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BDBM50017659 2-(Dimethylamino)ethyl p-(butylamino)benzoate::2-(dimethylamino)ethyl 4-(butylamino)benzoate::CHEMBL698::Diaethylaminoaethanol ester der p-butylaminobenzoesaeure::TETRACAINE::p-Butylaminobenzoyl-2-dimethylaminoethanol

SMILES: CCCCNc1ccc(cc1)C(=O)OCCN(C)C

InChI Key: InChIKey=GKCBAIGFKIBETG-UHFFFAOYSA-N

Data: 2 KI  18 IC50  2 Kd

PDB links: 6 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 22 hits for monomerid = 50017659   
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
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50017659
PNG
(2-(Dimethylamino)ethyl p-(butylamino)benzoate | 2-...)
Show SMILES CCCCNc1ccc(cc1)C(=O)OCCN(C)C
Show InChI InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3
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PubMed
500n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]BTX from human Nav1.7 expressed in human HEK293 cells after 1 hr by MicroBeta analyzer


J Med Chem 54: 4427-45 (2011)


Article DOI: 10.1021/jm200018k
BindingDB Entry DOI: 10.7270/Q2N016W1
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50017659
PNG
(2-(Dimethylamino)ethyl p-(butylamino)benzoate | 2-...)
Show SMILES CCCCNc1ccc(cc1)C(=O)OCCN(C)C
Show InChI InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3
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1.20E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(3-(4-(4-(Benzyloxy)piperidin-1-yl)-1,3,5-triazin-2-ylamino)-phenyl)acetamide from human Nav1.7 expressed in human HEK293 cells...


J Med Chem 54: 4427-45 (2011)


Article DOI: 10.1021/jm200018k
BindingDB Entry DOI: 10.7270/Q2N016W1
More data for this
Ligand-Target Pair
cGMP-gated cation channel alpha 1


(Bos taurus)
BDBM50017659
PNG
(2-(Dimethylamino)ethyl p-(butylamino)benzoate | 2-...)
Show SMILES CCCCNc1ccc(cc1)C(=O)OCCN(C)C
Show InChI InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3
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n/an/an/a 6.80E+3n/an/an/an/an/a



Oregon Health and Science University

Curated by ChEMBL


Assay Description
Apparent dissociation constant against Cyclic nucleotide gated channel alpha 1 at +40 mV


J Med Chem 48: 5805-12 (2005)


Article DOI: 10.1021/jm0502485
BindingDB Entry DOI: 10.7270/Q2BC40BH
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50017659
PNG
(2-(Dimethylamino)ethyl p-(butylamino)benzoate | 2-...)
Show SMILES CCCCNc1ccc(cc1)C(=O)OCCN(C)C
Show InChI InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3
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n/an/a 620n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human NaV1.7 alpha subunit expressed in HEK293 cells at -90 mV holding potential by patch clamp electrophysiological assay


J Med Chem 55: 6866-80 (2012)


Article DOI: 10.1021/jm300623u
BindingDB Entry DOI: 10.7270/Q2M909SB
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50017659
PNG
(2-(Dimethylamino)ethyl p-(butylamino)benzoate | 2-...)
Show SMILES CCCCNc1ccc(cc1)C(=O)OCCN(C)C
Show InChI InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3
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n/an/a 530n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.5 alpha subunit expressed in CHOK1 cells at -90 mV holding potential by patch clamp electrophysiological assay


J Med Chem 55: 6866-80 (2012)


Article DOI: 10.1021/jm300623u
BindingDB Entry DOI: 10.7270/Q2M909SB
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50017659
PNG
(2-(Dimethylamino)ethyl p-(butylamino)benzoate | 2-...)
Show SMILES CCCCNc1ccc(cc1)C(=O)OCCN(C)C
Show InChI InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3
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n/an/a 110n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human NaV1.7 alpha subunit expressed in HEK293 cells at -65 mV holding potential by patch clamp electrophysiological assay


J Med Chem 55: 6866-80 (2012)


Article DOI: 10.1021/jm300623u
BindingDB Entry DOI: 10.7270/Q2M909SB
More data for this
Ligand-Target Pair
Sodium channel protein type 2 alpha subunit


