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Compile Data Set for Download or QSAR

Found 181 hits with Last Name = 'regan' and Initial = 'cp'   
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
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50235240
PNG
(CHEMBL4065169)
Show SMILES CS(=O)(=O)Nc1cccc(n1)[C@@H](C(c1cccnc1)c1cccnc1)c1ccc(F)cc1
Show InChI InChI=1S/C24H21FN4O2S/c1-32(30,31)29-22-8-2-7-21(28-22)24(17-9-11-20(25)12-10-17)23(18-5-3-13-26-15-18)19-6-4-14-27-16-19/h2-16,23-24H,1H3,(H,28,29)/t24-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro antagonistic activity towards LTB4 receptor was evaluated by inhibition of binding of [3H]LTB4 to human neutrophils


Bioorg Med Chem Lett 27: 1062-1069 (2017)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50235240
PNG
(CHEMBL4065169)
Show SMILES CS(=O)(=O)Nc1cccc(n1)[C@@H](C(c1cccnc1)c1cccnc1)c1ccc(F)cc1
Show InChI InChI=1S/C24H21FN4O2S/c1-32(30,31)29-22-8-2-7-21(28-22)24(17-9-11-20(25)12-10-17)23(18-5-3-13-26-15-18)19-6-4-14-27-16-19/h2-16,23-24H,1H3,(H,28,29)/t24-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 mediated ultra-rapid delayed rectifier current Ikur in human atrial myocytes by voltage-patch clamp electrophysiology method


Bioorg Med Chem Lett 27: 1062-1069 (2017)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50235250
PNG
(CHEMBL4104525)
Show SMILES O[C@H](C(c1cccnc1)c1cccnc1)c1cccnc1-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C23H17Cl2N3O/c24-18-10-17(11-19(25)12-18)22-20(6-3-9-28-22)23(29)21(15-4-1-7-26-13-15)16-5-2-8-27-14-16/h1-14,21,23,29H/t23-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 mediated ultra-rapid delayed rectifier current Ikur in human atrial myocytes by voltage-patch clamp electrophysiology method


Bioorg Med Chem Lett 27: 1062-1069 (2017)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50235255
PNG
(CHEMBL4085436)
Show SMILES Clc1ccccc1-c1ncccc1CC(c1cccnc1)c1cccnc1
Show InChI InChI=1S/C23H18ClN3/c24-22-10-2-1-9-20(22)23-17(6-5-13-27-23)14-21(18-7-3-11-25-15-18)19-8-4-12-26-16-19/h1-13,15-16,21H,14H2
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n/an/a 23n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 (unknown origin)


Bioorg Med Chem Lett 27: 1062-1069 (2017)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50235259
PNG
(CHEMBL4105245)
Show SMILES Clc1ccccc1-c1ncccc1CC(c1cccnc1)c1cccnc1Cl
Show InChI InChI=1S/C23H17Cl2N3/c24-21-10-2-1-8-19(21)22-16(6-4-12-27-22)14-20(17-7-3-11-26-15-17)18-9-5-13-28-23(18)25/h1-13,15,20H,14H2
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n/an/a 26n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 (unknown origin)


Bioorg Med Chem Lett 27: 1062-1069 (2017)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50235250
PNG
(CHEMBL4104525)
Show SMILES O[C@H](C(c1cccnc1)c1cccnc1)c1cccnc1-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C23H17Cl2N3O/c24-18-10-17(11-19(25)12-18)22-20(6-3-9-28-22)23(29)21(15-4-1-7-26-13-15)16-5-2-8-27-14-16/h1-14,21,23,29H/t23-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 (unknown origin)


Bioorg Med Chem Lett 27: 1062-1069 (2017)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50235275
PNG
(CHEMBL4062996)
Show SMILES Clc1cccc(c1)-c1ncccc1CC(c1cccnc1)c1cccnc1
Show InChI InChI=1S/C23H18ClN3/c24-21-9-1-5-17(13-21)23-18(6-4-12-27-23)14-22(19-7-2-10-25-15-19)20-8-3-11-26-16-20/h1-13,15-16,22H,14H2
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n/an/a 30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested for irreversible inhibitory activity against AdoMet-DC (S-adenosyl-methionine decarboxylase-) isolated from Escherichia coli


