lewis-x | sLe...)
Show SMILES [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](NC(C)=O)C=O)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO
Show InChI InChI=1S/C31H52N2O23/c1-9-18(43)21(46)22(47)28(51-9)53-24(12(5-34)32-10(2)38)25(15(42)7-36)54-29-23(48)27(20(45)16(8-37)52-29)56-31(30(49)50)4-13(40)17(33-11(3)39)26(55-31)19(44)14(41)6-35/h5,9,12-29,35-37,40-48H,4,6-8H2,1-3H3,(H,32,38)(H,33,39)(H,49,50)/t9-,12-,13-,14+,15+,16+,17+,18+,19+,20-,21+,22-,23+,24+,25+,26+,27-,28-,29-,31-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Compound was evaluated for the Selectin E binding activity.


Bioorg Med Chem Lett 8: 2803-8 (1999)


BindingDB Entry DOI: 10.7270/Q2RN38CC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily E/KQT member 1


(Homo sapiens (Human))
BDBM50420052
PNG
(CHEMBL2046669)
Show SMILES Clc1ccc(cc1)C(=O)Nc1ccc(Cl)nc1
Show InChI InChI=1S/C12H8Cl2N2O/c13-9-3-1-8(2-4-9)12(17)16-10-5-6-11(14)15-7-10/h1-7H,(H,16,17)
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n/an/a 1.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at KCNQ1/MINK expressed in CHO cells assessed as inhibition of KCl-induced 86Rb+ efflux incubated for 10 mins prior to KCl-induct...


ACS Med Chem Lett 2: 481-484 (2011)


Article DOI: 10.1021/ml200053x
BindingDB Entry DOI: 10.7270/Q2R49RVJ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily E/KQT member 1


(Homo sapiens (Human))
BDBM50420063
PNG
(CHEMBL2046680)
Show SMILES Fc1cc(ccc1Cl)C(=O)Nc1ccc(Cl)nc1
Show InChI InChI=1S/C12H7Cl2FN2O/c13-9-3-1-7(5-10(9)15)12(18)17-8-2-4-11(14)16-6-8/h1-6H,(H,17,18)
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n/an/a 1.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at KCNQ1/MINK expressed in CHO cells assessed as inhibition of KCl-induced 86Rb+ efflux incubated for 10 mins prior to KCl-induct...


ACS Med Chem Lett 2: 481-484 (2011)


Article DOI: 10.1021/ml200053x
BindingDB Entry DOI: 10.7270/Q2R49RVJ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily E/KQT member 1


(Homo sapiens (Human))
BDBM50420061
PNG
(CHEMBL2046678)
Show SMILES Clc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cn1
Show InChI InChI=1S/C12H7Cl3N2O/c13-9-3-1-7(5-10(9)14)12(18)17-8-2-4-11(15)16-6-8/h1-6H,(H,17,18)
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n/an/a 1.70E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at KCNQ1/MINK expressed in CHO cells assessed as inhibition of KCl-induced 86Rb+ efflux incubated for 10 mins prior to KCl-induct...


ACS Med Chem Lett 2: 481-484 (2011)


Article DOI: 10.1021/ml200053x
BindingDB Entry DOI: 10.7270/Q2R49RVJ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily E/KQT member 1


(Homo sapiens (Human))
BDBM50420070
PNG
(CHEMBL2046684)
Show SMILES Fc1ccc(cc1Cl)C(=O)Nc1ccc(Cl)nc1
Show InChI InChI=1S/C12H7Cl2FN2O/c13-9-5-7(1-3-10(9)15)12(18)17-8-2-4-11(14)16-6-8/h1-6H,(H,17,18)
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n/an/a 2.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at KCNQ1/MINK expressed in CHO cells assessed as inhibition of KCl-induced 86Rb+ efflux incubated for 10 mins prior to KCl-induct...


