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Compile Data Set for Download or QSAR

Found 119 hits for UniProtKB: P15382   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Intermediate conductance calcium-activated potassium channel protein 4/Potassium voltage-gated channel subfamily E member 1/Potassium voltage-gated channel subfamily KQT member 1


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



Abbott Laboratories

Curated by ChEMBL


Assay Description
Selectivity for gardos channel; (Gardos channel vs 2000 nM for the cardiac IKs channel).)

J Med Chem 44: 1627-53 (2001)


BindingDB Entry DOI: 10.7270/Q218376D
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily E/KQT member 1


(Homo sapiens (Human))		BDBM50106236
PNG
((3R,4S)-Ethanesulfonic acid (6-benzyloxy-3-hydroxy...)
Show SMILES CCS(=O)(=O)N(C)[C@@H]1[C@@H](O)C(C)(C)Oc2ccc(OCc3ccccc3)cc12
Show InChI InChI=1S/C21H27NO5S/c1-5-28(24,25)22(4)19-17-13-16(26-14-15-9-7-6-8-10-15)11-12-18(17)27-21(2,3)20(19)23/h6-13,19-20,23H,5,14H2,1-4H3/t19-,20+/m0/s1
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n/an/a 50n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes

J Med Chem 44: 3831-7 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GPX
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily E/KQT member 1


(Homo sapiens (Human))		BDBM50099582
PNG
((3R,4S)N-[3-Hydroxy-2,2-dimethyl-6-(4,4,4-trifluor...)
Show SMILES CN([C@@H]1[C@@H](O)C(C)(C)Oc2ccc(OCCCC(F)(F)F)cc12)S(C)(=O)=O
Show InChI InChI=1S/C17H24F3NO5S/c1-16(2)15(22)14(21(3)27(4,23)24)12-10-11(6-7-13(12)26-16)25-9-5-8-17(18,19)20/h6-7,10,14-15,22H,5,8-9H2,1-4H3/t14-,15+/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes

J Med Chem 44: 3831-7 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GPX
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily E/KQT member 1


(Homo sapiens (Human))		BDBM50099582
PNG
((3R,4S)N-[3-Hydroxy-2,2-dimethyl-6-(4,4,4-trifluor...)
Show SMILES CN([C@@H]1[C@@H](O)C(C)(C)Oc2ccc(OCCCC(F)(F)F)cc12)S(C)(=O)=O
Show InChI InChI=1S/C17H24F3NO5S/c1-16(2)15(22)14(21(3)27(4,23)24)12-10-11(6-7-13(12)26-16)25-9-5-8-17(18,19)20/h6-7,10,14-15,22H,5,8-9H2,1-4H3/t14-,15+/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of IKs currents in Xenopus oocytes

J Med Chem 44: 1627-53 (2001)


BindingDB Entry DOI: 10.7270/Q218376D
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily E/KQT member 1


(Homo sapiens (Human))		BDBM50106233
PNG
(CHEMBL124308 | N-(6-Benzyloxy-3-hydroxy-2,2-dimeth...)
Show SMILES CN(C1C(O)C(C)(C)Oc2ccc(OCc3ccccc3)cc12)S(C)(=O)=O
Show InChI InChI=1S/C20H25NO5S/c1-20(2)19(22)18(21(3)27(4,23)24)16-12-15(10-11-17(16)26-20)25-13-14-8-6-5-7-9-14/h5-12,18-19,22H,13H2,1-4H3
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n/an/a 200n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes

J Med Chem 44: 3831-7 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GPX
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily E/KQT member 1


(Homo sapiens (Human))		BDBM50106231
PNG
(CHEMBL340910 | N-[3-Hydroxy-2,2-dimethyl-6-(4,4,4-...)
Show SMILES CN(C1C(O)C(C)(C)Oc2ccc(OCCCC(F)(F)F)cc12)S(C)(=O)=O
Show InChI InChI=1S/C17H24F3NO5S/c1-16(2)15(22)14(21(3)27(4,23)24)12-10-11(6-7-13(12)26-16)25-9-5-8-17(18,19)20/h6-7,10,14-15,22H,5,8-9H2,1-4H3
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n/an/a 240n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes

J Med Chem 44: 3831-7 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GPX
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily E/KQT member 1


(Homo sapiens (Human))		BDBM50106232
PNG
(CHEMBL125307 | N-(6-Butoxy-3-hydroxy-2,2-dimethyl-...)
Show SMILES CCCCOc1ccc2OC(C)(C)C(O)C(N(C)S(C)(=O)=O)c2c1
Show InChI InChI=1S/C17H27NO5S/c1-6-7-10-22-12-8-9-14-13(11-12)15(18(4)24(5,20)21)16(19)17(2,3)23-14/h8-9,11,15-16,19H,6-7,10H2,1-5H3
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n/an/a 250n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes

J Med Chem 44: 3831-7 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GPX
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily E/KQT member 1


(Homo sapiens (Human))		BDBM50106237
PNG
((3S,4R)-Ethanesulfonic acid (6-benzyloxy-3-hydroxy...)
Show SMILES CCS(=O)(=O)N(C)[C@H]1[C@H](O)C(C)(C)Oc2ccc(OCc3ccccc3)cc12
Show InChI InChI=1S/C21H27NO5S/c1-5-28(24,25)22(4)19-17-13-16(26-14-15-9-7-6-8-10-15)11-12-18(17)27-21(2,3)20(19)23/h6-13,19-20,23H,5,14H2,1-4H3/t19-,20+/m1/s1
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n/an/a 400n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes

J Med Chem 44: 3831-7 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GPX
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily E/KQT member 1


(Homo sapiens (Human))		BDBM50106234
PNG
((3S,4R)-(+)-N-[3-Hydroxy-2,2-dimethyl-6-(4,4,4-tri...)
Show SMILES CN([C@H]1[C@H](O)C(C)(C)Oc2ccc(OCCCC(F)(F)F)cc12)S(C)(=O)=O
Show InChI InChI=1S/C17H24F3NO5S/c1-16(2)15(22)14(21(3)27(4,23)24)12-10-11(6-7-13(12)26-16)25-9-5-8-17(18,19)20/h6-7,10,14-15,22H,5,8-9H2,1-4H3/t14-,15+/m1/s1
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n/an/a 440n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes

J Med Chem 44: 3831-7 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GPX
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily E/KQT member 1


(Homo sapiens (Human))		BDBM50106228
PNG
((3R,4S)-Ethanesulfonic acid (6-fluoro-3-hydroxy-2,...)
Show SMILES CCS(=O)(=O)N(C)[C@@H]1[C@@H](O)C(C)(C)Oc2ccc(F)cc12
Show InChI InChI=1S/C14H20FNO4S/c1-5-21(18,19)16(4)12-10-8-9(15)6-7-11(10)20-14(2,3)13(12)17/h6-8,12-13,17H,5H2,1-4H3/t12-,13+/m0/s1
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n/an/a 700n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes

J Med Chem 44: 3831-7 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GPX
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily E/KQT member 1


(Homo sapiens (Human))		BDBM50235240
PNG
(CHEMBL4065169)
Show SMILES CS(=O)(=O)Nc1cccc(n1)[C@@H](C(c1cccnc1)c1cccnc1)c1ccc(F)cc1 |r|
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 790n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KCNQ1/KCNE1 expressed in HEK293 cells assessed as reduction in slowly activating delayed rectifier cardiac potassium current by p...

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


Article DOI: 10.1016/j.bmcl.2016.12.054
BindingDB Entry DOI: 10.7270/Q2DV1N5F
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily E/KQT member 1


(Homo sapiens (Human))		BDBM50106235
PNG
(CHEMBL124810 | N-(3-Hydroxy-2,2-dimethyl-6-propoxy...)
Show SMILES CCCOc1ccc2OC(C)(C)C(O)C(N(C)S(C)(=O)=O)c2c1
Show InChI InChI=1S/C16H25NO5S/c1-6-9-21-11-7-8-13-12(10-11)14(17(4)23(5,19)20)15(18)16(2,3)22-13/h7-8,10,14-15,18H,6,9H2,1-5H3
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n/an/a 900n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes

J Med Chem 44: 3831-7 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GPX
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily E/KQT member 1