Bioorg Med Chem Lett 27: 1062-1069 (2017)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50315563
PNG
(CHEMBL1088844 | {[(1S,2S,5R)-5-methyl-2-(propan-2-...)
Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1P(=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H29OP/c1-17(2)21-15-14-18(3)16-22(21)24(23,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,17-18,21-22H,14-16H2,1-3H3/t18-,21+,22+/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in CHO cells by whole cell patch clamp assay


Bioorg Med Chem Lett 20: 2493-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.005
BindingDB Entry DOI: 10.7270/Q2T153SV
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50235253
PNG
(CHEMBL4075394)
Show SMILES FC(F)(F)Oc1cccc(c1)-c1ncccc1CC(c1cccnc1)c1cccnc1
Show InChI InChI=1S/C24H18F3N3O/c25-24(26,27)31-21-9-1-5-17(13-21)23-18(6-4-12-30-23)14-22(19-7-2-10-28-15-19)20-8-3-11-29-16-20/h1-13,15-16,22H,14H2
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n/an/a 33n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 (unknown origin)


Bioorg Med Chem Lett 27: 1062-1069 (2017)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50194539
PNG
(4-(3-(2-fluorophenyl)propanamido)-N,N-diisopropyl-...)
Show SMILES CC(C)N(C(C)C)C(=O)C(C(CNC(=O)CCc1ccccc1F)c1ccccc1)c1cccnc1
Show InChI InChI=1S/C30H36FN3O2/c1-21(2)34(22(3)4)30(36)29(25-14-10-18-32-19-25)26(23-11-6-5-7-12-23)20-33-28(35)17-16-24-13-8-9-15-27(24)31/h5-15,18-19,21-22,26,29H,16-17,20H2,1-4H3,(H,33,35)
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n/an/a 36n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5


Bioorg Med Chem Lett 16: 5897-901 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.054
BindingDB Entry DOI: 10.7270/Q2Z60NP6
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50235254
PNG
(CHEMBL4095750)
Show SMILES COc1cccc(c1)-c1ncccc1CC(c1cccnc1)c1cccnc1
Show InChI InChI=1S/C24H21N3O/c1-28-22-10-2-6-18(14-22)24-19(7-5-13-27-24)15-23(20-8-3-11-25-16-20)21-9-4-12-26-17-21/h2-14,16-17,23H,15H2,1H3
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n/an/a 41n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 (unknown origin)


Bioorg Med Chem Lett 27: 1062-1069 (2017)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50235260
PNG
(CHEMBL4088894)
Show SMILES Nc1cccc(n1)C(Cc1cccnc1-c1cccc(c1)C(F)(F)F)c1cccnc1
Show InChI InChI=1S/C24H19F3N4/c25-24(26,27)19-8-1-5-16(13-19)23-17(6-4-12-30-23)14-20(18-7-3-11-29-15-18)21-9-2-10-22(28)31-21/h1-13,15,20H,14H2,(H2,28,31)
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n/an/a 56n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 (unknown origin)


Bioorg Med Chem Lett 27: 1062-1069 (2017)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50199068
PNG
(3-cyano-N-(2-hydroxyethyl)-6-methoxy-4-phenylisoqu...)
Show SMILES COc1ccc2c(nc(C#N)c(-c3ccccc3)c2c1)C(=O)NCCO
Show InChI InChI=1S/C20H17N3O3/c1-26-14-7-8-15-16(11-14)18(13-5-3-2-4-6-13)17(12-21)23-19(15)20(25)22-9-10-24/h2-8,11,24H,9-10H2,1H3,(H,22,25)
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n/an/a 60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.5 channel expressed in CHO cell membrane by HT clamp assay


J Med Chem 49: 6954-7 (2006)


