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Compile Data Set for Download or QSAR

Found 749 hits of ic50 data for polymerid = 50006924,8281   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Hexokinase-2


(Homo sapiens (Human))
BDBM50169042
PNG
(CHEMBL3806103)
Show SMILES OC1O[C@H](CNS(=O)(=O)c2cccc(Cl)c2Cl)[C@@H](O)[C@H](O)[C@H]1NS(=O)(=O)c1cccc(c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H23Cl3N2O8S2/c25-15-9-7-13(8-10-15)14-3-1-4-16(11-14)38(33,34)29-21-23(31)22(30)18(37-24(21)32)12-28-39(35,36)19-6-2-5-17(26)20(19)27/h1-11,18,21-24,28-32H,12H2/t18-,21-,22-,23-,24?/m1/s1
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n/an/a 7.90n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human HK2 (17 to 916 residues) expressed in Escherichia coli BL21(DE3) using glucose as substrate after 45 mins by ADP-glo a...


ACS Med Chem Lett 7: 217-22 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00214
BindingDB Entry DOI: 10.7270/Q2PR7XWW
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 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
Hexokinase-2


(Homo sapiens (Human))
BDBM50169037
PNG
(CHEMBL3805205)
Show SMILES Cc1oc(cc1C(O)=O)S(=O)(=O)NC[C@H]1OC(O)[C@H](NC(=O)c2cccc(Br)c2)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C19H21BrN2O10S/c1-8-11(18(26)27)6-13(31-8)33(29,30)21-7-12-15(23)16(24)14(19(28)32-12)22-17(25)9-3-2-4-10(20)5-9/h2-6,12,14-16,19,21,23-24,28H,7H2,1H3,(H,22,25)(H,26,27)/t12-,14-,15-,16-,19?/m1/s1
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n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human HK2 (17 to 916 residues) expressed in Escherichia coli BL21(DE3) using glucose as substrate after 45 mins by ADP-glo a...


ACS Med Chem Lett 7: 217-22 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00214
BindingDB Entry DOI: 10.7270/Q2PR7XWW
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 subunit Kv1.5


(Homo sapiens (Human))
BDBM50301472
PNG
(7-(3,4-dichlorophenyl)-6-(5-fluoro-1-methyl-1H-ben...)
Show SMILES CC1=Nc2ccnn2C(C1c1nc2cc(F)ccc2n1C)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H16Cl2FN5/c1-11-19(21-27-16-10-13(24)4-6-17(16)28(21)2)20(29-18(26-11)7-8-25-29)12-3-5-14(22)15(23)9-12/h3-10,19-20H,1-2H3
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n/an/a 15n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in mouse L929 cells


Bioorg Med Chem Lett 19: 5469-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.083
BindingDB Entry DOI: 10.7270/Q24M94M6
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50194360
PNG
((E)-thyl-1-methyl-6,7-dihydro-1H-indol-4(5H)-one O...)
Show SMILES CCc1c(CC)n(C)c2CCCC(=NOC(=O)Nc3ccccc3)c12
Show InChI InChI=1S/C20H25N3O2/c1-4-15-17(5-2)23(3)18-13-9-12-16(19(15)18)22-25-20(24)21-14-10-7-6-8-11-14/h6-8,10-11H,4-5,9,12-13H2,1-3H3,(H,21,24)
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n/an/a 21n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 expressed in LTK- cells by whole cell patch clamp assay


Bioorg Med Chem Lett 16: 5855-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.059
BindingDB Entry DOI: 10.7270/Q2057FJJ
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50022107
PNG
(CHEMBL3298226)
Show SMILES COc1cccc2ccnc(NCC(C)(C)c3ccccc3)c12
Show InChI InChI=1S/C20H22N2O/c1-20(2,16-9-5-4-6-10-16)14-22-19-18-15(12-13-21-19)8-7-11-17(18)23-3/h4-13H,14H2,1-3H3,(H,21,22)
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n/an/a 22n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 expressed in mouse L929 cells assessed as inhibition of current


