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PubMed code 23414837

Compile data set for download or QSAR
Found 35 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))		BDBM50430217
PNG
(CHEMBL2331989)
Show SMILES CC1=Nc2ccnn2[C@@H](C1c1ncnn1C1CCCC1)c1ccc(Cl)c(Cl)c1 |r,t:1|
Show InChI InChI=1S/C20H20Cl2N6/c1-12-18(20-23-11-25-27(20)14-4-2-3-5-14)19(28-17(26-12)8-9-24-28)13-6-7-15(21)16(22)10-13/h6-11,14,18-19H,2-5H2,1H3/t18?,19-/m1/s1
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n/an/a 37n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.5 expressed in mouse L929 cells assessed as inhibition of delayed rectifier repolarization current by patch clamp as...

Bioorg Med Chem Lett 23: 1743-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.064
BindingDB Entry DOI: 10.7270/Q2QN685H
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))		BDBM50430216
PNG
(CHEMBL2331990)
Show SMILES CC1=Nc2ccnn2[C@@H](C1c1ncnn1C1CCC1)c1ccc(Cl)c(Cl)c1 |r,t:1|
Show InChI InChI=1S/C19H18Cl2N6/c1-11-17(19-22-10-24-26(19)13-3-2-4-13)18(27-16(25-11)7-8-23-27)12-5-6-14(20)15(21)9-12/h5-10,13,17-18H,2-4H2,1H3/t17?,18-/m1/s1
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n/an/a 48n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.5 expressed in mouse L929 cells assessed as inhibition of delayed rectifier repolarization current by patch clamp as...

Bioorg Med Chem Lett 23: 1743-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.064
BindingDB Entry DOI: 10.7270/Q2QN685H
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))		BDBM50430219
PNG
(CHEMBL2331987)
Show SMILES CC1=Nc2ccnn2[C@@H](C1c1ncnn1C1CCCCC1)c1ccc(Cl)c(Cl)c1 |r,t:1|
Show InChI InChI=1S/C21H22Cl2N6/c1-13-19(21-24-12-26-28(21)15-5-3-2-4-6-15)20(29-18(27-13)9-10-25-29)14-7-8-16(22)17(23)11-14/h7-12,15,19-20H,2-6H2,1H3/t19?,20-/m1/s1
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n/an/a 59n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.5 expressed in mouse L929 cells assessed as inhibition of delayed rectifier repolarization current by patch clamp as...

Bioorg Med Chem Lett 23: 1743-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.064
BindingDB Entry DOI: 10.7270/Q2QN685H
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))		BDBM50430227
PNG
(CHEMBL2332455)
Show SMILES CC1=Nc2ccnn2[C@@H](C1c1ncnn1-c1ccccc1F)c1ccc(Cl)c(Cl)c1 |r,t:1|
Show InChI InChI=1S/C21H15Cl2FN6/c1-12-19(21-25-11-27-29(21)17-5-3-2-4-16(17)24)20(30-18(28-12)8-9-26-30)13-6-7-14(22)15(23)10-13/h2-11,19-20H,1H3/t19?,20-/m1/s1
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n/an/a 74n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.5 expressed in mouse L929 cells assessed as inhibition of delayed rectifier repolarization current by patch clamp as...

Bioorg Med Chem Lett 23: 1743-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.064
BindingDB Entry DOI: 10.7270/Q2QN685H
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))		BDBM50430225
PNG
(CHEMBL2332457)
Show SMILES CC1=Nc2ccnn2[C@@H](C1c1ncnn1-c1ccc(C)cc1)c1ccc(Cl)c(Cl)c1 |r,t:1|
Show InChI InChI=1S/C22H18Cl2N6/c1-13-3-6-16(7-4-13)29-22(25-12-27-29)20-14(2)28-19-9-10-26-30(19)21(20)15-5-8-17(23)18(24)11-15/h3-12,20-21H,1-2H3/t20?,21-/m1/s1
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n/an/a 80n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.5 expressed in mouse L929 cells assessed as inhibition of delayed rectifier repolarization current by patch clamp as...

