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: 16 EC50

PDB links: 3 PDB IDs match this monomer.

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 16 hits for monomerid = 50143558   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Voltage-gated potassium channel subunit Kv7.2 (Mus musculus)	BDBM50143558 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/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 Structure (crystal)
KCNQ (Kv7) potassium channel (Homo sapiens (Human))	BDBM50143558 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents	DrugBank PDB Article PubMed	n/a	n/a	n/a	n/a	1.98E+3	n/a	n/a	n/a	n/a
University Federico II of Naples Curated by ChEMBL					Assay Description Activation of human Kv7.4 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
					More data for this Ligand-Target Pair				3D Structure (crystal)
Voltage-gated potassium channel subunit Kv7.2 (Mus musculus)	BDBM50143558 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/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 Structure (crystal)
Voltage-gated potassium channel subunit Kv7.2 (Mus musculus)	BDBM50143558 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/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 Structure (crystal)
KCNQ (Kv7) potassium channel (Homo sapiens (Human))	BDBM50143558 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents	DrugBank PDB Article PubMed	n/a	n/a	n/a	n/a	350	n/a	n/a	n/a	n/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 Structure (crystal)
KCNQ (Kv7) potassium channel (Homo sapiens (Human))	BDBM50143558 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents	DrugBank PDB Article PubMed	n/a	n/a	n/a	n/a	350	n/a	n/a	n/a	n/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 Structure (crystal)
KCNQ (Kv7) potassium channel (Homo sapiens (Human))	BDBM50143558 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents	DrugBank PDB Article PubMed	n/a	n/a	n/a	n/a	<150	n/a	n/a	n/a	n/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 Structure (crystal)
KCNQ (Kv7) potassium channel (Homo sapiens (Human))	BDBM50143558 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents	DrugBank PDB Article PubMed	n/a	n/a	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Agonist activity at human KCNQ4 expressed in CHOK1 cells by whole cell patch clamp assay				ACS Med Chem Lett 10: 27-33 (2019) Article DOI: 10.1021/acsmedchemlett.8b00315
					More data for this Ligand-Target Pair				3D Structure (crystal)
KCNQ (Kv7) potassium channel (Homo sapiens (Human))	BDBM50143558 (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)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents	DrugBank Article PubMed	n/a	n/a	n/a	n/a	3.45E+3	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Agonist activity at human KCNQ5 expressed in CHOK1 cells by whole cell patch clamp assay				ACS Med Chem Lett 10: 27-33 (2019) Article DOI: 10.1021/acsmedchemlett.8b00315
					More data for this Ligand-Target Pair
Voltage-gated potassium channel subunit Kv7.2 (Rattus norvegicus)	BDBM50143558 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	n/a	n/a	2.17E+3	n/a	n/a	n/a	n/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
					More data for this Ligand-Target Pair				3D Structure (crystal)
Voltage-gated potassium channel subunit Kv7.2/Kv7.3 (Homo sapiens (Human))	BDBM50143558 (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)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	n/a	n/a	4.38E+3	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Agonist activity at human KCNQ2/3 expressed in HEK293 cells by FLIPR based thallium influx assay				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.08.007
					More data for this Ligand-Target Pair				3D Structure (crystal)
KCNQ (Kv7) potassium channel (Homo sapiens (Human))	BDBM50143558 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents	DrugBank PDB Article PubMed	n/a	n/a	n/a	n/a	930	n/a	n/a	n/a	n/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
					More data for this Ligand-Target Pair				3D Structure (crystal)
KCNQ (Kv7) potassium channel (Homo sapiens (Human))	BDBM50143558 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents	DrugBank Article PubMed	n/a	n/a	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a
University Federico II of Naples Curated by ChEMBL					Assay Description Activation of human Kv7.3 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
					More data for this Ligand-Target Pair
KCNQ (Kv7) potassium channel (Homo sapiens (Human))	BDBM50143558 (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)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents	DrugBank Article PubMed	n/a	n/a	n/a	n/a	800	n/a	n/a	n/a	n/a
University Federico II of Naples Curated by ChEMBL					Assay Description Activation of human Kv7.5 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
					More data for this Ligand-Target Pair
Voltage-gated potassium channel subunit Kv7.2/Kv7.3 (Homo sapiens (Human))	BDBM50143558 (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)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	n/a	n/a	1.72E+3	n/a	n/a	n/a	n/a
University Federico II of Naples Curated by ChEMBL					Assay Description Activation of human Kv7.2/Kv7.3 expressed in CHO cells assessed as increase in channel current amplitude by whole cell patch clamp electrophysiology ...				J Med Chem 63: 163-185 (2020) Article DOI: 10.1021/acs.jmedchem.9b00796
					More data for this Ligand-Target Pair				3D Structure (crystal)
Voltage-gated potassium channel subunit Kv7.2/Kv7.3 (Homo sapiens (Human))	BDBM50143558 (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)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	n/a	n/a	430	n/a	n/a	n/a	n/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				3D Structure (crystal)