(Homo sapiens (Human))		BDBM50106226
PNG
(CHEMBL338171 | N-(6-Chloro-3-hydroxy-2,2-dimethyl-...)
Show SMILES CN(C1C(O)C(C)(C)Oc2ccc(Cl)cc12)S(C)(=O)=O
Show InChI InChI=1S/C13H18ClNO4S/c1-13(2)12(16)11(15(3)20(4,17)18)9-7-8(14)5-6-10(9)19-13/h5-7,11-12,16H,1-4H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes

J Med Chem 44: 3831-7 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GPX
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily E/KQT member 1


(Homo sapiens (Human))		BDBM50106229
PNG
(CHEMBL127435 | Ethanesulfonic acid (6-fluoro-3-hyd...)
Show SMILES CCS(=O)(=O)N(C)C1C(O)C(C)(C)Oc2ccc(F)cc12
Show InChI InChI=1S/C14H20FNO4S/c1-5-21(18,19)16(4)12-10-8-9(15)6-7-11(10)20-14(2,3)13(12)17/h6-8,12-13,17H,5H2,1-4H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes

J Med Chem 44: 3831-7 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GPX
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily E/KQT member 1


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



TBA

Curated by ChEMBL


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

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


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


(Homo sapiens (Human))		BDBM50392995
PNG
(CHEMBL2152523)
Show SMILES C1CCN(CC1)[C@@H]([C@H](N1CCCCC1)c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C24H32N2/c1-5-13-21(14-6-1)23(25-17-9-3-10-18-25)24(22-15-7-2-8-16-22)26-19-11-4-12-20-26/h1-2,5-8,13-16,23-24H,3-4,9-12,17-20H2/t23-,24-/m1/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of IKs (unknown origin)

Bioorg Med Chem Lett 29: 1241-1245 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.006
BindingDB Entry DOI: 10.7270/Q2J67MCP
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily E/KQT member 1


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



TBA

Curated by ChEMBL


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

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


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


(Homo sapiens (Human))		BDBM50099566
PNG
((2-fluorophenyl)-(4-fluorophenyl)phenylacetamide |...)
Show SMILES NC(=O)C(c1ccccc1)(c1ccc(F)cc1)c1ccccc1F
Show InChI InChI=1S/C20H15F2NO/c21-16-12-10-15(11-13-16)20(19(23)24,14-6-2-1-3-7-14)17-8-4-5-9-18(17)22/h1-13H,(H2,23,24)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Iks current KvLQT1 potassium channel

J Med Chem 44: 1627-53 (2001)


BindingDB Entry DOI: 10.7270/Q218376D
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily E/KQT member 1


(Homo sapiens (Human))		BDBM50106223
PNG
((3S,4R)-Ethanesulfonic acid (6-fluoro-3-hydroxy-2,...)
Show SMILES CCS(=O)(=O)N(C)[C@H]1[C@H](O)C(C)(C)Oc2ccc(F)cc12
Show InChI InChI=1S/C14H20FNO4S/c1-5-21(18,19)16(4)12-10-8-9(15)6-7-11(10)20-14(2,3)13(12)17/h6-8,12-13,17H,5H2,1-4H3/t12-,13+/m1/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes

J Med Chem 44: 3831-7 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GPX
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily E/KQT member 1


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



TBA

Curated by ChEMBL


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

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


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


(Homo sapiens (Human))		BDBM50106224
PNG
(CHEMBL125259 | Ethanesulfonic acid (3-hydroxy-2,2-...)
Show SMILES CCS(=O)(=O)N(C)C1C(O)C(C)(C)Oc2ccccc12
Show InChI InChI=1S/C14H21NO4S/c1-5-20(17,18)15(4)12-10-8-6-7-9-11(10)19-14(2,3)13(12)16/h6-9,12-13,16H,5H2,1-4H3
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n/an/a 3.10E+3n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes

J Med Chem 44: 3831-7 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GPX
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily E/KQT member 1