Bioorg Med Chem Lett 23: 1743-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.064
BindingDB Entry DOI: 10.7270/Q2QN685H
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))		BDBM50430201
PNG
(CHEMBL2332448)
Show SMILES COc1cccc(n1)-n1ncnc1C1[C@@H](c2ccc(Cl)c(Cl)c2)n2nc(cc2N=C1C)C(F)(F)F |r,c:32|
Show InChI InChI=1S/C22H16Cl2F3N7O/c1-11-19(21-28-10-29-34(21)16-4-3-5-18(31-16)35-2)20(12-6-7-13(23)14(24)8-12)33-17(30-11)9-15(32-33)22(25,26)27/h3-10,19-20H,1-2H3/t19?,20-/m1/s1
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n/an/a 87n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.5 expressed in mouse L929 cells assessed as inhibition of delayed rectifier repolarization current by patch clamp as...

Bioorg Med Chem Lett 23: 1743-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.064
BindingDB Entry DOI: 10.7270/Q2QN685H
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))		BDBM50430220
PNG
(CHEMBL2331986)
Show SMILES CC(C)n1ncnc1C1[C@@H](c2ccc(Cl)c(Cl)c2)n2nccc2N=C1C |r,c:26|
Show InChI InChI=1S/C18H18Cl2N6/c1-10(2)25-18(21-9-23-25)16-11(3)24-15-6-7-22-26(15)17(16)12-4-5-13(19)14(20)8-12/h4-10,16-17H,1-3H3/t16?,17-/m1/s1
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n/an/a 89n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.5 expressed in mouse L929 cells assessed as inhibition of delayed rectifier repolarization current by patch clamp as...

Bioorg Med Chem Lett 23: 1743-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.064
BindingDB Entry DOI: 10.7270/Q2QN685H
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))		BDBM50430211
PNG
(CHEMBL2331996)
Show SMILES Cc1cc2N=C(C)C([C@@H](c3ccc(Cl)c(Cl)c3)n2n1)c1ncnn1C1CCC1 |r,t:4|
Show InChI InChI=1S/C20H20Cl2N6/c1-11-8-17-25-12(2)18(20-23-10-24-27(20)14-4-3-5-14)19(28(17)26-11)13-6-7-15(21)16(22)9-13/h6-10,14,18-19H,3-5H2,1-2H3/t18?,19-/m1/s1
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n/an/a 94n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.5 expressed in mouse L929 cells assessed as inhibition of delayed rectifier repolarization current by patch clamp as...

Bioorg Med Chem Lett 23: 1743-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.064
BindingDB Entry DOI: 10.7270/Q2QN685H
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))		BDBM50430206
PNG
(CHEMBL2332443)
Show SMILES CC1=Nc2cc(nn2[C@@H](C1c1ncnn1-c1cccc(n1)C(F)(F)F)c1ccc(Cl)c(Cl)c1)C(F)(F)F |r,t:1|
Show InChI InChI=1S/C22H13Cl2F6N7/c1-10-18(20-31-9-32-37(20)16-4-2-3-14(34-16)21(25,26)27)19(11-5-6-12(23)13(24)7-11)36-17(33-10)8-15(35-36)22(28,29)30/h2-9,18-19H,1H3/t18?,19-/m1/s1
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n/an/a 96n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.5 expressed in mouse L929 cells assessed as inhibition of delayed rectifier repolarization current by patch clamp as...

Bioorg Med Chem Lett 23: 1743-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.064
BindingDB Entry DOI: 10.7270/Q2QN685H
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))		BDBM50430228
PNG
(CHEMBL2332454)
Show SMILES CC1=Nc2ccnn2[C@@H](C1c1ncnn1-c1cccc(F)c1)c1ccc(Cl)c(Cl)c1 |r,t:1|
Show InChI InChI=1S/C21H15Cl2FN6/c1-12-19(21-25-11-27-29(21)15-4-2-3-14(24)10-15)20(30-18(28-12)7-8-26-30)13-5-6-16(22)17(23)9-13/h2-11,19-20H,1H3/t19?,20-/m1/s1
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n/an/a 97n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.5 expressed in mouse L929 cells assessed as inhibition of delayed rectifier repolarization current by patch clamp as...