Article DOI: 10.1021/jm060927v
BindingDB Entry DOI: 10.7270/Q2ST7PG7
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50235272
PNG
(CHEMBL4067665)
Show SMILES Nc1cccc(n1)C(Cc1cccnc1-c1cc(Cl)cc(Cl)c1)c1cccnc1
Show InChI InChI=1S/C23H18Cl2N4/c24-18-10-17(11-19(25)13-18)23-15(4-3-9-28-23)12-20(16-5-2-8-27-14-16)21-6-1-7-22(26)29-21/h1-11,13-14,20H,12H2,(H2,26,29)
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n/an/a 62n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 (unknown origin)


Bioorg Med Chem Lett 27: 1062-1069 (2017)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50235243
PNG
(CHEMBL4100226)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1ccccc1CC(c1cccnc1)c1cccnc1
Show InChI InChI=1S/C27H25N3O/c1-30(2)27(31)22-10-5-9-20(16-22)25-13-4-3-8-21(25)17-26(23-11-6-14-28-18-23)24-12-7-15-29-19-24/h3-16,18-19,26H,17H2,1-2H3
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n/an/a 64n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 (unknown origin)


Bioorg Med Chem Lett 27: 1062-1069 (2017)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50235246
PNG
(CHEMBL4097667)
Show SMILES C(C(c1cccnc1)c1cccnc1)c1ccccc1-c1cccnc1
Show InChI InChI=1S/C23H19N3/c1-2-10-22(19-7-3-11-24-15-19)18(6-1)14-23(20-8-4-12-25-16-20)21-9-5-13-26-17-21/h1-13,15-17,23H,14H2
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n/an/a 64n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 (unknown origin)


Bioorg Med Chem Lett 27: 1062-1069 (2017)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50235264
PNG
(CHEMBL4100098)
Show SMILES FC(F)(F)c1cccc(c1)-c1ncccc1CC(c1cccnc1)c1cccnc1
Show InChI InChI=1S/C24H18F3N3/c25-24(26,27)21-9-1-5-17(13-21)23-18(6-4-12-30-23)14-22(19-7-2-10-28-15-19)20-8-3-11-29-16-20/h1-13,15-16,22H,14H2
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n/an/a 84n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 (unknown origin)


Bioorg Med Chem Lett 27: 1062-1069 (2017)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50235271
PNG
(CHEMBL4094177)
Show SMILES OC(Cc1cccnc1-c1cc(Cl)cc(Cl)c1)(c1cccnc1)c1cccnc1
Show InChI InChI=1S/C23H17Cl2N3O/c24-20-10-17(11-21(25)12-20)22-16(4-1-9-28-22)13-23(29,18-5-2-7-26-14-18)19-6-3-8-27-15-19/h1-12,14-15,29H,13H2
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n/an/a 84n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 (unknown origin)


Bioorg Med Chem Lett 27: 1062-1069 (2017)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50235241
PNG
(CHEMBL4080304)
Show SMILES CN(c1cccnc1)c1ncccc1CC(c1cccnc1)c1cccnc1
Show InChI InChI=1S/C23H21N5/c1-28(21-9-5-12-26-17-21)23-18(6-4-13-27-23)14-22(19-7-2-10-24-15-19)20-8-3-11-25-16-20/h2-13,15-17,22H,14H2,1H3
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n/an/a 90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 (unknown origin)


Bioorg Med Chem Lett 27: 1062-1069 (2017)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50194512
PNG
(CHEMBL216955 | N,N-diisopropyl-3-phenyl-4-(3-pheny...)
Show SMILES CC(C)N(C(C)C)C(=O)C(C(CNC(=O)CC(C)c1ccccc1)c1ccccc1)c1cccnc1
Show InChI InChI=1S/C31H39N3O2/c1-22(2)34(23(3)4)31(36)30(27-17-12-18-32-20-27)28(26-15-10-7-11-16-26)21-33-29(35)19-24(5)25-13-8-6-9-14-25/h6-18,20,22-24,28,30H,19,21H2,1-5H3,(H,33,35)
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n/an/a 94n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5


