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Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with all data for entry = 50033092   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Voltage-gated potassium channel subunit Kv7.2/Kv7.3


(Homo sapiens (Human))
BDBM50339277
PNG
(5-(Chloromethyl)-3-phenyl-2-(trifluoromethyl)pyraz...)
Show SMILES FC(F)(F)c1[nH]n2c(nc(CCl)cc2=O)c1-c1ccccc1
Show InChI InChI=1S/C14H9ClF3N3O/c15-7-9-6-10(22)21-13(19-9)11(8-4-2-1-3-5-8)12(20-21)14(16,17)18/h1-6,20H,7H2
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n/an/an/an/a 2.27E+3n/an/an/an/a



Hebei Medical University

Curated by ChEMBL


Assay Description
Activation of KCNQ2/Q3 expressed in CHO cells by atomic absorption Rb'+ efflux assay


Eur J Med Chem 46: 934-43 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.010
BindingDB Entry DOI: 10.7270/Q2TM7BDF
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv7.2/Kv7.3


(Homo sapiens (Human))
BDBM50339291
PNG
(5-(2,3,4,5-Tetrafluorophenyl)-3-(thiophen-2-yl)-2-...)
Show SMILES Fc1cc(c(F)c(F)c1F)-c1cc(=O)n2[nH]c(c(-c3cccs3)c2n1)C(F)(F)F
Show InChI InChI=1S/C17H6F7N3OS/c18-7-4-6(12(19)14(21)13(7)20)8-5-10(28)27-16(25-8)11(9-2-1-3-29-9)15(26-27)17(22,23)24/h1-5,26H
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n/an/an/an/a 160n/an/an/an/a



Hebei Medical University

Curated by ChEMBL


Assay Description
Activation of KCNQ2/Q3 expressed in CHO cells by atomic absorption Rb'+ efflux assay


Eur J Med Chem 46: 934-43 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.010
BindingDB Entry DOI: 10.7270/Q2TM7BDF
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv7.2/Kv7.3


(Homo sapiens (Human))
BDBM50339279
PNG
(5-(Chloromethyl)-3-(naphthalen-1-yl)-2-(trifluorom...)
Show SMILES FC(F)(F)c1[nH]n2c(nc(CCl)cc2=O)c1-c1cccc2ccccc12
Show InChI InChI=1S/C18H11ClF3N3O/c19-9-11-8-14(26)25-17(23-11)15(16(24-25)18(20,21)22)13-7-3-5-10-4-1-2-6-12(10)13/h1-8,24H,9H2
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n/an/an/an/a 1.25E+3n/an/an/an/a



Hebei Medical University

Curated by ChEMBL


Assay Description
Activation of KCNQ2/Q3 expressed in CHO cells by atomic absorption Rb'+ efflux assay


Eur J Med Chem 46: 934-43 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.010
BindingDB Entry DOI: 10.7270/Q2TM7BDF
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv7.2/Kv7.3


(Homo sapiens (Human))
BDBM50339280
PNG
(3-(Naphthalen-1-yl)-2,5-bis(trifluoromethyl)pyrazo...)
Show SMILES FC(F)(F)c1[nH]n2c(nc(cc2=O)C(F)(F)F)c1-c1cccc2ccccc12
Show InChI InChI=1S/C18H9F6N3O/c19-17(20,21)12-8-13(28)27-16(25-12)14(15(26-27)18(22,23)24)11-7-3-5-9-4-1-2-6-10(9)11/h1-8,26H
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n/an/an/an/a 4.98E+3n/an/an/an/a



Hebei Medical University

Curated by ChEMBL


Assay Description
Activation of KCNQ2/Q3 expressed in CHO cells by atomic absorption Rb'+ efflux assay


Eur J Med Chem 46: 934-43 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.010
BindingDB Entry DOI: 10.7270/Q2TM7BDF
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv7.2/Kv7.3


(Homo sapiens (Human))
BDBM50339281
PNG
(5-(2,6-Dichloro-5-fluoropyridin-3-yl)-3-phenyl-2-(...)
Show SMILES Fc1cc(c(Cl)nc1Cl)-c1cc(=O)n2[nH]c(c(-c3ccccc3)c2n1)C(F)(F)F
Show InChI InChI=1S/C18H8Cl2F4N4O/c19-15-9(6-10(21)16(20)26-15)11-7-12(29)28-17(25-11)13(8-4-2-1-3-5-8)14(27-28)18(22,23)24/h1-7,27H
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n/an/an/an/a 60n/an/an/an/a



Hebei Medical University

Curated by ChEMBL


Assay Description
Activation of KCNQ2/Q3 expressed in CHO cells by atomic absorption Rb'+ efflux assay