(Homo sapiens (Human))
BDBM50017659
PNG
(2-(Dimethylamino)ethyl p-(butylamino)benzoate | 2-...)
Show SMILES CCCCNc1ccc(cc1)C(=O)OCCN(C)C
Show InChI InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.2 alpha subunit expressed in CHOK1 cells at -65 mV holding potential by patch clamp electrophysiological assay


J Med Chem 55: 6866-80 (2012)


Article DOI: 10.1021/jm300623u
BindingDB Entry DOI: 10.7270/Q2M909SB
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Rattus norvegicus)
BDBM50017659
PNG
(2-(Dimethylamino)ethyl p-(butylamino)benzoate | 2-...)
Show SMILES CCCCNc1ccc(cc1)C(=O)OCCN(C)C
Show InChI InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]batrachotoxin binding to rat brain neuronal membranes


Bioorg Med Chem Lett 7: 181-186 (1997)


Article DOI: 10.1016/S0960-894X(96)00596-3
BindingDB Entry DOI: 10.7270/Q20G3KN4
More data for this
Ligand-Target Pair
Potassium channel protein TASK-1


(Homo sapiens (Human))
BDBM50017659
PNG
(2-(Dimethylamino)ethyl p-(butylamino)benzoate | 2-...)
Show SMILES CCCCNc1ccc(cc1)C(=O)OCCN(C)C
Show InChI InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3
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n/an/a 6.68E+5n/an/an/an/an/an/a



Universidad de Talca

Curated by ChEMBL


Assay Description
Inhibition of human TASK1 expressed in Xenopus oocytes by whole cell voltage clamp assay


J Med Chem 62: 10044-10058 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00248
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Homo sapiens (Human))
BDBM50017659
PNG
(2-(Dimethylamino)ethyl p-(butylamino)benzoate | 2-...)
Show SMILES CCCCNc1ccc(cc1)C(=O)OCCN(C)C
Show InChI InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3
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n/an/a 3.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea...


J Med Chem 28: 381-8 (1985)


BindingDB Entry DOI: 10.7270/Q2Z321T8
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))
BDBM50017659
PNG
(2-(Dimethylamino)ethyl p-(butylamino)benzoate | 2-...)
Show SMILES CCCCNc1ccc(cc1)C(=O)OCCN(C)C
Show InChI InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3
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n/an/a 5.13E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...


Drug Metab Dispos 40: 2332-41 (2012)


Article DOI: 10.1124/dmd.112.047068
BindingDB Entry DOI: 10.7270/Q2ZP488M
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50017659
PNG
(2-(Dimethylamino)ethyl p-(butylamino)benzoate | 2-...)
Show SMILES CCCCNc1ccc(cc1)C(=O)OCCN(C)C
Show InChI InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3
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n/an/a 200n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 expressed in HEK293 cells at -120 mV holding potential incubated over 5 mins measured at 15 secs interval by Qpatch clamp ...


Bioorg Med Chem Lett 27: 4979-4984 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.010
BindingDB Entry DOI: 10.7270/Q2NS0XGW
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50017659
PNG
(2-(Dimethylamino)ethyl p-(butylamino)benzoate | 2-...)
Show SMILES CCCCNc1ccc(cc1)C(=O)OCCN(C)C
Show InChI InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3
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n/an/a 200n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in CHO-K1 cells at -120 mV holding potential incubated over 5 mins measured at 15 secs interval by Qpatch clamp ...


Bioorg Med Chem Lett 27: 4979-4984 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.010
BindingDB Entry DOI: 10.7270/Q2NS0XGW
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50017659
PNG
(2-(Dimethylamino)ethyl p-(butylamino)benzoate | 2-...)
Show SMILES CCCCNc1ccc(cc1)C(=O)OCCN(C)C
Show InChI InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3
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n/an/a 320n/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293F cells measured at -65 mV holding potential by voltage-patch clamp method


J Med Chem 59: 3373-91 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00063
BindingDB Entry DOI: 10.7270/Q2C250GW
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50017659
PNG
(2-(Dimethylamino)ethyl p-(butylamino)benzoate | 2-...)
Show SMILES CCCCNc1ccc(cc1)C(=O)OCCN(C)C
Show InChI InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3
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n/an/a 56n/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Nav1.7 expressed in HEK293F cells preincubated for 40 mins followed by DiSBAC2 substrate addition measured after 90 m...


