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BDBM50143558 CHEMBL41355::EZOGABINE::N-(2-amino-4-(4-fluorobenzylamino)-phenyl)carbamic acid ethylester::RETIGABINE::[2-Amino-4-(4-fluoro-benzylamino)-phenyl]-carbamic acid ethyl ester

SMILES: CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1N

InChI Key: InChIKey=PCOBBVZJEWWZFR-UHFFFAOYSA-N

Data: 7 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50143558   
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
Voltage-gated potassium channel subunit Kv7.2


(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
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


(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 Co.

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
KCNQ (Kv7) potassium channel


(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)


BindingDB Entry DOI: 10.7270/Q2PR7ZRH
More data for this
Ligand-Target Pair
KCNQ (Kv7) potassium channel


(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)


BindingDB Entry DOI: 10.7270/Q25X2CFM
More data for this
Ligand-Target Pair
KCNQ (Kv7) potassium channel


(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)


BindingDB Entry DOI: 10.7270/Q2H997WB
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv7.2


(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