Bioorg Med Chem Lett 16: 5897-901 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.054
BindingDB Entry DOI: 10.7270/Q2Z60NP6
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50194549
PNG
(CHEMBL217222 | N,N-diisopropyl-3-phenyl-4-(3-pheny...)
Show SMILES CC(C)N(C(C)C)C(=O)C(C(CNC(=O)CCc1ccccc1)c1ccccc1)c1cccnc1
Show InChI InChI=1S/C30H37N3O2/c1-22(2)33(23(3)4)30(35)29(26-16-11-19-31-20-26)27(25-14-9-6-10-15-25)21-32-28(34)18-17-24-12-7-5-8-13-24/h5-16,19-20,22-23,27,29H,17-18,21H2,1-4H3,(H,32,34)
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n/an/a 100n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5


Bioorg Med Chem Lett 16: 5897-901 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.054
BindingDB Entry DOI: 10.7270/Q2Z60NP6
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50235265
PNG
(CHEMBL4097545)
Show SMILES OC(C(c1cccnc1)c1cccnc1)c1cccnc1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C23H17Cl2N3O/c24-19-9-1-7-17(21(19)25)22-18(8-4-12-28-22)23(29)20(15-5-2-10-26-13-15)16-6-3-11-27-14-16/h1-14,20,23,29H
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n/an/a 110n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 (unknown origin)


Bioorg Med Chem Lett 27: 1062-1069 (2017)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50194510
PNG
(CHEMBL386441 | methyl 5-(diisopropylamino)-3-(3-(3...)
Show SMILES COC(=O)CC(C(C(=O)N(C(C)C)C(C)C)c1cccnc1)c1cccc(c1)-c1c(C)noc1C
Show InChI InChI=1S/C28H35N3O4/c1-17(2)31(18(3)4)28(33)27(23-12-9-13-29-16-23)24(15-25(32)34-7)21-10-8-11-22(14-21)26-19(5)30-35-20(26)6/h8-14,16-18,24,27H,15H2,1-7H3
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n/an/a 113n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5


Bioorg Med Chem Lett 16: 5897-901 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.054
BindingDB Entry DOI: 10.7270/Q2Z60NP6
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50235249
PNG
(CHEMBL4094185)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1ccc(F)cc1CC(c1cccnc1)c1cccnc1
Show InChI InChI=1S/C27H24FN3O/c1-31(2)27(32)20-7-3-6-19(14-20)25-11-10-24(28)15-23(25)16-26(21-8-4-12-29-17-21)22-9-5-13-30-18-22/h3-15,17-18,26H,16H2,1-2H3
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n/an/a 116n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 (unknown origin)


Bioorg Med Chem Lett 27: 1062-1069 (2017)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50199064
PNG
(2-{3-hydroxy-2-[(pyridin-3-ylmethyl)amino]propyl}-...)
Show SMILES COc1ccc2c(c1)c(-c1ccccc1)c(C#N)n(CC(CO)NCc1cccnc1)c2=O
Show InChI InChI=1S/C26H24N4O3/c1-33-21-9-10-22-23(12-21)25(19-7-3-2-4-8-19)24(13-27)30(26(22)32)16-20(17-31)29-15-18-6-5-11-28-14-18/h2-12,14,20,29,31H,15-17H2,1H3
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n/an/a 120n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.5 channel expressed in CHO cell membrane by HT clamp assay


J Med Chem 49: 6954-7 (2006)


Article DOI: 10.1021/jm060927v
BindingDB Entry DOI: 10.7270/Q2ST7PG7
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50235247
PNG
(CHEMBL4079636)
Show SMILES C(C(c1cccnc1)c1cccnc1)c1ccccc1-c1cncc2ccccc12
Show InChI InChI=1S/C27H21N3/c1-3-11-24(27-19-30-18-21-8-2-4-12-25(21)27)20(7-1)15-26(22-9-5-13-28-16-22)23-10-6-14-29-17-23/h1-14,16-19,26H,15H2
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n/an/a 133n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 (unknown origin)