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



TBA

Curated by ChEMBL


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

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


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


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



TBA

Curated by ChEMBL


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

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


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


(Homo sapiens (Human))		BDBM50099567
PNG
((3S,4R)-Ethanesulfonic acid (6-cyano-3-hydroxy-2,2...)
Show SMILES CCS(=O)(=O)N(C)[C@H]1[C@H](O)C(C)(C)Oc2ccc(cc12)C#N
Show InChI InChI=1S/C15H20N2O4S/c1-5-22(19,20)17(4)13-11-8-10(9-16)6-7-12(11)21-15(2,3)14(13)18/h6-8,13-14,18H,5H2,1-4H3/t13-,14+/m1/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes,(Experiment 2)

J Med Chem 44: 3831-7 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GPX
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily E/KQT member 1


(Homo sapiens (Human))		BDBM50106227
PNG
((3R,4S)-Ethanesulfonic acid (6-cyano-3-hydroxy-2,2...)
Show SMILES CCS(=O)(=O)N(C)[C@@H]1[C@@H](O)C(C)(C)Oc2ccc(cc12)C#N
Show InChI InChI=1S/C15H20N2O4S/c1-5-22(19,20)17(4)13-11-8-10(9-16)6-7-12(11)21-15(2,3)14(13)18/h6-8,13-14,18H,5H2,1-4H3/t13-,14+/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes,(Experiment 1)

J Med Chem 44: 3831-7 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GPX
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily E/KQT member 1


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



TBA

Curated by ChEMBL


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

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


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


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



TBA

Curated by ChEMBL


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

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


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


(Homo sapiens (Human))		BDBM50106230
PNG
(CHEMBL338273 | Ethanesulfonic acid (6-cyano-3-hydr...)
Show SMILES CCS(=O)(=O)N(C)C1C(O)C(C)(C)Oc2ccc(cc12)C#N
Show InChI InChI=1S/C15H20N2O4S/c1-5-22(19,20)17(4)13-11-8-10(9-16)6-7-12(11)21-15(2,3)14(13)18/h6-8,13-14,18H,5H2,1-4H3
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n/an/a 6.90E+3n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes

J Med Chem 44: 3831-7 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GPX
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily E/KQT member 1


(Homo sapiens (Human))		BDBM50395464
PNG
(CHEMBL2164048)
Show SMILES CC[C@H](C(=O)Nc1ccccc1N1CCCC1)c1ccccc1 |r|
Show InChI InChI=1S/C20H24N2O/c1-2-17(16-10-4-3-5-11-16)20(23)21-18-12-6-7-13-19(18)22-14-8-9-15-22/h3-7,10-13,17H,2,8-9,14-15H2,1H3,(H,21,23)/t17-/m0/s1
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n/an/a 8.12E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at KCNQ1/E1 expressed in CHO cells incubated for 3 mins by automated patch clamp assay

J Med Chem 55: 6975-9 (2012)


Article DOI: 10.1021/jm300700v
BindingDB Entry DOI: 10.7270/Q2KD2017
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily E member 1


(Homo sapiens (Human))		BDBM50343721
PNG
(3-(4-(4-(2-fluoro-4-methylphenyl)-5-(4-methoxyphen...)
Show SMILES COc1ccc(cc1)-c1cnc(nc1-c1ccc(C)cc1F)C(=O)N1CCN(CC1)c1cc(C(O)=O)c2ccccc2c1
Show InChI InChI=1S/C34H29FN4O4/c1-21-7-12-27(30(35)17-21)31-29(22-8-10-25(43-2)11-9-22)20-36-32(37-31)33(40)39-15-13-38(14-16-39)24-18-23-5-3-4-6-26(23)28(19-24)34(41)42/h3-12,17-20H,13-16H2,1-2H3,(H,41,42)
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n/an/a>9.00E+3n/an/an/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Inhibition of IKr

Bioorg Med Chem Lett 21: 2911-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.069
BindingDB Entry DOI: 10.7270/Q2TB177X
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily E member 1


(Homo sapiens (Human))		BDBM50355405
PNG
(CHEMBL1835153)
Show SMILES NC(=O)c1cnc(N[C@H](C2CC2)C(F)(F)F)c2c3ccc(cc3[nH]c12)-c1cnc(N)nc1 |r|
Show InChI InChI=1S/C21H18F3N7O/c22-21(23,24)17(9-1-2-9)31-19-15-12-4-3-10(11-6-28-20(26)29-7-11)5-14(12)30-16(15)13(8-27-19)18(25)32/h3-9,17,30H,1-2H2,(H2,25,32)(H,27,31)(H2,26,28,29)/t17-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of Iks channel

J Med Chem 54: 7334-49 (2011)


Article DOI: 10.1021/jm200909u
BindingDB Entry DOI: 10.7270/Q2T43TGS
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily E/KQT member 1


(Homo sapiens (Human))		BDBM84745
PNG
(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Show SMILES CNCC[C@H](Oc1cccc2ccccc12)c1cccs1 |r|
Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) K1 cells stably expressing hERG measured using I...