Bioorg Med Chem Lett 23: 1743-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.064
BindingDB Entry DOI: 10.7270/Q2QN685H
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))		BDBM50430197
PNG
(CHEMBL2332452)
Show SMILES CCOCCn1ccnc1C1[C@@H](c2ccc(Cl)c(Cl)c2)n2nc(cc2N=C1C)C(F)(F)F |r,c:28|
Show InChI InChI=1S/C21H20Cl2F3N5O/c1-3-32-9-8-30-7-6-27-20(30)18-12(2)28-17-11-16(21(24,25)26)29-31(17)19(18)13-4-5-14(22)15(23)10-13/h4-7,10-11,18-19H,3,8-9H2,1-2H3/t18?,19-/m1/s1
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n/an/a 98n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.5 expressed in mouse L929 cells assessed as inhibition of delayed rectifier repolarization current by patch clamp as...

Bioorg Med Chem Lett 23: 1743-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.064
BindingDB Entry DOI: 10.7270/Q2QN685H
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))		BDBM50430221
PNG
(CHEMBL2331985)
Show SMILES CCCn1ncnc1C1[C@@H](c2ccc(Cl)c(Cl)c2)n2nccc2N=C1C |r,c:26|
Show InChI InChI=1S/C18H18Cl2N6/c1-3-8-25-18(21-10-23-25)16-11(2)24-15-6-7-22-26(15)17(16)12-4-5-13(19)14(20)9-12/h4-7,9-10,16-17H,3,8H2,1-2H3/t16?,17-/m1/s1
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n/an/a 102n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.5 expressed in mouse L929 cells assessed as inhibition of delayed rectifier repolarization current by patch clamp as...

Bioorg Med Chem Lett 23: 1743-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.064
BindingDB Entry DOI: 10.7270/Q2QN685H
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))		BDBM50430212
PNG
(CHEMBL2331994)
Show SMILES CC1=Nc2ccnn2[C@@H](C1c1ncnn1CCCC(F)(F)F)c1ccc(Cl)c(Cl)c1 |r,t:1|
Show InChI InChI=1S/C19H17Cl2F3N6/c1-11-16(18-25-10-27-29(18)8-2-6-19(22,23)24)17(30-15(28-11)5-7-26-30)12-3-4-13(20)14(21)9-12/h3-5,7,9-10,16-17H,2,6,8H2,1H3/t16?,17-/m1/s1
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n/an/a 103n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.5 expressed in mouse L929 cells assessed as inhibition of delayed rectifier repolarization current by patch clamp as...

Bioorg Med Chem Lett 23: 1743-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.064
BindingDB Entry DOI: 10.7270/Q2QN685H
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))		BDBM50430229
PNG
(CHEMBL2332453)
Show SMILES CC1=Nc2ccnn2[C@@H](C1c1ncnn1-c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 |r,t:1|
Show InChI InChI=1S/C21H15Cl2FN6/c1-12-19(21-25-11-27-29(21)15-5-3-14(24)4-6-15)20(30-18(28-12)8-9-26-30)13-2-7-16(22)17(23)10-13/h2-11,19-20H,1H3/t19?,20-/m1/s1
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n/an/a 115n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.5 expressed in mouse L929 cells assessed as inhibition of delayed rectifier repolarization current by patch clamp as...