Bioorg Med Chem Lett 27: 1062-1069 (2017)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50235266
PNG
(CHEMBL4068841)
Show SMILES Fc1ccc(CC(c2cccnc2)c2cccnc2)c(c1)-c1cccc(c1)C#N
Show InChI InChI=1S/C25H18FN3/c26-23-9-8-20(25(14-23)19-5-1-4-18(12-19)15-27)13-24(21-6-2-10-28-16-21)22-7-3-11-29-17-22/h1-12,14,16-17,24H,13H2
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n/an/a 136n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 (unknown origin)


Bioorg Med Chem Lett 27: 1062-1069 (2017)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50235269
PNG
(CHEMBL4072707)
Show SMILES Cc1cc(F)ccc1-c1ccccc1C(C#N)C(c1cccnc1)c1cccnc1
Show InChI InChI=1S/C26H20FN3/c1-18-14-21(27)10-11-22(18)23-8-2-3-9-24(23)25(15-28)26(19-6-4-12-29-16-19)20-7-5-13-30-17-20/h2-14,16-17,25-26H,1H3
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n/an/a 137n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 (unknown origin)


Bioorg Med Chem Lett 27: 1062-1069 (2017)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50194540
PNG
(CHEMBL217011 | methyl 3-(3-bromophenyl)-5-(diisopr...)
Show SMILES COC(=O)CC(C(C(=O)N(C(C)C)C(C)C)c1cccnc1)c1cccc(Br)c1
Show InChI InChI=1S/C23H29BrN2O3/c1-15(2)26(16(3)4)23(28)22(18-9-7-11-25-14-18)20(13-21(27)29-5)17-8-6-10-19(24)12-17/h6-12,14-16,20,22H,13H2,1-5H3
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n/an/a 137n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5


Bioorg Med Chem Lett 16: 5897-901 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.054
BindingDB Entry DOI: 10.7270/Q2Z60NP6
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50194514
PNG
(CHEMBL217921 | methyl 4-(3-bromophenyl)-5-(diisopr...)
Show SMILES COC(=O)CC(C(C(=O)N(C(C)C)C(C)C)c1cccc(Br)c1)c1cccnc1
Show InChI InChI=1S/C23H29BrN2O3/c1-15(2)26(16(3)4)23(28)22(17-8-6-10-19(24)12-17)20(13-21(27)29-5)18-9-7-11-25-14-18/h6-12,14-16,20,22H,13H2,1-5H3
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n/an/a 147n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5


Bioorg Med Chem Lett 16: 5897-901 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.054
BindingDB Entry DOI: 10.7270/Q2Z60NP6
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50235258
PNG
(CHEMBL4081003)
Show SMILES CC(=O)NC(C(c1cccnc1)c1cccnc1)c1ccccc1-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C26H21Cl2N3O/c1-17(32)31-26(25(18-6-4-10-29-15-18)19-7-5-11-30-16-19)24-9-3-2-8-23(24)20-12-21(27)14-22(28)13-20/h2-16,25-26H,1H3,(H,31,32)
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n/an/a 148n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 (unknown origin)


Bioorg Med Chem Lett 27: 1062-1069 (2017)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50194527
PNG
(4-(3-(2-fluorobenzyl)ureido)-N,N-diisopropyl-3-phe...)
Show SMILES CC(C)N(C(C)C)C(=O)C(C(CNC(=O)NCc1ccccc1F)c1ccccc1)c1cccnc1
Show InChI InChI=1S/C29H35FN4O2/c1-20(2)34(21(3)4)28(35)27(24-14-10-16-31-17-24)25(22-11-6-5-7-12-22)19-33-29(36)32-18-23-13-8-9-15-26(23)30/h5-17,20-21,25,27H,18-19H2,1-4H3,(H2,32,33,36)
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n/an/a 150n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5


Bioorg Med Chem Lett 16: 5897-901 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.054
BindingDB Entry DOI: 10.7270/Q2Z60NP6
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50235268
PNG
(CHEMBL4102309)
Show SMILES Nc1cccc(n1)C(C(O)c1cccnc1-c1cc(Cl)cc(Cl)c1)c1cccnc1
Show InChI InChI=1S/C23H18Cl2N4O/c24-16-10-15(11-17(25)12-16)22-18(5-3-9-28-22)23(30)21(14-4-2-8-27-13-14)19-6-1-7-20(26)29-19/h1-13,21,23,30H,(H2,26,29)
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n/an/a 153n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 (unknown origin)