Eur J Med Chem 46: 934-43 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.010
BindingDB Entry DOI: 10.7270/Q2TM7BDF
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv7.2/Kv7.3


(Homo sapiens (Human))
BDBM50339282
PNG
(5-(2,6-Dichloro-5-fluoropyridin-3-yl)-3-(naphthale...)
Show SMILES Fc1cc(c(Cl)nc1Cl)-c1cc(=O)n2[nH]c(c(-c3cccc4ccccc34)c2n1)C(F)(F)F
Show InChI InChI=1S/C22H10Cl2F4N4O/c23-19-13(8-14(25)20(24)30-19)15-9-16(33)32-21(29-15)17(18(31-32)22(26,27)28)12-7-3-5-10-4-1-2-6-11(10)12/h1-9,31H
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n/an/an/an/a 150n/an/an/an/a



Hebei Medical University

Curated by ChEMBL


Assay Description
Activation of KCNQ2/Q3 expressed in CHO cells by atomic absorption Rb'+ efflux assay


Eur J Med Chem 46: 934-43 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.010
BindingDB Entry DOI: 10.7270/Q2TM7BDF
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv7.2/Kv7.3


(Homo sapiens (Human))
BDBM50339283
PNG
(5-(chloromethyl)-3-(4-chlorophenyl)-2-(trifluorome...)
Show SMILES FC(F)(F)c1[nH]n2c(nc(CCl)cc2=O)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C14H8Cl2F3N3O/c15-6-9-5-10(23)22-13(20-9)11(12(21-22)14(17,18)19)7-1-3-8(16)4-2-7/h1-5,21H,6H2
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n/an/an/an/a 2.33E+3n/an/an/an/a



Hebei Medical University

Curated by ChEMBL


Assay Description
Activation of KCNQ2/Q3 expressed in CHO cells by atomic absorption Rb'+ efflux assay


Eur J Med Chem 46: 934-43 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.010
BindingDB Entry DOI: 10.7270/Q2TM7BDF
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv7.2/Kv7.3


(Homo sapiens (Human))
BDBM50339284
PNG
(5-(4-Methoxyphenyl)-3-phenyl-2-(trifluoromethyl)py...)
Show SMILES COc1ccc(cc1)-c1cc(=O)n2[nH]c(c(-c3ccccc3)c2n1)C(F)(F)F
Show InChI InChI=1S/C20H14F3N3O2/c1-28-14-9-7-12(8-10-14)15-11-16(27)26-19(24-15)17(13-5-3-2-4-6-13)18(25-26)20(21,22)23/h2-11,25H,1H3
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n/an/an/an/a 1.93E+3n/an/an/an/a



Hebei Medical University

Curated by ChEMBL


Assay Description
Activation of KCNQ2/Q3 expressed in CHO cells by atomic absorption Rb'+ efflux assay


Eur J Med Chem 46: 934-43 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.010
BindingDB Entry DOI: 10.7270/Q2TM7BDF
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv7.2/Kv7.3


(Homo sapiens (Human))
BDBM50339285
PNG
(5-tert-Butyl-3-phenyl-2-(trifluoromethyl)pyrazolo[...)
Show SMILES CC(C)(C)c1cc(=O)n2[nH]c(c(-c3ccccc3)c2n1)C(F)(F)F
Show InChI InChI=1S/C17H16F3N3O/c1-16(2,3)11-9-12(24)23-15(21-11)13(10-7-5-4-6-8-10)14(22-23)17(18,19)20/h4-9,22H,1-3H3
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n/an/an/an/a 6.19E+3n/an/an/an/a



Hebei Medical University

Curated by ChEMBL


Assay Description
Activation of KCNQ2/Q3 expressed in CHO cells by atomic absorption Rb'+ efflux assay


Eur J Med Chem 46: 934-43 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.010
BindingDB Entry DOI: 10.7270/Q2TM7BDF
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv7.2/Kv7.3


(Homo sapiens (Human))
BDBM50339286
PNG
(5-(Difluoromethyl)-3-phenyl-2-(trifluoromethyl)pyr...)
Show SMILES FC(F)c1cc(=O)n2[nH]c(c(-c3ccccc3)c2n1)C(F)(F)F
Show InChI InChI=1S/C14H8F5N3O/c15-12(16)8-6-9(23)22-13(20-8)10(7-4-2-1-3-5-7)11(21-22)14(17,18)19/h1-6,12,21H
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n/an/an/an/a 4.29E+3n/an/an/an/a



Hebei Medical University

Curated by ChEMBL


Assay Description
Activation of KCNQ2/Q3 expressed in CHO cells by atomic absorption Rb'+ efflux assay


Eur J Med Chem 46: 934-43 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.010
BindingDB Entry DOI: 10.7270/Q2TM7BDF
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv7.2/Kv7.3