J Pharmacol Toxicol Methods 70: 246-54 (2014)


Article DOI: 10.1016/j.vascn.2014.07.002
BindingDB Entry DOI: 10.7270/Q2J104W7
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily E member 1


(Homo sapiens (Human))		BDBM50343722
PNG
(3-(4-(5-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-(2...)
Show SMILES Cc1ccc(c(F)c1)-c1nc(ncc1-c1ccc2OCCOc2c1)C(=O)N1CCN(CC1)c1cc(C(O)=O)c2ccccc2c1
Show InChI InChI=1S/C35H29FN4O5/c1-21-6-8-26(29(36)16-21)32-28(23-7-9-30-31(18-23)45-15-14-44-30)20-37-33(38-32)34(41)40-12-10-39(11-13-40)24-17-22-4-2-3-5-25(22)27(19-24)35(42)43/h2-9,16-20H,10-15H2,1H3,(H,42,43)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Inhibition of IKr

Bioorg Med Chem Lett 21: 2911-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.069
BindingDB Entry DOI: 10.7270/Q2TB177X
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily E member 1


(Homo sapiens (Human))		BDBM50045833
PNG
(CHEMBL3314349)
Show SMILES CN(C)Cc1ccc2CN(CCc2c1)C(=O)c1cc2cc(Cl)ccc2n1C
Show InChI InChI=1S/C22H24ClN3O/c1-24(2)13-15-4-5-17-14-26(9-8-16(17)10-15)22(27)21-12-18-11-19(23)6-7-20(18)25(21)3/h4-7,10-12H,8-9,13-14H2,1-3H3
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n/an/a 1.05E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human cardiac slowly activating delayed rectifier K+ channel expressed in CHO cells by electrophysiology assay

J Med Chem 57: 5935-48 (2014)


Article DOI: 10.1021/jm401951t
BindingDB Entry DOI: 10.7270/Q2MP54W9
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily E member 1


(Homo sapiens (Human))		BDBM50468128
PNG
(CHEMBL4282052)
Show SMILES OC(=O)C(F)(F)F.CCOc1cc(CN2CCC3(CN(C(=O)C3)c3ccc(cc3)C(O)=O)CC2)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C32H35FN2O5/c1-3-39-27-17-22(18-28(40-4-2)30(27)23-5-9-25(33)10-6-23)20-34-15-13-32(14-16-34)19-29(36)35(21-32)26-11-7-24(8-12-26)31(37)38/h5-12,17-18H,3-4,13-16,19-21H2,1-2H3,(H,37,38)
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n/an/a>1.50E+4n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of IKs (unknown origin)

ACS Med Chem Lett 9: 1082-1087 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00305
BindingDB Entry DOI: 10.7270/Q2ZP48TS
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily E/KQT member 1


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



TBA

Curated by ChEMBL


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

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


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


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



TBA

Curated by ChEMBL


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

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


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


(Homo sapiens (Human))		BDBM84735
PNG
(CAS_99200-09-6 | NSC_71301 | Nebivolol)
Show SMILES OC(CNCC(O)C1CCc2cc(F)ccc2O1)C1CCc2cc(F)ccc2O1
Show InChI InChI=1S/C22H25F2NO4/c23-15-3-7-19-13(9-15)1-5-21(28-19)17(26)11-25-12-18(27)22-6-2-14-10-16(24)4-8-20(14)29-22/h3-4,7-10,17-18,21-22,25-27H,1-2,5-6,11-12H2
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n/an/a 1.58E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of slow delayed inward rectifying potassium current (Iks) in Chinese Hamster Ovary (CHO) cells transfected with KCNQ1 / Kv1.7 / KvLQT1 and...