Bioorg Med Chem Lett 27: 1062-1069 (2017)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50199066
PNG
(1-{[(2R)-2,3-dihydroxypropyl]oxy}-6-methoxy-4-phen...)
Show SMILES COc1ccc2c(OC[C@H](O)CO)nc(C#N)c(-c3ccccc3)c2c1
Show InChI InChI=1S/C20H18N2O4/c1-25-15-7-8-16-17(9-15)19(13-5-3-2-4-6-13)18(10-21)22-20(16)26-12-14(24)11-23/h2-9,14,23-24H,11-12H2,1H3/t14-/m1/s1
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n/an/a 160n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.5 channel expressed in CHO cell membrane by HT clamp assay


J Med Chem 49: 6954-7 (2006)


Article DOI: 10.1021/jm060927v
BindingDB Entry DOI: 10.7270/Q2ST7PG7
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50235256
PNG
(CHEMBL4080956)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1ncccc1CC(c1ccnc(N)n1)c1cccnc1F
Show InChI InChI=1S/C25H23FN6O/c1-32(2)24(33)18-7-3-6-16(14-18)22-17(8-4-11-28-22)15-20(19-9-5-12-29-23(19)26)21-10-13-30-25(27)31-21/h3-14,20H,15H2,1-2H3,(H2,27,30,31)
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n/an/a 161n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 (unknown origin)


Bioorg Med Chem Lett 27: 1062-1069 (2017)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50235261
PNG
(CHEMBL4061731)
Show SMILES OC(C(c1cccnc1)c1cccnc1)c1cccnc1-c1ccccc1Cl
Show InChI InChI=1S/C23H18ClN3O/c24-20-10-2-1-8-18(20)22-19(9-5-13-27-22)23(28)21(16-6-3-11-25-14-16)17-7-4-12-26-15-17/h1-15,21,23,28H
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n/an/a 171n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 (unknown origin)


Bioorg Med Chem Lett 27: 1062-1069 (2017)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50194517
PNG
(CHEMBL385737 | methyl 3-(3-cyanophenyl)-5-(diisopr...)
Show SMILES COC(=O)CC(C(C(=O)N(C(C)C)C(C)C)c1cccnc1)c1cccc(c1)C#N
Show InChI InChI=1S/C24H29N3O3/c1-16(2)27(17(3)4)24(29)23(20-10-7-11-26-15-20)21(13-22(28)30-5)19-9-6-8-18(12-19)14-25/h6-12,15-17,21,23H,13H2,1-5H3
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n/an/a 184n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5


Bioorg Med Chem Lett 16: 5897-901 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.054
BindingDB Entry DOI: 10.7270/Q2Z60NP6
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50199065
PNG
(3-((dimethylamino)methyl)-6-methoxy-2-methyl-4-phe...)
Show SMILES COc1ccc2c(c1)c(-c1ccccc1)c(CN(C)C)n(C)c2=O
Show InChI InChI=1S/C20H22N2O2/c1-21(2)13-18-19(14-8-6-5-7-9-14)17-12-15(24-4)10-11-16(17)20(23)22(18)3/h5-12H,13H2,1-4H3
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n/an/a 190n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.5 channel expressed in CHO cell membrane by HT clamp assay


J Med Chem 49: 6954-7 (2006)


Article DOI: 10.1021/jm060927v
BindingDB Entry DOI: 10.7270/Q2ST7PG7
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50235273
PNG
(CHEMBL4084347)
Show SMILES OC(Cc1cccnc1-c1cccc(c1)C(F)(F)F)(c1cccnc1F)c1cccnc1F
Show InChI InChI=1S/C24H16F5N3O/c25-21-18(8-3-11-31-21)23(33,19-9-4-12-32-22(19)26)14-16-6-2-10-30-20(16)15-5-1-7-17(13-15)24(27,28)29/h1-13,33H,14H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 (unknown origin)