Bioorg Med Chem Lett 24: 3018-22 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.035
BindingDB Entry DOI: 10.7270/Q2HH6MNP
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50022108
PNG
(CHEMBL3298228)
Show SMILES COc1cccc2nc(O)nc(NCC(C)(C)c3ccccc3)c12
Show InChI InChI=1S/C19H21N3O2/c1-19(2,13-8-5-4-6-9-13)12-20-17-16-14(21-18(23)22-17)10-7-11-15(16)24-3/h4-11H,12H2,1-3H3,(H2,20,21,22,23)
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n/an/a 23n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 expressed in mouse L929 cells assessed as inhibition of current


Bioorg Med Chem Lett 24: 3018-22 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.035
BindingDB Entry DOI: 10.7270/Q2HH6MNP
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 subunit Kv1.5


(Homo sapiens (Human))
BDBM50120918
PNG
(CHEMBL3356073)
Show SMILES COc1cccc2snc(NCC(C)(C)c3ccccc3)c12
Show InChI InChI=1S/C18H20N2OS/c1-18(2,13-8-5-4-6-9-13)12-19-17-16-14(21-3)10-7-11-15(16)22-20-17/h4-11H,12H2,1-3H3,(H,19,20)
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n/an/a 24n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human KV1.5 expressed in mouse L929 cells assessed as decrease in ultrarapid potassium current amplitude


Bioorg Med Chem Lett 25: 4983-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.066
BindingDB Entry DOI: 10.7270/Q2HH6MWT
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50022109
PNG
(CHEMBL3298224)
Show SMILES CCc1cccc2snc(NCC(C)(C)c3ccccc3)c12
Show InChI InChI=1S/C19H22N2S/c1-4-14-9-8-12-16-17(14)18(21-22-16)20-13-19(2,3)15-10-6-5-7-11-15/h5-12H,4,13H2,1-3H3,(H,20,21)
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n/an/a 25n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 expressed in mouse L929 cells assessed as inhibition of current


Bioorg Med Chem Lett 24: 3018-22 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.035
BindingDB Entry DOI: 10.7270/Q2HH6MNP
More data for this
Ligand-Target Pair
Hexokinase-2


(Homo sapiens (Human))
BDBM50169041
PNG
(CHEMBL3805653)
Show SMILES OC1O[C@H](CNS(=O)(=O)c2cccc(Cl)c2Cl)[C@@H](O)[C@H](O)[C@H]1NS(=O)(=O)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C24H24Cl2N2O8S2/c25-17-10-5-11-19(20(17)26)38(34,35)27-13-18-22(29)23(30)21(24(31)36-18)28-37(32,33)16-9-4-8-15(12-16)14-6-2-1-3-7-14/h1-12,18,21-24,27-31H,13H2/t18-,21-,22-,23-,24?/m1/s1
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n/an/a 25n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human HK2 (17 to 916 residues) expressed in Escherichia coli BL21(DE3) using glucose as substrate after 45 mins by ADP-glo a...


ACS Med Chem Lett 7: 217-22 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00214
BindingDB Entry DOI: 10.7270/Q2PR7XWW
More data for this
Ligand-Target Pair
Hexokinase-2


(Homo sapiens (Human))
BDBM50169038
PNG
(CHEMBL3804841)
Show SMILES COc1cc(cc(c1)-c1ccc(cc1)C#N)C(=O)N[C@H]1C(O)O[C@H](CNS(=O)(=O)c2cccc(Cl)c2Cl)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C27H25Cl2N3O8S/c1-39-18-10-16(15-7-5-14(12-30)6-8-15)9-17(11-18)26(35)32-23-25(34)24(33)20(40-27(23)36)13-31-41(37,38)21-4-2-3-19(28)22(21)29/h2-11,20,23-25,27,31,33-34,36H,13H2,1H3,(H,32,35)/t20-,23-,24-,25-,27?/m1/s1
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n/an/a 25n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human HK2 (17 to 916 residues) expressed in Escherichia coli BL21(DE3) using glucose as substrate after 45 mins by ADP-glo a...