Bioorg Med Chem Lett 23: 1743-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.064
BindingDB Entry DOI: 10.7270/Q2QN685H
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))		BDBM50430226
PNG
(CHEMBL2332456)
Show SMILES COc1ccccc1-n1ncnc1C1[C@@H](c2ccc(Cl)c(Cl)c2)n2nccc2N=C1C |r,c:32|
Show InChI InChI=1S/C22H18Cl2N6O/c1-13-20(22-25-12-27-29(22)17-5-3-4-6-18(17)31-2)21(30-19(28-13)9-10-26-30)14-7-8-15(23)16(24)11-14/h3-12,20-21H,1-2H3/t20?,21-/m1/s1
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n/an/a 116n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.5 expressed in mouse L929 cells assessed as inhibition of delayed rectifier repolarization current by patch clamp as...

Bioorg Med Chem Lett 23: 1743-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.064
BindingDB Entry DOI: 10.7270/Q2QN685H
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))		BDBM50430210
PNG
(CHEMBL2331997)
Show SMILES Cc1cc2N=C(C)C([C@@H](c3ccc(Cl)c(Cl)c3)n2n1)c1ncnn1C1CCCCC1 |r,t:4|
Show InChI InChI=1S/C22H24Cl2N6/c1-13-10-19-27-14(2)20(22-25-12-26-29(22)16-6-4-3-5-7-16)21(30(19)28-13)15-8-9-17(23)18(24)11-15/h8-12,16,20-21H,3-7H2,1-2H3/t20?,21-/m1/s1
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n/an/a 127n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.5 expressed in mouse L929 cells assessed as inhibition of delayed rectifier repolarization current by patch clamp as...

Bioorg Med Chem Lett 23: 1743-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.064
BindingDB Entry DOI: 10.7270/Q2QN685H
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))		BDBM50430199
PNG
(CHEMBL2332450)
Show SMILES CCn1ccnc1C1[C@@H](c2ccc(Cl)c(Cl)c2)n2nc(cc2N=C1C)C(F)(F)F |r,c:25|
Show InChI InChI=1S/C19H16Cl2F3N5/c1-3-28-7-6-25-18(28)16-10(2)26-15-9-14(19(22,23)24)27-29(15)17(16)11-4-5-12(20)13(21)8-11/h4-9,16-17H,3H2,1-2H3/t16?,17-/m1/s1
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n/an/a 128n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.5 expressed in mouse L929 cells assessed as inhibition of delayed rectifier repolarization current by patch clamp as...

Bioorg Med Chem Lett 23: 1743-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.064
BindingDB Entry DOI: 10.7270/Q2QN685H
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))		BDBM50430223
PNG
(CHEMBL2332465)
Show SMILES CC1=Nc2ccnn2[C@@H](C1c1ncnn1Cc1ccccc1)c1ccc(Cl)c(Cl)c1 |r,t:1|
Show InChI InChI=1S/C22H18Cl2N6/c1-14-20(22-25-13-27-29(22)12-15-5-3-2-4-6-15)21(30-19(28-14)9-10-26-30)16-7-8-17(23)18(24)11-16/h2-11,13,20-21H,12H2,1H3/t20?,21-/m1/s1
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n/an/a 135n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.5 expressed in mouse L929 cells assessed as inhibition of delayed rectifier repolarization current by patch clamp as...

Bioorg Med Chem Lett 23: 1743-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.064
BindingDB Entry DOI: 10.7270/Q2QN685H
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))		BDBM50430213
PNG
(CHEMBL2331993)
Show SMILES CC1=Nc2ccnn2[C@@H](C1c1ncnn1CCC(F)(F)F)c1ccc(Cl)c(Cl)c1 |r,t:1|
Show InChI InChI=1S/C18H15Cl2F3N6/c1-10-15(17-24-9-26-28(17)7-5-18(21,22)23)16(29-14(27-10)4-6-25-29)11-2-3-12(19)13(20)8-11/h2-4,6,8-9,15-16H,5,7H2,1H3/t15?,16-/m1/s1
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n/an/a 151n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.5 expressed in mouse L929 cells assessed as inhibition of delayed rectifier repolarization current by patch clamp as...