J Pharmacol Toxicol Methods 70: 246-54 (2014)


Article DOI: 10.1016/j.vascn.2014.07.002
BindingDB Entry DOI: 10.7270/Q2J104W7
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily E/KQT member 1


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



TBA

Curated by ChEMBL


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

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


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


(Homo sapiens (Human))		BDBM50523763
PNG
(CHEMBL4438854)
Show SMILES C1CCN(CC1)[C@@H]([C@H](N1CCCCC1)c1ccccn1)c1ccccn1 |r|
Show InChI InChI=1S/C22H30N4/c1-7-15-25(16-8-1)21(19-11-3-5-13-23-19)22(20-12-4-6-14-24-20)26-17-9-2-10-18-26/h3-6,11-14,21-22H,1-2,7-10,15-18H2/t21-,22-/m1/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of IKs (unknown origin)

Bioorg Med Chem Lett 29: 1241-1245 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.006
BindingDB Entry DOI: 10.7270/Q2J67MCP
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily E/KQT member 1


(Homo sapiens (Human))		BDBM50109647
PNG
(2-{1-[2-(2,3-Dihydro-benzofuran-5-yl)-ethyl]-pyrro...)
Show SMILES NC(=O)C([C@@H]1CCN(CCc2ccc3OCCc3c2)C1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H30N2O2/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26/h1-12,19,25H,13-18,20H2,(H2,29,31)/t25-/m1/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) K1 cells stably expressing hERG measured using I...

J Pharmacol Toxicol Methods 70: 246-54 (2014)


Article DOI: 10.1016/j.vascn.2014.07.002
BindingDB Entry DOI: 10.7270/Q2J104W7
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily E member 1


(Homo sapiens (Human))		BDBM50385309
PNG
(CHEMBL2035983)
Show SMILES C[C@]1(CNC2(CCCC2)C(=O)N1CC(=O)Nc1cnc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)c1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C31H30F2N6O3/c1-29(19-10-20(32)12-21(33)11-19)17-36-31(6-2-3-7-31)28(42)39(29)16-25(40)37-22-9-18-13-30(14-24(18)35-15-22)23-5-4-8-34-26(23)38-27(30)41/h4-5,8-12,15,36H,2-3,6-7,13-14,16-17H2,1H3,(H,37,40)(H,34,38,41)/t29-,30-/m0/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Iks ion channel by voltage clamp assay

Bioorg Med Chem Lett 22: 3941-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.105
BindingDB Entry DOI: 10.7270/Q2FX7BG1
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily E/KQT member 1


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



TBA

Curated by ChEMBL


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

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


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


(Homo sapiens (Human))		BDBM50530637
PNG
(CHEMBL4591417)
Show SMILES Cc1cc(Nc2nccc(n2)-c2sc(nc2-c2ccc(F)cc2)C2CCNCC2)ccn1
Show InChI InChI=1S/C24H23FN6S/c1-15-14-19(8-12-27-15)29-24-28-13-9-20(30-24)22-21(16-2-4-18(25)5-3-16)31-23(32-22)17-6-10-26-11-7-17/h2-5,8-9,12-14,17,26H,6-7,10-11H2,1H3,(H,27,28,29,30)
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n/an/a>2.50E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human KCNQ1/KCNE1

J Med Chem 62: 9217-9235 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01099
BindingDB Entry DOI: 10.7270/Q2X63RDP
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily E/KQT member 1


(Homo sapiens (Human))		BDBM50530637
PNG
(CHEMBL4591417)
Show SMILES Cc1cc(Nc2nccc(n2)-c2sc(nc2-c2ccc(F)cc2)C2CCNCC2)ccn1
Show InChI InChI=1S/C24H23FN6S/c1-15-14-19(8-12-27-15)29-24-28-13-9-20(30-24)22-21(16-2-4-18(25)5-3-16)31-23(32-22)17-6-10-26-11-7-17/h2-5,8-9,12-14,17,26H,6-7,10-11H2,1H3,(H,27,28,29,30)
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n/an/a>2.50E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human KCNQ1/KCNE1

J Med Chem 62: 9217-9235 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01099
BindingDB Entry DOI: 10.7270/Q2X63RDP
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily E/KQT member 1


(Homo sapiens (Human))		BDBM25351
PNG
(N-[2-(4-{[(4-fluorophenyl)methyl]carbamoyl}-5-hydr...)
Show SMILES Cc1nnc(o1)C(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C
Show InChI InChI=1S/C20H21FN6O5/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11/h5-8,28H,9H2,1-4H3,(H,22,29)(H,24,30)
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n/an/a 2.51E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of slow delayed inward rectifying potassium current (Iks) in Chinese Hamster Ovary (CHO) cells expressing hKvLQT1/hminK measured using Ion...