ACS Med Chem Lett 7: 217-22 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00214
BindingDB Entry DOI: 10.7270/Q2PR7XWW
More data for this
Ligand-Target Pair
Hexokinase-2


(Homo sapiens (Human))
BDBM50169031
PNG
(CHEMBL3805905)
Show SMILES OC1O[C@H](CNS(=O)(=O)c2cccc(Cl)c2Cl)[C@@H](O)[C@H](O)[C@H]1NC(=O)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C25H24Cl2N2O7S/c26-17-10-5-11-19(20(17)27)37(34,35)28-13-18-22(30)23(31)21(25(33)36-18)29-24(32)16-9-4-8-15(12-16)14-6-2-1-3-7-14/h1-12,18,21-23,25,28,30-31,33H,13H2,(H,29,32)/t18-,21-,22-,23-,25?/m1/s1
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n/an/a 25n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human HK2 (17 to 916 residues) expressed in Escherichia coli BL21(DE3) using glucose as substrate after 45 mins by ADP-glo a...


ACS Med Chem Lett 7: 217-22 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00214
BindingDB Entry DOI: 10.7270/Q2PR7XWW
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 subunit Kv1.5


(Homo sapiens (Human))
BDBM50120913
PNG
(CHEMBL3622361)
Show SMILES COc1cccc2c1C(NC[C@@]1(CC[C@@H](CC1)NC(=O)OCC(F)(F)F)c1ccccc1)=NS2(=O)=O
Show InChI InChI=1S/C24H26F3N3O5S/c1-34-18-8-5-9-19-20(18)21(30-36(19,32)33)28-14-23(16-6-3-2-4-7-16)12-10-17(11-13-23)29-22(31)35-15-24(25,26)27/h2-9,17H,10-15H2,1H3,(H,28,30)(H,29,31)/t17-,23-
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n/an/a 28n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human KV1.5 expressed in mouse L929 cells assessed as decrease in ultrarapid potassium current amplitude


Bioorg Med Chem Lett 25: 4983-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.066
BindingDB Entry DOI: 10.7270/Q2HH6MWT
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 subunit Kv1.5


(Homo sapiens (Human))
BDBM50301473
PNG
(7-(3,4-dichlorophenyl)-6-(5-fluoro-1-methyl-1H-ben...)
Show SMILES COCC1=Nc2ccnn2C(C1c1nc2cc(F)ccc2n1C)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H18Cl2FN5O/c1-29-18-6-4-13(25)10-16(18)28-22(29)20-17(11-31-2)27-19-7-8-26-30(19)21(20)12-3-5-14(23)15(24)9-12/h3-10,20-21H,11H2,1-2H3
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n/an/a 30n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in mouse L929 cells


Bioorg Med Chem Lett 19: 5469-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.083
BindingDB Entry DOI: 10.7270/Q24M94M6
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50120899
PNG
(CHEMBL3622355)
Show SMILES COc1cccc2c1C(NC[C@@]1(CC[C@@H](CC1)OC(=O)Nc1ccc(cc1)N(C)C)c1ccccc1)=NS2(=O)=O
Show InChI InChI=1S/C30H34N4O5S/c1-34(2)23-14-12-22(13-15-23)32-29(35)39-24-16-18-30(19-17-24,21-8-5-4-6-9-21)20-31-28-27-25(38-3)10-7-11-26(27)40(36,37)33-28/h4-15,24H,16-20H2,1-3H3,(H,31,33)(H,32,35)/t24-,30-
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n/an/a 30n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human KV1.5 expressed in mouse L929 cells assessed as decrease in ultrarapid potassium current amplitude


