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Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with Target = 'Potassium voltage-gated channel subfamily KQT member 2' and Ligand = 'BDBM50143558'   
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 KQT member 2


(Mus musculus)
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 1.30E+3n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Whole-cell patch-clamp on recombinant mouse KCNQ2 channels expressed in HEK 293 cells at -40 mV


Bioorg Med Chem Lett 14: 1991-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.069
BindingDB Entry DOI: 10.7270/Q2MG7NZ3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Potassium voltage-gated channel subfamily KQT member 2


(Mus musculus)
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 1.30E+3n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Induction of mouse KCNQ2 expressed in HEK293 cells at -40 mV holding potential by whole-cell patch clamp assay


Bioorg Med Chem Lett 23: 6188-91 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.092
BindingDB Entry DOI: 10.7270/Q2F76F0Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Potassium voltage-gated channel subfamily KQT member 2


(Mus musculus)
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 1.30E+3n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Effect on outward potassium currents in whole-cell patchclamp assay of HEK 293 cells expressing cloned mouse KCNQ2 channel at -40 mV


Bioorg Med Chem Lett 15: 363-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.065
BindingDB Entry DOI: 10.7270/Q2J967KG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Potassium voltage-gated channel subfamily KQT member 2


(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 350n/an/an/an/a



Nanjing University of Technology

Curated by ChEMBL


Assay Description
Activation of KCNQ2 (unknown origin) expressed in CHO cells at 10 uM after 10 mins by atomic absorption spectrophotometry-based Rb+ flow assay


Bioorg Med Chem Lett 28: 1731-1735 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.040
BindingDB Entry DOI: 10.7270/Q25X2CFM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Potassium voltage-gated channel subfamily KQT member 2


(Rattus norvegicus)
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 2.04E+3n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02252
BindingDB Entry DOI: 10.7270/Q28G8QSZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Potassium voltage-gated channel subfamily KQT member 2


(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<150n/an/an/an/a



NeuroSearch A/S

Curated by ChEMBL


Assay Description
Activity at Kv 7.2 channel expressed in cloned CHO cells by [86Rb] efflux assay


J Med Chem 50: 2576-82 (2007)


Article DOI: 10.1021/jm060989l
BindingDB Entry DOI: 10.7270/Q2PR7ZRH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Potassium voltage-gated channel subfamily KQT member 2


(Rattus norvegicus)
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 2.17E+3n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Agonist activity at rat KCNQ2 expressed in CHOK1 cells by whole cell patch clamp assay


ACS Med Chem Lett 10: 27-33 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00315
BindingDB Entry DOI: 10.7270/Q2NP27TT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Potassium voltage-gated channel subfamily KQT member 2


(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 930n/an/an/an/a



University Federico II of Naples

Curated by ChEMBL


Assay Description
Activation of human Kv7.2 expressed in CHO cells assessed as increase in channel current amplitude by whole cell patch clamp electrophysiology assay


J Med Chem 63: 163-185 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00796
BindingDB Entry DOI: 10.7270/Q2KW5KG2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Potassium voltage-gated channel subfamily KQT member 2


(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 4.21E+3n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128841
BindingDB Entry DOI: 10.7270/Q2571H05
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Potassium voltage-gated channel subfamily KQT member 2


(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 350n/an/an/an/a



Nanjing University of Technology

Curated by ChEMBL


Assay Description
Channel opening activity at KCNQ2 (unknown origin) expressed in CHO cells after 10 mins by atomic absorption spectrophotometry-based Rb+ flow assay


Bioorg Med Chem Lett 28: 3004-3008 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.019
BindingDB Entry DOI: 10.7270/Q2H997WB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)