(Homo sapiens (Human))
BDBM50339287
PNG
(3-Phenyl-5-(2,3,4,5-tetrafluorophenyl)-2-(trifluor...)
Show SMILES Fc1cc(-c2cc(=O)n3[nH]c(c(-c4ccccc4)c3n2)C(F)(F)F)c(F)c(F)c1F
Show InChI InChI=1S/C19H8F7N3O/c20-10-6-9(14(21)16(23)15(10)22)11-7-12(30)29-18(27-11)13(8-4-2-1-3-5-8)17(28-29)19(24,25)26/h1-7,28H
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n/an/an/an/a 600n/an/an/an/a



Hebei Medical University

Curated by ChEMBL


Assay Description
Activation of KCNQ2/Q3 expressed in CHO cells by atomic absorption Rb'+ efflux assay


Eur J Med Chem 46: 934-43 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.010
BindingDB Entry DOI: 10.7270/Q2TM7BDF
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv7.2/Kv7.3


(Homo sapiens (Human))
BDBM50339288
PNG
(5-(3-Nitrophenyl)-3-phenyl-2-(trifluoromethyl)pyra...)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1cc(=O)n2[nH]c(c(-c3ccccc3)c2n1)C(F)(F)F
Show InChI InChI=1S/C19H11F3N4O3/c20-19(21,22)17-16(11-5-2-1-3-6-11)18-23-14(10-15(27)25(18)24-17)12-7-4-8-13(9-12)26(28)29/h1-10,24H
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n/an/an/an/a 570n/an/an/an/a



Hebei Medical University

Curated by ChEMBL


Assay Description
Activation of KCNQ2/Q3 expressed in CHO cells by atomic absorption Rb'+ efflux assay


Eur J Med Chem 46: 934-43 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.010
BindingDB Entry DOI: 10.7270/Q2TM7BDF
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv7.2/Kv7.3


(Homo sapiens (Human))
BDBM50339292
PNG
(5-tert-Butyl-3-(naphthalen-1-yl)-2-(trifluoromethy...)
Show SMILES CC(C)(C)c1cc(=O)n2[nH]c(c(-c3cccc4ccccc34)c2n1)C(F)(F)F
Show InChI InChI=1S/C21H18F3N3O/c1-20(2,3)15-11-16(28)27-19(25-15)17(18(26-27)21(22,23)24)14-10-6-8-12-7-4-5-9-13(12)14/h4-11,26H,1-3H3
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n/an/an/an/a 1.93E+4n/an/an/an/a



Hebei Medical University

Curated by ChEMBL


Assay Description
Activation of KCNQ2/Q3 expressed in CHO cells by atomic absorption Rb'+ efflux assay


Eur J Med Chem 46: 934-43 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.010
BindingDB Entry DOI: 10.7270/Q2TM7BDF
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv7.2/Kv7.3


(Homo sapiens (Human))
BDBM50339293
PNG
(3-(4-Chlorophenyl)-2,5-bis(trifluoromethyl)pyrazol...)
Show SMILES FC(F)(F)c1[nH]n2c(nc(cc2=O)C(F)(F)F)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C14H6ClF6N3O/c15-7-3-1-6(2-4-7)10-11(14(19,20)21)23-24-9(25)5-8(13(16,17)18)22-12(10)24/h1-5,23H
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n/an/an/an/a 2.06E+3n/an/an/an/a



Hebei Medical University

Curated by ChEMBL


Assay Description
Activation of KCNQ2/Q3 expressed in CHO cells by atomic absorption Rb'+ efflux assay


Eur J Med Chem 46: 934-43 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.010
BindingDB Entry DOI: 10.7270/Q2TM7BDF
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv7.2/Kv7.3


(Homo sapiens (Human))
BDBM50339294
PNG
(3-(4-Chlorophenyl)-2-(trifluoromethyl)-5-(2,4,5-tr...)
Show SMILES Fc1cc(F)c(cc1F)-c1cc(=O)n2[nH]c(c(-c3ccc(Cl)cc3)c2n1)C(F)(F)F
Show InChI InChI=1S/C19H8ClF6N3O/c20-9-3-1-8(2-4-9)16-17(19(24,25)26)28-29-15(30)7-14(27-18(16)29)10-5-12(22)13(23)6-11(10)21/h1-7,28H
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n/an/an/an/a 210n/an/an/an/a



Hebei Medical University

Curated by ChEMBL


Assay Description
Activation of KCNQ2/Q3 expressed in CHO cells by atomic absorption Rb'+ efflux assay


Eur J Med Chem 46: 934-43 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.010
BindingDB Entry DOI: 10.7270/Q2TM7BDF
More data for this
Ligand-Target Pair
KCNQ (Kv7) potassium channel