Bioorg Med Chem Lett 25: 4983-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.066
BindingDB Entry DOI: 10.7270/Q2HH6MWT
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50120908
PNG
(CHEMBL3623054)
Show SMILES COc1cccc2c1C(NC[C@@]1(CC[C@@H](CC1)n1cnnn1)c1ccccc1)=NS2(=O)=O
Show InChI InChI=1S/C22H24N6O3S/c1-31-18-8-5-9-19-20(18)21(25-32(19,29)30)23-14-22(16-6-3-2-4-7-16)12-10-17(11-13-22)28-15-24-26-27-28/h2-9,15,17H,10-14H2,1H3,(H,23,25)/t17-,22-
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n/an/a 32n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human KV1.5 expressed in mouse L929 cells assessed as decrease in ultrarapid potassium current amplitude


Bioorg Med Chem Lett 25: 4983-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.066
BindingDB Entry DOI: 10.7270/Q2HH6MWT
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))
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
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 33n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in mouse L929 cells


Bioorg Med Chem Lett 17: 3271-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.020
BindingDB Entry DOI: 10.7270/Q2S75G0V
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(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
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 33n/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
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50120917
PNG
(CHEMBL3356074)
Show SMILES COc1cccc2C(=O)N=C(NCC(C)(C)c3ccccc3)c12
Show InChI InChI=1S/C19H20N2O2/c1-19(2,13-8-5-4-6-9-13)12-20-17-16-14(18(22)21-17)10-7-11-15(16)23-3/h4-11H,12H2,1-3H3,(H,20,21,22)
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n/an/a 34n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human KV1.5 expressed in mouse L929 cells assessed as decrease in ultrarapid potassium current amplitude


Bioorg Med Chem Lett 25: 4983-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.066
BindingDB Entry DOI: 10.7270/Q2HH6MWT
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50120904
PNG
(CHEMBL3622346)
Show SMILES COc1cccc2c1C(NC[C@@]1(CC[C@H](O)CC1)c1ccccc1)=NS2(=O)=O
Show InChI InChI=1S/C21H24N2O4S/c1-27-17-8-5-9-18-19(17)20(23-28(18,25)26)22-14-21(12-10-16(24)11-13-21)15-6-3-2-4-7-15/h2-9,16,24H,10-14H2,1H3,(H,22,23)/t16-,21-
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n/an/a 34n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human KV1.5 expressed in mouse L929 cells assessed as decrease in ultrarapid potassium current amplitude


Bioorg Med Chem Lett 25: 4983-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.066
BindingDB Entry DOI: 10.7270/Q2HH6MWT
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 subunit Kv1.5


(Homo sapiens (Human))
BDBM50430217
PNG
(CHEMBL2331989)
Show SMILES CC1=Nc2ccnn2[C@@H](C1c1ncnn1C1CCCC1)c1ccc(Cl)c(Cl)c1
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
Hexokinase-2


(Homo sapiens (Human))
BDBM50169039
PNG
(CHEMBL3806132)
Show SMILES OC1O[C@H](CNS(=O)(=O)c2cccc(Cl)c2Cl)[C@@H](O)[C@H](O)[C@H]1NC(=O)c1ccc(Cl)s1
Show InChI InChI=1S/C17H17Cl3N2O7S2/c18-7-2-1-3-10(12(7)20)31(27,28)21-6-8-14(23)15(24)13(17(26)29-8)22-16(25)9-4-5-11(19)30-9/h1-5,8,13-15,17,21,23-24,26H,6H2,(H,22,25)/t8-,13-,14-,15-,17?/m1/s1
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n/an/a 40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human HK2 (17 to 916 residues) expressed in Escherichia coli BL21(DE3) using glucose as substrate after 45 mins by ADP-glo a...