J Pharmacol Toxicol Methods 70: 246-54 (2014)


Article DOI: 10.1016/j.vascn.2014.07.002
BindingDB Entry DOI: 10.7270/Q2J104W7
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily E member 1


(Homo sapiens (Human))		BDBM50103543
PNG
(CHEMBL3358006)
Show SMILES C[C@@H]1CN(CCN1c1ncc(OCc2ccc(CS(C)(=O)=O)cc2F)cn1)c1nc(no1)C(F)(F)F |r|
Show InChI InChI=1S/C21H22F4N6O4S/c1-13-10-30(20-28-18(29-35-20)21(23,24)25)5-6-31(13)19-26-8-16(9-27-19)34-11-15-4-3-14(7-17(15)22)12-36(2,32)33/h3-4,7-9,13H,5-6,10-12H2,1-2H3/t13-/m1/s1
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n/an/a 2.70E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of IKs channel (unknown origin)

J Med Chem 57: 8984-98 (2014)


Article DOI: 10.1021/jm5011012
BindingDB Entry DOI: 10.7270/Q29G5PK1
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily E member 1


(Homo sapiens (Human))		BDBM50246769
PNG
(CHEMBL4064608)
Show SMILES C1CC(CCO1)c1c[nH]c2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c12 |r,wU:15.15,wD:18.22,(7.34,-15.64,;7.82,-17.1,;6.8,-18.25,;5.29,-17.94,;4.81,-16.48,;5.83,-15.33,;7.28,-19.71,;6.38,-20.97,;7.3,-22.21,;8.77,-21.73,;10.1,-22.5,;11.43,-21.72,;11.43,-20.18,;10.1,-19.41,;10.09,-17.87,;11.43,-17.1,;11.42,-15.56,;12.75,-14.8,;14.09,-15.57,;14.08,-17.11,;12.75,-17.87,;15.42,-14.8,;16.75,-15.58,;18.08,-14.82,;18.09,-13.28,;16.76,-12.5,;15.42,-13.27,;8.76,-20.18,)|
Show InChI InChI=1S/C21H31N5O2/c1-3-17(26-7-11-28-12-8-26)4-2-16(1)25-21-19-18(15-5-9-27-10-6-15)13-22-20(19)23-14-24-21/h13-17H,1-12H2,(H2,22,23,24,25)/t16-,17-
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n/an/a>3.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of IKs (unknown origin)

J Med Chem 60: 10071-10091 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01290
BindingDB Entry DOI: 10.7270/Q2T72KWX
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily E/KQT member 1


(Homo sapiens (Human))		BDBM50258216
PNG
(CHEMBL4105630)
Show SMILES [H][C@@]12CC[C@H](C(=O)Cn3cc(cn3)C#N)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](C)(O)CC[C@]12[H] |r|
Show InChI InChI=1S/C25H35N3O2/c1-24(30)9-7-18-17(11-24)3-4-20-19(18)8-10-25(2)21(20)5-6-22(25)23(29)15-28-14-16(12-26)13-27-28/h13-14,17-22,30H,3-11,15H2,1-2H3/t17-,18+,19-,20-,21+,22-,24-,25+/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Sage Therapeutics, Inc. 215 First Street, Cambridge, Massachusetts 02142, United States.

Curated by ChEMBL


Assay Description
Inhibition of KCNQ1/minK (unknown origin) by patch clamp assay

J Med Chem 60: 7810-7819 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00846
BindingDB Entry DOI: 10.7270/Q2ZK5K4W
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily E/KQT member 1


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



TBA

Curated by ChEMBL


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

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


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