ACS Med Chem Lett 2: 481-484 (2011)


Article DOI: 10.1021/ml200053x
BindingDB Entry DOI: 10.7270/Q2R49RVJ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily E/KQT member 1


(Homo sapiens (Human))
BDBM50420058
PNG
(CHEMBL2046675)
Show SMILES Clc1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cn1
Show InChI InChI=1S/C18H13ClN2O/c19-17-11-10-16(12-20-17)21-18(22)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H,21,22)
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n/an/a>3.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at KCNQ1/MINK expressed in CHO cells assessed as inhibition of KCl-induced 86Rb+ efflux incubated for 10 mins prior to KCl-induct...


ACS Med Chem Lett 2: 481-484 (2011)


Article DOI: 10.1021/ml200053x
BindingDB Entry DOI: 10.7270/Q2R49RVJ
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50386291
PNG
(CHEMBL2047521)
Show SMILES Fc1ccc(cc1F)C(=O)Nc1cnc(Cl)nc1
Show InChI InChI=1S/C11H6ClF2N3O/c12-11-15-4-7(5-16-11)17-10(18)6-1-2-8(13)9(14)3-6/h1-5H,(H,17,18)
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n/an/a>3.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of NaV1.5


ACS Med Chem Lett 2: 481-484 (2011)


Article DOI: 10.1021/ml200053x
BindingDB Entry DOI: 10.7270/Q2R49RVJ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50386291
PNG
(CHEMBL2047521)
Show SMILES Fc1ccc(cc1F)C(=O)Nc1cnc(Cl)nc1
Show InChI InChI=1S/C11H6ClF2N3O/c12-11-15-4-7(5-16-11)17-10(18)6-1-2-8(13)9(14)3-6/h1-5H,(H,17,18)
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n/an/a>3.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human ERG


ACS Med Chem Lett 2: 481-484 (2011)


Article DOI: 10.1021/ml200053x
BindingDB Entry DOI: 10.7270/Q2R49RVJ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily E/KQT member 1


(Homo sapiens (Human))
BDBM50420071
PNG
(CHEMBL2046685)
Show SMILES Cc1ccc(cc1F)C(=O)Nc1ccc(Cl)nc1
Show InChI InChI=1S/C13H10ClFN2O/c1-8-2-3-9(6-11(8)15)13(18)17-10-4-5-12(14)16-7-10/h2-7H,1H3,(H,17,18)
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n/an/a 3.30E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at KCNQ1/MINK expressed in CHO cells assessed as inhibition of KCl-induced 86Rb+ efflux incubated for 10 mins prior to KCl-induct...


ACS Med Chem Lett 2: 481-484 (2011)


Article DOI: 10.1021/ml200053x
BindingDB Entry DOI: 10.7270/Q2R49RVJ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily E/KQT member 1


(Homo sapiens (Human))
BDBM50420088
PNG
(CHEMBL2047523)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)Nc1cnc(Cl)nc1
Show InChI InChI=1S/C12H7ClF3N3O/c13-11-17-5-9(6-18-11)19-10(20)7-2-1-3-8(4-7)12(14,15)16/h1-6H,(H,19,20)
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n/an/a 3.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at KCNQ1/MINK expressed in CHO cells assessed as inhibition of KCl-induced 86Rb+ efflux incubated for 10 mins prior to KCl-induct...


ACS Med Chem Lett 2: 481-484 (2011)


Article DOI: 10.1021/ml200053x
BindingDB Entry DOI: 10.7270/Q2R49RVJ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily E/KQT member 1


(Homo sapiens (Human))
BDBM50420062
PNG
(CHEMBL2046679)
Show SMILES Clc1cccc(c1)C(=O)Nc1ccc(Cl)nc1
Show InChI InChI=1S/C12H8Cl2N2O/c13-9-3-1-2-8(6-9)12(17)16-10-4-5-11(14)15-7-10/h1-7H,(H,16,17)
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n/an/a 4.10E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at KCNQ1/MINK expressed in CHO cells assessed as inhibition of KCl-induced 86Rb+ efflux incubated for 10 mins prior to KCl-induct...


ACS Med Chem Lett 2: 481-484 (2011)


Article DOI: 10.1021/ml200053x
BindingDB Entry DOI: 10.7270/Q2R49RVJ
More data for this
Ligand-Target Pair
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