ACS Med Chem Lett 7: 217-22 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00214
BindingDB Entry DOI: 10.7270/Q2PR7XWW
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 subunit Kv1.5


(Homo sapiens (Human))
BDBM50022110
PNG
(CHEMBL3298140)
Show SMILES COc1cccc2onc(NCC(C)(C)c3ccccc3)c12
Show InChI InChI=1S/C18H20N2O2/c1-18(2,13-8-5-4-6-9-13)12-19-17-16-14(21-3)10-7-11-15(16)22-20-17/h4-11H,12H2,1-3H3,(H,19,20)
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n/an/a 43n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human KV1.5 expressed in mouse L929 cells assessed as decrease in ultrarapid potassium current amplitude


Bioorg Med Chem Lett 25: 4983-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.066
BindingDB Entry DOI: 10.7270/Q2HH6MWT
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50022110
PNG
(CHEMBL3298140)
Show SMILES COc1cccc2onc(NCC(C)(C)c3ccccc3)c12
Show InChI InChI=1S/C18H20N2O2/c1-18(2,13-8-5-4-6-9-13)12-19-17-16-14(21-3)10-7-11-15(16)22-20-17/h4-11H,12H2,1-3H3,(H,19,20)
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n/an/a 43n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 expressed in mouse L929 cells assessed as inhibition of current


Bioorg Med Chem Lett 24: 3018-22 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.035
BindingDB Entry DOI: 10.7270/Q2HH6MNP
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50239227
PNG
(CHEMBL4094440)
Show SMILES NS(=O)(=O)c1cncc(c1)-c1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1
Show InChI InChI=1S/C25H20N6O2S/c26-34(32,33)20-13-18(14-27-16-20)24-30-22-11-6-10-21(17-7-2-1-3-8-17)23(22)25(31-24)29-15-19-9-4-5-12-28-19/h1-14,16H,15H2,(H2,26,32,33)(H,29,30,31)
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n/an/a 46n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Kv1.5 expressed in mouse L929 cells by patch clamp assay


J Med Chem 60: 3795-3803 (2017)

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


(Homo sapiens (Human))
BDBM50376745
PNG
(CHEMBL260684)
Show SMILES CCc1ccc(cc1)S(=O)(=O)N[C@H]1CCCc2ccc(cc12)N(Cc1cccc(C)n1)C(=O)CCc1ccccc1
Show InChI InChI=1S/C34H37N3O3S/c1-3-26-15-20-31(21-16-26)41(39,40)36-33-14-8-12-28-18-19-30(23-32(28)33)37(24-29-13-7-9-25(2)35-29)34(38)22-17-27-10-5-4-6-11-27/h4-7,9-11,13,15-16,18-21,23,33,36H,3,8,12,14,17,22,24H2,1-2H3/t33-/m0/s1
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n/an/a 46n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in mouse L929 cells assessed as blockade of ultra rapidly activating potassium current by volatge clamp t...


Bioorg Med Chem Lett 18: 2714-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.026
BindingDB Entry DOI: 10.7270/Q2QC04DZ
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50120907
PNG
(CHEMBL3623053)
Show SMILES COc1cccc2c1C(NC[C@@]1(CC[C@@H](CC1)Nc1ncccn1)c1ccccc1)=NS2(=O)=O
Show InChI InChI=1S/C25H27N5O3S/c1-33-20-9-5-10-21-22(20)23(30-34(21,31)32)28-17-25(18-7-3-2-4-8-18)13-11-19(12-14-25)29-24-26-15-6-16-27-24/h2-10,15-16,19H,11-14,17H2,1H3,(H,28,30)(H,26,27,29)/t19-,25-
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n/an/a 47n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human KV1.5 expressed in mouse L929 cells assessed as decrease in ultrarapid potassium current amplitude


Bioorg Med Chem Lett 25: 4983-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.066
BindingDB Entry DOI: 10.7270/Q2HH6MWT
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50301471
PNG
(7-(3,4-dichlorophenyl)-6-(5-fluoro-1-propyl-1H-ben...)
Show SMILES CCCn1c(nc2cc(F)ccc12)C1C(c2ccc(Cl)c(Cl)c2)n2nccc2N=C1C
Show InChI InChI=1S/C23H20Cl2FN5/c1-3-10-30-19-7-5-15(26)12-18(19)29-23(30)21-13(2)28-20-8-9-27-31(20)22(21)14-4-6-16(24)17(25)11-14/h4-9,11-12,21-22H,3,10H2,1-2H3
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n/an/a 48n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in mouse L929 cells