Bioorg Med Chem Lett 23: 1743-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.064
BindingDB Entry DOI: 10.7270/Q2QN685H
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))		BDBM50430208
PNG
(CHEMBL2331999)
Show SMILES CC1=Nc2cc(nn2[C@@H](C1c1ncnn1C1CCC1)c1ccc(Cl)c(Cl)c1)C(F)(F)F |r,t:1|
Show InChI InChI=1S/C20H17Cl2F3N6/c1-10-17(19-26-9-27-30(19)12-3-2-4-12)18(11-5-6-13(21)14(22)7-11)31-16(28-10)8-15(29-31)20(23,24)25/h5-9,12,17-18H,2-4H2,1H3/t17?,18-/m1/s1
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n/an/a 165n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.5 expressed in mouse L929 cells assessed as inhibition of delayed rectifier repolarization current by patch clamp as...

Bioorg Med Chem Lett 23: 1743-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.064
BindingDB Entry DOI: 10.7270/Q2QN685H
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))		BDBM50430205
PNG
(CHEMBL2332444)
Show SMILES CC1=Nc2cc(nn2[C@@H](C1c1ncnn1-c1cccc(Cl)n1)c1ccc(Cl)c(Cl)c1)C(F)(F)F |r,t:1|
Show InChI InChI=1S/C21H13Cl3F3N7/c1-10-18(20-28-9-29-34(20)16-4-2-3-15(24)31-16)19(11-5-6-12(22)13(23)7-11)33-17(30-10)8-14(32-33)21(25,26)27/h2-9,18-19H,1H3/t18?,19-/m1/s1
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n/an/a 190n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.5 expressed in mouse L929 cells assessed as inhibition of delayed rectifier repolarization current by patch clamp as...

Bioorg Med Chem Lett 23: 1743-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.064
BindingDB Entry DOI: 10.7270/Q2QN685H
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))		BDBM50430222
PNG
(CHEMBL2331984)
Show SMILES CCn1ncnc1C1[C@@H](c2ccc(Cl)c(Cl)c2)n2nccc2N=C1C |r,c:25|
Show InChI InChI=1S/C17H16Cl2N6/c1-3-24-17(20-9-22-24)15-10(2)23-14-6-7-21-25(14)16(15)11-4-5-12(18)13(19)8-11/h4-9,15-16H,3H2,1-2H3/t15?,16-/m1/s1
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n/an/a 191n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.5 expressed in mouse L929 cells assessed as inhibition of delayed rectifier repolarization current by patch clamp as...

Bioorg Med Chem Lett 23: 1743-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.064
BindingDB Entry DOI: 10.7270/Q2QN685H
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))		BDBM50430214
PNG
(CHEMBL2331992)
Show SMILES CC1=Nc2ccnn2[C@@H](C1c1ncnn1CC(F)(F)F)c1ccc(Cl)c(Cl)c1 |r,t:1|
Show InChI InChI=1S/C17H13Cl2F3N6/c1-9-14(16-23-8-25-27(16)7-17(20,21)22)15(28-13(26-9)4-5-24-28)10-2-3-11(18)12(19)6-10/h2-6,8,14-15H,7H2,1H3/t14?,15-/m1/s1
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n/an/a 200n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.5 expressed in mouse L929 cells assessed as inhibition of delayed rectifier repolarization current by patch clamp as...

Bioorg Med Chem Lett 23: 1743-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.064
BindingDB Entry DOI: 10.7270/Q2QN685H
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))		BDBM50430198
PNG
(CHEMBL2332451)
Show SMILES CC(C)n1ccnc1C1[C@@H](c2ccc(Cl)c(Cl)c2)n2nc(cc2N=C1C)C(F)(F)F |r,c:26|
Show InChI InChI=1S/C20H18Cl2F3N5/c1-10(2)29-7-6-26-19(29)17-11(3)27-16-9-15(20(23,24)25)28-30(16)18(17)12-4-5-13(21)14(22)8-12/h4-10,17-18H,1-3H3/t17?,18-/m1/s1
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n/an/a 204n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.5 expressed in mouse L929 cells assessed as inhibition of delayed rectifier repolarization current by patch clamp as...