(Homo sapiens (Human))
BDBM50339281
PNG
(5-(2,6-Dichloro-5-fluoropyridin-3-yl)-3-phenyl-2-(...)
Show SMILES Fc1cc(c(Cl)nc1Cl)-c1cc(=O)n2[nH]c(c(-c3ccccc3)c2n1)C(F)(F)F
Show InChI InChI=1S/C18H8Cl2F4N4O/c19-15-9(6-10(21)16(20)26-15)11-7-12(29)28-17(25-11)13(8-4-2-1-3-5-8)14(27-28)18(22,23)24/h1-7,27H
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n/an/an/an/a 4.93E+4n/an/an/an/a



Hebei Medical University

Curated by ChEMBL


Assay Description
Activation of KCNQ1 expressed in HEK293 cells by atomic absorption Rb'+ efflux assay


Eur J Med Chem 46: 934-43 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.010
BindingDB Entry DOI: 10.7270/Q2TM7BDF
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv7.2/Kv7.3


(Homo sapiens (Human))
BDBM50143558
PNG
(CHEMBL41355 | EZOGABINE | N-(2-amino-4-(4-fluorobe...)
Show SMILES CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1N
Show InChI InChI=1S/C16H18FN3O2/c1-2-22-16(21)20-15-8-7-13(9-14(15)18)19-10-11-3-5-12(17)6-4-11/h3-9,19H,2,10,18H2,1H3,(H,20,21)
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n/an/an/an/a 430n/an/an/an/a



Hebei Medical University

Curated by ChEMBL


Assay Description
Activation of KCNQ2/Q3 expressed in CHO cells by atomic absorption Rb'+ efflux assay


Eur J Med Chem 46: 934-43 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.010
BindingDB Entry DOI: 10.7270/Q2TM7BDF
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv7.2/Kv7.3


(Homo sapiens (Human))
BDBM50339289
PNG
(5-(2,6-Dichloro-5-fluoropyridin-3-yl)-3-(3,4-dimet...)
Show SMILES COc1ccc(cc1OC)-c1c([nH]n2c1nc(cc2=O)-c1cc(F)c(Cl)nc1Cl)C(F)(F)F
Show InChI InChI=1S/C20H12Cl2F4N4O3/c1-32-12-4-3-8(5-13(12)33-2)15-16(20(24,25)26)29-30-14(31)7-11(27-19(15)30)9-6-10(23)18(22)28-17(9)21/h3-7,29H,1-2H3
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n/an/an/an/a 230n/an/an/an/a



Hebei Medical University

Curated by ChEMBL


Assay Description
Activation of KCNQ2/Q3 expressed in CHO cells by atomic absorption Rb'+ efflux assay


Eur J Med Chem 46: 934-43 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.010
BindingDB Entry DOI: 10.7270/Q2TM7BDF
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv7.2/Kv7.3


(Homo sapiens (Human))
BDBM50339290
PNG
(5-(3-Nitrophenyl)-3-(thiophen-2-yl)-2-(trifluorome...)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1cc(=O)n2[nH]c(c(-c3cccs3)c2n1)C(F)(F)F
Show InChI InChI=1S/C17H9F3N4O3S/c18-17(19,20)15-14(12-5-2-6-28-12)16-21-11(8-13(25)23(16)22-15)9-3-1-4-10(7-9)24(26)27/h1-8,22H
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n/an/an/an/a 580n/an/an/an/a



Hebei Medical University

Curated by ChEMBL


Assay Description
Activation of KCNQ2/Q3 expressed in CHO cells by atomic absorption Rb'+ efflux assay


Eur J Med Chem 46: 934-43 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.010
BindingDB Entry DOI: 10.7270/Q2TM7BDF
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv7.2/Kv7.3


(Homo sapiens (Human))
BDBM50339278
PNG
(3-Phenyl-2,5-bis(trifluoromethyl)pyrazolo[1,5-a]py...)
Show SMILES FC(F)(F)c1[nH]n2c(nc(cc2=O)C(F)(F)F)c1-c1ccccc1
Show InChI InChI=1S/C14H7F6N3O/c15-13(16,17)8-6-9(24)23-12(21-8)10(7-4-2-1-3-5-7)11(22-23)14(18,19)20/h1-6,22H
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n/an/an/an/a 1.46E+3n/an/an/an/a



Hebei Medical University

Curated by ChEMBL


Assay Description
Activation of KCNQ2/Q3 expressed in CHO cells by atomic absorption Rb'+ efflux assay


Eur J Med Chem 46: 934-43 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.010
BindingDB Entry DOI: 10.7270/Q2TM7BDF
More data for this
Ligand-Target Pair