Bioorg Med Chem Lett 19: 5469-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.083
BindingDB Entry DOI: 10.7270/Q24M94M6
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50430216
PNG
(CHEMBL2331990)
Show SMILES CC1=Nc2ccnn2[C@@H](C1c1ncnn1C1CCC1)c1ccc(Cl)c(Cl)c1
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
Voltage-gated potassium channel subunit Kv1.5


(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
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 50n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in mouse L929 cells assessed as blockade of ultra rapidly activating potassium current by volatge clamp t...


Bioorg Med Chem Lett 18: 2714-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.026
BindingDB Entry DOI: 10.7270/Q2QC04DZ
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50306906
PNG
(((R)-7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropy...)
Show SMILES CC1=Nc2ccnn2[C@@H](C1C(=O)N1CCC[C@H]1c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H21Cl2FN4O/c1-14-22(24(32)30-12-2-3-20(30)15-4-7-17(27)8-5-15)23(31-21(29-14)10-11-28-31)16-6-9-18(25)19(26)13-16/h4-11,13,20,22-23H,2-3,12H2,1H3/t20-,22?,23+/m0/s1
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n/an/a 50n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in mouse L929 cells


Bioorg Med Chem Lett 20: 1436-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.085
BindingDB Entry DOI: 10.7270/Q2MG7PM1
More data for this
Ligand-Target Pair
Hexokinase-2


(Homo sapiens (Human))
BDBM50169043
PNG
(CHEMBL3806095)
Show SMILES OC1O[C@H](CNS(=O)(=O)c2cccc(Cl)c2Cl)[C@@H](O)[C@H](O)[C@H]1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H18Cl4N2O8S2/c19-9-5-4-8(6-11(9)21)33(28,29)24-15-17(26)16(25)12(32-18(15)27)7-23-34(30,31)13-3-1-2-10(20)14(13)22/h1-6,12,15-18,23-27H,7H2/t12-,15-,16-,17-,18?/m1/s1
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n/an/a 50n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human HK2 (17 to 916 residues) expressed in Escherichia coli BL21(DE3) using glucose as substrate after 45 mins by ADP-glo a...


ACS Med Chem Lett 7: 217-22 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00214
BindingDB Entry DOI: 10.7270/Q2PR7XWW
More data for this
Ligand-Target Pair
Hexokinase-2


(Homo sapiens (Human))
BDBM50169034
PNG
(CHEMBL3805734)
Show SMILES OC1O[C@H](CNS(=O)(=O)c2cccc(c2)C(O)=O)[C@@H](O)[C@H](O)[C@H]1NC(=O)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C26H26N2O9S/c29-22-20(14-27-38(35,36)19-11-5-10-18(13-19)25(32)33)37-26(34)21(23(22)30)28-24(31)17-9-4-8-16(12-17)15-6-2-1-3-7-15/h1-13,20-23,26-27,29-30,34H,14H2,(H,28,31)(H,32,33)/t20-,21-,22-,23-,26?/m1/s1
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n/an/a 50n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human HK2 (17 to 916 residues) expressed in Escherichia coli BL21(DE3) using glucose as substrate after 45 mins by ADP-glo a...


ACS Med Chem Lett 7: 217-22 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00214
BindingDB Entry DOI: 10.7270/Q2PR7XWW
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50120916
PNG
(CHEMBL3623052)
Show SMILES CCN(CC)S(=O)(=O)N[C@H]1CC[C@@](CNC2=NS(=O)(=O)c3cccc(OC)c23)(CC1)c1ccccc1
Show InChI InChI=1S/C25H34N4O5S2/c1-4-29(5-2)36(32,33)27-20-14-16-25(17-15-20,19-10-7-6-8-11-19)18-26-24-23-21(34-3)12-9-13-22(23)35(30,31)28-24/h6-13,20,27H,4-5,14-18H2,1-3H3,(H,26,28)/t20-,25-
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n/an/a 52n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human KV1.5 expressed in mouse L929 cells assessed as decrease in ultrarapid potassium current amplitude