Bioorg Med Chem Lett 27: 1062-1069 (2017)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50315564
PNG
(2-morpholino-1,1,2-triphenylethanol | CHEMBL109186...)
Show SMILES OC(C(N1CCOCC1)c1ccccc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H25NO2/c26-24(21-12-6-2-7-13-21,22-14-8-3-9-15-22)23(20-10-4-1-5-11-20)25-16-18-27-19-17-25/h1-15,23,26H,16-19H2
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n/an/a 204n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in CHO cells by whole cell patch clamp assay


Bioorg Med Chem Lett 20: 2493-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.005
BindingDB Entry DOI: 10.7270/Q2T153SV
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50315582
PNG
(2-phenyl-2-(piperidin-1-yl)-1,1-di(pyridin-3-yl)et...)
Show SMILES OC(C(N1CCCCC1)c1ccccc1)(c1cccnc1)c1cccnc1
Show InChI InChI=1S/C23H25N3O/c27-23(20-11-7-13-24-17-20,21-12-8-14-25-18-21)22(19-9-3-1-4-10-19)26-15-5-2-6-16-26/h1,3-4,7-14,17-18,22,27H,2,5-6,15-16H2
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n/an/a 206n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in CHO cells by whole cell patch clamp assay


Bioorg Med Chem Lett 20: 2493-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.005
BindingDB Entry DOI: 10.7270/Q2T153SV
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50194528
PNG
(CHEMBL411970 | methyl 3-(4-cyanophenyl)-5-(diisopr...)
Show SMILES COC(=O)CC(C(C(=O)N(C(C)C)C(C)C)c1cccnc1)c1ccc(cc1)C#N
Show InChI InChI=1S/C24H29N3O3/c1-16(2)27(17(3)4)24(29)23(20-7-6-12-26-15-20)21(13-22(28)30-5)19-10-8-18(14-25)9-11-19/h6-12,15-17,21,23H,13H2,1-5H3
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n/an/a 215n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5


Bioorg Med Chem Lett 16: 5897-901 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.054
BindingDB Entry DOI: 10.7270/Q2Z60NP6
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50235267
PNG
(CHEMBL4074029)
Show SMILES OC(C(c1cccnc1)c1ccccn1)c1cccnc1-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C23H17Cl2N3O/c24-17-11-16(12-18(25)13-17)22-19(6-4-10-28-22)23(29)21(15-5-3-8-26-14-15)20-7-1-2-9-27-20/h1-14,21,23,29H
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 (unknown origin)


Bioorg Med Chem Lett 27: 1062-1069 (2017)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50315578
PNG
(2-(diethylamino)-2-phenyl-1,1-di(pyridin-3-yl)etha...)
Show SMILES CCN(CC)C(c1ccccc1)C(O)(c1cccnc1)c1cccnc1
Show InChI InChI=1S/C22H25N3O/c1-3-25(4-2)21(18-10-6-5-7-11-18)22(26,19-12-8-14-23-16-19)20-13-9-15-24-17-20/h5-17,21,26H,3-4H2,1-2H3
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n/an/a 234n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in CHO cells by whole cell patch clamp assay


Bioorg Med Chem Lett 20: 2493-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.005
BindingDB Entry DOI: 10.7270/Q2T153SV
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50194524
PNG
(CHEMBL217291 | N,N-diisopropyl-4-(3-(4-methylbenzy...)
Show SMILES CC(C)N(C(C)C)C(=O)C(C(CNC(=O)NCc1ccc(C)cc1)c1ccccc1)c1cccnc1
Show InChI InChI=1S/C30H38N4O2/c1-21(2)34(22(3)4)29(35)28(26-12-9-17-31-19-26)27(25-10-7-6-8-11-25)20-33-30(36)32-18-24-15-13-23(5)14-16-24/h6-17,19,21-22,27-28H,18,20H2,1-5H3,(H2,32,33,36)
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n/an/a 240n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5