J Med Chem 59: 3373-91 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00063
BindingDB Entry DOI: 10.7270/Q2C250GW
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM50017659
PNG
(2-(Dimethylamino)ethyl p-(butylamino)benzoate | 2-...)
Show SMILES CCCCNc1ccc(cc1)C(=O)OCCN(C)C
Show InChI InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3
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n/an/a 740n/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Nav1.3 expressed in HEK293 cells preincubated for 40 mins followed by DiSBAC2 substrate addition measured after 90 mi...


J Med Chem 59: 3373-91 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00063
BindingDB Entry DOI: 10.7270/Q2C250GW
More data for this
Ligand-Target Pair
Sodium channel protein type 2 alpha subunit


(Homo sapiens (Human))
BDBM50017659
PNG
(2-(Dimethylamino)ethyl p-(butylamino)benzoate | 2-...)
Show SMILES CCCCNc1ccc(cc1)C(=O)OCCN(C)C
Show InChI InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3
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n/an/a 490n/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Nav1.2 expressed in HEK293 cells preincubated for 40 mins followed by DiSBAC2 substrate addition measured after 90 mi...


J Med Chem 59: 3373-91 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00063
BindingDB Entry DOI: 10.7270/Q2C250GW
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM50017659
PNG
(2-(Dimethylamino)ethyl p-(butylamino)benzoate | 2-...)
Show SMILES CCCCNc1ccc(cc1)C(=O)OCCN(C)C
Show InChI InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3
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n/an/a 520n/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Nav1.6 expressed in HEK293 cells preincubated for 40 mins followed by DiSBAC2 substrate addition measured after 90 mi...


J Med Chem 59: 3373-91 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00063
BindingDB Entry DOI: 10.7270/Q2C250GW
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50017659
PNG
(2-(Dimethylamino)ethyl p-(butylamino)benzoate | 2-...)
Show SMILES CCCCNc1ccc(cc1)C(=O)OCCN(C)C
Show InChI InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3
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n/an/a 650n/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 expressed in HEK293 cells by whole cell-patch clamp method


J Med Chem 59: 3373-91 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00063
BindingDB Entry DOI: 10.7270/Q2C250GW
More data for this
Ligand-Target Pair
cGMP-gated cation channel alpha 1


(Bos taurus)
BDBM50017659
PNG
(2-(Dimethylamino)ethyl p-(butylamino)benzoate | 2-...)
Show SMILES CCCCNc1ccc(cc1)C(=O)OCCN(C)C
Show InChI InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3
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n/an/an/a 1.20E+4n/an/an/an/an/a



Oregon Health and Science University

Curated by ChEMBL


Assay Description
Apparent dissociation constant against Cyclic nucleotide gated channel alpha 1 at 0 mV


J Med Chem 48: 5805-12 (2005)


Article DOI: 10.1021/jm0502485
BindingDB Entry DOI: 10.7270/Q2BC40BH
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50017659
PNG
(2-(Dimethylamino)ethyl p-(butylamino)benzoate | 2-...)
Show SMILES CCCCNc1ccc(cc1)C(=O)OCCN(C)C
Show InChI InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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Article
PubMed
n/an/a 7.51E+3n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by [14C]guanidinium influx assay


Bioorg Med Chem Lett 21: 3676-81 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.088
BindingDB Entry DOI: 10.7270/Q2PC32PJ
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Homo sapiens (Human))
BDBM50017659
PNG
(2-(Dimethylamino)ethyl p-(butylamino)benzoate | 2-...)
Show SMILES CCCCNc1ccc(cc1)C(=O)OCCN(C)C
Show InChI InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
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CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


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Article
n/an/a 400n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonism of batrachotoxin-mediated sodium ion uptake into cultured neuroblastoma cells


Bioorg Med Chem Lett 7: 181-186 (1997)


Article DOI: 10.1016/S0960-894X(96)00596-3
BindingDB Entry DOI: 10.7270/Q20G3KN4
More data for this
Ligand-Target Pair