Bioorg Med Chem Lett 23: 1743-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.064
BindingDB Entry DOI: 10.7270/Q2QN685H
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))		BDBM50430202
PNG
(CHEMBL2332447)
Show SMILES CC1=Nc2cc(nn2[C@@H](C1c1ncnn1-c1cccc(C)n1)c1ccc(Cl)c(Cl)c1)C(F)(F)F |r,t:1|
Show InChI InChI=1S/C22H16Cl2F3N7/c1-11-4-3-5-17(30-11)34-21(28-10-29-34)19-12(2)31-18-9-16(22(25,26)27)32-33(18)20(19)13-6-7-14(23)15(24)8-13/h3-10,19-20H,1-2H3/t19?,20-/m1/s1
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n/an/a 211n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.5 expressed in mouse L929 cells assessed as inhibition of delayed rectifier repolarization current by patch clamp as...

Bioorg Med Chem Lett 23: 1743-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.064
BindingDB Entry DOI: 10.7270/Q2QN685H
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))		BDBM50430218
PNG
(CHEMBL2331988)
Show SMILES CC1=Nc2ccnn2[C@@H](C1c1ncnn1C(C)(C)C)c1ccc(Cl)c(Cl)c1 |r,t:1|
Show InChI InChI=1S/C19H20Cl2N6/c1-11-16(18-22-10-24-27(18)19(2,3)4)17(26-15(25-11)7-8-23-26)12-5-6-13(20)14(21)9-12/h5-10,16-17H,1-4H3/t16?,17-/m1/s1
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n/an/a 223n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.5 expressed in mouse L929 cells assessed as inhibition of delayed rectifier repolarization current by patch clamp as...

Bioorg Med Chem Lett 23: 1743-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.064
BindingDB Entry DOI: 10.7270/Q2QN685H
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))		BDBM50430200
PNG
(CHEMBL2332449)
Show SMILES CCOc1cccc(n1)-n1ncnc1C1[C@@H](c2ccc(Cl)c(Cl)c2)n2nc(cc2N=C1C)C(F)(F)F |r,c:33|
Show InChI InChI=1S/C23H18Cl2F3N7O/c1-3-36-19-6-4-5-17(32-19)35-22(29-11-30-35)20-12(2)31-18-10-16(23(26,27)28)33-34(18)21(20)13-7-8-14(24)15(25)9-13/h4-11,20-21H,3H2,1-2H3/t20?,21-/m1/s1
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n/an/a 223n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.5 expressed in mouse L929 cells assessed as inhibition of delayed rectifier repolarization current by patch clamp as...

Bioorg Med Chem Lett 23: 1743-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.064
BindingDB Entry DOI: 10.7270/Q2QN685H
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))		BDBM50430215
PNG
(CHEMBL2331991)
Show SMILES CC1=Nc2ccnn2[C@@H](C1c1ncnn1CC1CC1)c1ccc(Cl)c(Cl)c1 |r,t:1|
Show InChI InChI=1S/C19H18Cl2N6/c1-11-17(19-22-10-24-26(19)9-12-2-3-12)18(27-16(25-11)6-7-23-27)13-4-5-14(20)15(21)8-13/h4-8,10,12,17-18H,2-3,9H2,1H3/t17?,18-/m1/s1
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n/an/a 229n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.5 expressed in mouse L929 cells assessed as inhibition of delayed rectifier repolarization current by patch clamp as...