Bioorg Med Chem Lett 16: 5897-901 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.054
BindingDB Entry DOI: 10.7270/Q2Z60NP6
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50194544
PNG
(CHEMBL218128 | N1,N1-diisopropyl-3-phenyl-N5-(1-ph...)
Show SMILES CC(C)N(C(C)C)C(=O)C(C(CC(=O)NC(C)c1ccccc1)c1ccccc1)c1cccnc1
Show InChI InChI=1S/C30H37N3O2/c1-21(2)33(22(3)4)30(35)29(26-17-12-18-31-20-26)27(25-15-10-7-11-16-25)19-28(34)32-23(5)24-13-8-6-9-14-24/h6-18,20-23,27,29H,19H2,1-5H3,(H,32,34)
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n/an/a 249n/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
Inhibition of Kv1.5


Bioorg Med Chem Lett 16: 5897-901 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.054
BindingDB Entry DOI: 10.7270/Q2Z60NP6
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50194516
PNG
(CHEMBL217684 | N,N-diisopropyl-3-phenyl-4-(4-pheny...)
Show SMILES CC(C)N(C(C)C)C(=O)C(C(CNC(=O)CCCc1ccccc1)c1ccccc1)c1cccnc1
Show InChI InChI=1S/C31H39N3O2/c1-23(2)34(24(3)4)31(36)30(27-18-12-20-32-21-27)28(26-16-9-6-10-17-26)22-33-29(35)19-11-15-25-13-7-5-8-14-25/h5-10,12-14,16-18,20-21,23-24,28,30H,11,15,19,22H2,1-4H3,(H,33,35)
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n/an/a 250n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5


Bioorg Med Chem Lett 16: 5897-901 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.054
BindingDB Entry DOI: 10.7270/Q2Z60NP6
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50199069
PNG
(2-(2,3-dihydroxypropyl)-6-methoxy-1-oxo-4-[3-(trif...)
Show SMILES COc1ccc2c(c1)c(-c1cccc(c1)C(F)(F)F)c(C#N)n(CC(O)CO)c2=O
Show InChI InChI=1S/C21H17F3N2O4/c1-30-15-5-6-16-17(8-15)19(12-3-2-4-13(7-12)21(22,23)24)18(9-25)26(20(16)29)10-14(28)11-27/h2-8,14,27-28H,10-11H2,1H3
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n/an/a 250n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.5 channel expressed in CHO cell membrane by HT clamp assay


J Med Chem 49: 6954-7 (2006)


Article DOI: 10.1021/jm060927v
BindingDB Entry DOI: 10.7270/Q2ST7PG7
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50194531
PNG
(CHEMBL216086 | methyl 5-(diisopropylamino)-5-oxo-3...)
Show SMILES COC(=O)CC(C(C(=O)N(C(C)C)C(C)C)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H31NO3/c1-17(2)25(18(3)4)24(27)23(20-14-10-7-11-15-20)21(16-22(26)28-5)19-12-8-6-9-13-19/h6-15,17-18,21,23H,16H2,1-5H3
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n/an/a 252n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5


Bioorg Med Chem Lett 16: 5897-901 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.054
BindingDB Entry DOI: 10.7270/Q2Z60NP6
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50194547
PNG
(CHEMBL384780 | N,N-diisopropyl-4-(3-(3-methylbenzy...)
Show SMILES CC(C)N(C(C)C)C(=O)C(C(CNC(=O)NCc1cccc(C)c1)c1ccccc1)c1cccnc1
Show InChI InChI=1S/C30H38N4O2/c1-21(2)34(22(3)4)29(35)28(26-15-10-16-31-19-26)27(25-13-7-6-8-14-25)20-33-30(36)32-18-24-12-9-11-23(5)17-24/h6-17,19,21-22,27-28H,18,20H2,1-5H3,(H2,32,33,36)
PDB

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PubMed
n/an/a 252n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5


Bioorg Med Chem Lett 16: 5897-901 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.054
BindingDB Entry DOI: 10.7270/Q2Z60NP6
More data for this
Ligand-Target Pair
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