Bioorg Med Chem Lett 25: 4983-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.066
BindingDB Entry DOI: 10.7270/Q2HH6MWT
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50120903
PNG
(CHEMBL3622360)
Show SMILES COc1cccc2c1C(NC[C@@]1(CC[C@@H](CC1)NC(=O)OC(C)C)c1ccccc1)=NS2(=O)=O
Show InChI InChI=1S/C25H31N3O5S/c1-17(2)33-24(29)27-19-12-14-25(15-13-19,18-8-5-4-6-9-18)16-26-23-22-20(32-3)10-7-11-21(22)34(30,31)28-23/h4-11,17,19H,12-16H2,1-3H3,(H,26,28)(H,27,29)/t19-,25-
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n/an/a 52n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human KV1.5 expressed in mouse L929 cells assessed as decrease in ultrarapid potassium current amplitude


Bioorg Med Chem Lett 25: 4983-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.066
BindingDB Entry DOI: 10.7270/Q2HH6MWT
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50120901
PNG
(CHEMBL3622358)
Show SMILES CCOC(=O)N[C@H]1CC[C@@](CNC2=NS(=O)(=O)c3cccc(OC)c23)(CC1)c1ccccc1
Show InChI InChI=1S/C24H29N3O5S/c1-3-32-23(28)26-18-12-14-24(15-13-18,17-8-5-4-6-9-17)16-25-22-21-19(31-2)10-7-11-20(21)33(29,30)27-22/h4-11,18H,3,12-16H2,1-2H3,(H,25,27)(H,26,28)/t18-,24-
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n/an/a 55n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human KV1.5 expressed in mouse L929 cells assessed as decrease in ultrarapid potassium current amplitude


Bioorg Med Chem Lett 25: 4983-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.066
BindingDB Entry DOI: 10.7270/Q2HH6MWT
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))
BDBM50301469
PNG
(6-(5-chloro-1-ethyl-1H-benzo[d]imidazol-2-yl)-7-(3...)
Show SMILES CCn1c(nc2cc(Cl)ccc12)C1C(c2ccc(Cl)c(Cl)c2)n2nccc2N=C1C
Show InChI InChI=1S/C22H18Cl3N5/c1-3-29-18-7-5-14(23)11-17(18)28-22(29)20-12(2)27-19-8-9-26-30(19)21(20)13-4-6-15(24)16(25)10-13/h4-11,20-21H,3H2,1-2H3
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n/an/a 57n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in mouse L929 cells


Bioorg Med Chem Lett 19: 5469-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.083
BindingDB Entry DOI: 10.7270/Q24M94M6
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50211550
PNG
((3S,4R)-4-(N-butyl-4-ethylphenylsulfonamido)-3-hyd...)
Show SMILES CCCCN([C@H]1[C@H](O)C(C)(C)Oc2ccc(cc12)C(=O)NCCc1ccccc1)S(=O)(=O)c1ccc(CC)cc1
Show InChI InChI=1S/C32H40N2O5S/c1-5-7-21-34(40(37,38)26-16-13-23(6-2)14-17-26)29-27-22-25(15-18-28(27)39-32(3,4)30(29)35)31(36)33-20-19-24-11-9-8-10-12-24/h8-18,22,29-30,35H,5-7,19-21H2,1-4H3,(H,33,36)/t29-,30+/m1/s1
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n/an/a 57n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in mouse L929 cells


Bioorg Med Chem Lett 17: 3271-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.020
BindingDB Entry DOI: 10.7270/Q2S75G0V
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50430219
PNG
(CHEMBL2331987)
Show SMILES CC1=Nc2ccnn2[C@@H](C1c1ncnn1C1CCCCC1)c1ccc(Cl)c(Cl)c1
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
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