Bioorg Med Chem Lett 23: 1743-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.064
BindingDB Entry DOI: 10.7270/Q2QN685H
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))		BDBM50430207
PNG
(CHEMBL2332442)
Show SMILES CC1=Nc2cc(nn2[C@@H](C1c1ncnn1-c1cccc(F)n1)c1ccc(Cl)c(Cl)c1)C(F)(F)F |r,t:1|
Show InChI InChI=1S/C21H13Cl2F4N7/c1-10-18(20-28-9-29-34(20)16-4-2-3-15(24)31-16)19(11-5-6-12(22)13(23)7-11)33-17(30-10)8-14(32-33)21(25,26)27/h2-9,18-19H,1H3/t18?,19-/m1/s1
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n/an/a 256n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.5 expressed in mouse L929 cells assessed as inhibition of delayed rectifier repolarization current by patch clamp as...

Bioorg Med Chem Lett 23: 1743-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.064
BindingDB Entry DOI: 10.7270/Q2QN685H
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))		BDBM50430209
PNG
(CHEMBL2331998)
Show SMILES CC1=Nc2cc(nn2[C@@H](C1c1ncnn1C1CCC1)c1ccc(Cl)c(Cl)c1)C(C)(C)C |r,t:1|
Show InChI InChI=1S/C23H26Cl2N6/c1-13-20(22-26-12-27-30(22)15-6-5-7-15)21(14-8-9-16(24)17(25)10-14)31-19(28-13)11-18(29-31)23(2,3)4/h8-12,15,20-21H,5-7H2,1-4H3/t20?,21-/m1/s1
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n/an/a 283n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.5 expressed in mouse L929 cells assessed as inhibition of delayed rectifier repolarization current by patch clamp as...

Bioorg Med Chem Lett 23: 1743-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.064
BindingDB Entry DOI: 10.7270/Q2QN685H
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))		BDBM50430203
PNG
(CHEMBL2332446)
Show SMILES CC1=Nc2cc(nn2[C@@H](C1c1ncnn1-c1ccc(C)cn1)c1ccc(Cl)c(Cl)c1)C(F)(F)F |r,t:1|
Show InChI InChI=1S/C22H16Cl2F3N7/c1-11-3-6-17(28-9-11)34-21(29-10-30-34)19-12(2)31-18-8-16(22(25,26)27)32-33(18)20(19)13-4-5-14(23)15(24)7-13/h3-10,19-20H,1-2H3/t19?,20-/m1/s1
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n/an/a 389n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.5 expressed in mouse L929 cells assessed as inhibition of delayed rectifier repolarization current by patch clamp as...

Bioorg Med Chem Lett 23: 1743-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.064
BindingDB Entry DOI: 10.7270/Q2QN685H
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))		BDBM50430204
PNG
(CHEMBL2332445)
Show SMILES CC1=Nc2cc(nn2[C@@H](C1c1ncnn1-c1cc(C)ccn1)c1ccc(Cl)c(Cl)c1)C(F)(F)F |r,t:1|
Show InChI InChI=1S/C22H16Cl2F3N7/c1-11-5-6-28-17(7-11)34-21(29-10-30-34)19-12(2)31-18-9-16(22(25,26)27)32-33(18)20(19)13-3-4-14(23)15(24)8-13/h3-10,19-20H,1-2H3/t19?,20-/m1/s1
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n/an/a 410n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.5 expressed in mouse L929 cells assessed as inhibition of delayed rectifier repolarization current by patch clamp as...

Bioorg Med Chem Lett 23: 1743-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.064
BindingDB Entry DOI: 10.7270/Q2QN685H
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))		BDBM50430196
PNG
(CHEMBL2331983)
Show SMILES CC1=Nc2cc(nn2[C@@H](C1c1ncnn1C1CCC(CC1)C(F)(F)F)c1ccc(Cl)c(Cl)c1)C(F)(F)F |r,wD:8.28,t:1,(14.72,-52.17,;13.69,-53.31,;14.15,-54.76,;13.12,-55.89,;13.28,-57.42,;11.87,-58.03,;10.86,-56.88,;11.63,-55.57,;11.16,-54.1,;12.2,-52.98,;11.61,-51.07,;10.16,-50.59,;10.16,-49.07,;11.62,-48.61,;12.53,-49.85,;14.08,-49.85,;14.85,-51.21,;16.4,-51.22,;17.19,-49.87,;16.41,-48.51,;14.86,-48.51,;18.74,-49.87,;19.51,-51.22,;19.52,-48.53,;20.28,-49.87,;9.67,-53.77,;9.21,-52.31,;7.72,-51.98,;6.67,-53.11,;5.17,-52.78,;7.16,-54.59,;6.15,-55.73,;8.63,-54.91,;11.54,-59.55,;10.06,-60.01,;12.68,-60.59,;11.12,-61.04,)|
Show InChI InChI=1S/C23H20Cl2F6N6/c1-11-19(21-32-10-33-36(21)14-5-3-13(4-6-14)22(26,27)28)20(12-2-7-15(24)16(25)8-12)37-18(34-11)9-17(35-37)23(29,30)31/h2,7-10,13-14,19-20H,3-6H2,1H3/t13?,14?,19?,20-/m1/s1
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n/an/a 607n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.5 expressed in mouse L929 cells assessed as inhibition of delayed rectifier repolarization current by patch clamp as...

Bioorg Med Chem Lett 23: 1743-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.064
BindingDB Entry DOI: 10.7270/Q2QN685H
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))		BDBM50430196
PNG
(CHEMBL2331983)
Show SMILES CC1=Nc2cc(nn2[C@@H](C1c1ncnn1C1CCC(CC1)C(F)(F)F)c1ccc(Cl)c(Cl)c1)C(F)(F)F |r,wD:8.28,t:1,(14.72,-52.17,;13.69,-53.31,;14.15,-54.76,;13.12,-55.89,;13.28,-57.42,;11.87,-58.03,;10.86,-56.88,;11.63,-55.57,;11.16,-54.1,;12.2,-52.98,;11.61,-51.07,;10.16,-50.59,;10.16,-49.07,;11.62,-48.61,;12.53,-49.85,;14.08,-49.85,;14.85,-51.21,;16.4,-51.22,;17.19,-49.87,;16.41,-48.51,;14.86,-48.51,;18.74,-49.87,;19.51,-51.22,;19.52,-48.53,;20.28,-49.87,;9.67,-53.77,;9.21,-52.31,;7.72,-51.98,;6.67,-53.11,;5.17,-52.78,;7.16,-54.59,;6.15,-55.73,;8.63,-54.91,;11.54,-59.55,;10.06,-60.01,;12.68,-60.59,;11.12,-61.04,)|
Show InChI InChI=1S/C23H20Cl2F6N6/c1-11-19(21-32-10-33-36(21)14-5-3-13(4-6-14)22(26,27)28)20(12-2-7-15(24)16(25)8-12)37-18(34-11)9-17(35-37)23(29,30)31/h2,7-10,13-14,19-20H,3-6H2,1H3/t13?,14?,19?,20-/m1/s1
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n/an/a 607n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.5 expressed in mouse L929 cells assessed as inhibition of delayed rectifier repolarization current by patch clamp as...

Bioorg Med Chem Lett 23: 1743-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.064
BindingDB Entry DOI: 10.7270/Q2QN685H
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))		BDBM50430224
PNG
(CHEMBL2332461)
Show SMILES Cc1cc2N=C(C)C([C@@H](c3ccc(Cl)c(Cl)c3)n2n1)c1ncn(n1)-c1ccccc1C |r,t:4|
Show InChI InChI=1S/C23H20Cl2N6/c1-13-6-4-5-7-19(13)30-12-26-23(29-30)21-15(3)27-20-10-14(2)28-31(20)22(21)16-8-9-17(24)18(25)11-16/h4-12,21-22H,1-3H3/t21?,22-/m1/s1
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n/an/a 722n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.5 expressed in mouse L929 cells assessed as inhibition of delayed rectifier repolarization current by patch clamp as...

Bioorg Med Chem Lett 23: 1743-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.064
BindingDB Entry DOI: 10.7270/Q2QN685H
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%