BDBM50117271 1-(2,6-dimethylphenoxy)-2-propanolamine::1-(2,6-dimethylphenoxy)propan-2-amine::2-(2,6-Dimethyl-phenoxy)-1-methyl-ethylamine::2-(2,6-Dimethyl-phenoxy)-1-methyl-ethylamine(mexiletine)::CHEMBL558::MEXILETINE::Mexitil

SMILES CC(N)COc1c(C)cccc1C

InChI Key InChIKey=VLPIATFUUWWMKC-UHFFFAOYSA-N

Data  2 KI  29 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 31 hits for monomerid = 50117271   

TargetSodium channel protein type 9 subunit alpha(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50117271(1-(2,6-dimethylphenoxy)-2-propanolamine | 1-(2,6-d...)
Affinity DataKi:  1.30E+4nMAssay Description:Binding affinity to inactivated human sodium channel Nav1.7 expressed in human HEK293 cells by patch-clamp electrophysiological assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium channel protein type 1/2/3 subunit alpha(Rattus norvegicus)
Boehringer Ingelheim Pharma

Curated by ChEMBL
LigandPNGBDBM50117271(1-(2,6-dimethylphenoxy)-2-propanolamine | 1-(2,6-d...)
Affinity DataKi:  2.27E+4nMAssay Description:Displacement of [3H]BTX from sodium channel of rat cerebral cortex synaptosomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium channel protein type 9 subunit alpha(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50117271(1-(2,6-dimethylphenoxy)-2-propanolamine | 1-(2,6-d...)
Affinity DataIC50:  5.60E+4nMAssay Description:Inhibition of 20% inactivated human sodium channel Nav1.7 expressed in human HEK293 cells by patch-clamp electrophysiological assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium channel protein type 9 subunit alpha(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50117271(1-(2,6-dimethylphenoxy)-2-propanolamine | 1-(2,6-d...)
Affinity DataIC50:  5.60E+7nMAssay Description:Antagonist activity at 20% inactivated human sodium channel Nav1.7 expressed in human HEK293 cells by patch-clamp electrophysiological assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium channel protein type 7 subunit alpha(Homo sapiens (Human))
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM50117271(1-(2,6-dimethylphenoxy)-2-propanolamine | 1-(2,6-d...)
Affinity DataIC50:  4.30E+4nMAssay Description:Inhibition of Na channel (species unknown)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50117271(1-(2,6-dimethylphenoxy)-2-propanolamine | 1-(2,6-d...)
Affinity DataIC50:  1.00E+5nMAssay Description:Inhibition of voltage-gated L-type Ca channel (species unknown)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM50117271(1-(2,6-dimethylphenoxy)-2-propanolamine | 1-(2,6-d...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of hERG K channelMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2J2(Homo sapiens (Human))
Tongji University

Curated by ChEMBL
LigandPNGBDBM50117271(1-(2,6-dimethylphenoxy)-2-propanolamine | 1-(2,6-d...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium channel protein type 10 subunit alpha(Rattus norvegicus (Rat))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50117271(1-(2,6-dimethylphenoxy)-2-propanolamine | 1-(2,6-d...)
Affinity DataIC50:  3.10E+4nMAssay Description:Blockade of Nav1.8 channel in rat dorsal root ganglion neurons assessed as inhibition of TTX-R current by whole cell patch clamp techniqueMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium channel protein type 10 subunit alpha(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50117271(1-(2,6-dimethylphenoxy)-2-propanolamine | 1-(2,6-d...)
Affinity DataIC50:  5.60E+4nMAssay Description:Inhibition of human recombinant Nav1.8 channel expressed in HEK293 cells by whole cell voltage clamp techniqueMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium channel protein type 2 subunit alpha(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50117271(1-(2,6-dimethylphenoxy)-2-propanolamine | 1-(2,6-d...)
Affinity DataIC50:  2.90E+3nMAssay Description:Inhibition of human recombinant Nav1.2 channel expressed in HEK293 cells by whole cell voltage clamp techniqueMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium channel protein type 5 subunit alpha(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50117271(1-(2,6-dimethylphenoxy)-2-propanolamine | 1-(2,6-d...)
Affinity DataIC50:  1.30E+4nMAssay Description:Inhibition of human recombinant Nav1.5 channel expressed in HEK293 cells by whole cell voltage clamp techniqueMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSodium channel protein type 1 subunit alpha(Homo sapiens (Human))
Daiichi Sankyo

Curated by ChEMBL
LigandPNGBDBM50117271(1-(2,6-dimethylphenoxy)-2-propanolamine | 1-(2,6-d...)
Affinity DataIC50:  1.10E+4nMAssay Description:Inhibition of human NaV1.1 by IonWorks quattro automated electrophysiology assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium channel protein type 5 subunit alpha(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50117271(1-(2,6-dimethylphenoxy)-2-propanolamine | 1-(2,6-d...)
Affinity DataIC50:  7.80E+3nMAssay Description:Inhibition of human NaV1.5 by IonWorks quattro automated electrophysiology assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSodium channel protein type 9 subunit alpha(Mus musculus)
Daiichi Sankyo

Curated by ChEMBL
LigandPNGBDBM50117271(1-(2,6-dimethylphenoxy)-2-propanolamine | 1-(2,6-d...)
Affinity DataIC50:  1.10E+4nMAssay Description:Inhibition of mouse NaV1.7 by IonWorks quattro automated electrophysiology assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium channel protein type 1 subunit alpha [1489-1708](Mus musculus)
Daiichi Sankyo

Curated by ChEMBL
LigandPNGBDBM50117271(1-(2,6-dimethylphenoxy)-2-propanolamine | 1-(2,6-d...)
Affinity DataIC50:  2.10E+4nMAssay Description:Inhibition of mouse NaV1.1 by IonWorks quattro automated electrophysiology assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium channel protein type 9 subunit alpha(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50117271(1-(2,6-dimethylphenoxy)-2-propanolamine | 1-(2,6-d...)
Affinity DataIC50:  1.40E+4nMAssay Description:Inhibition of human NaV1.7 by IonWorks quattro automated electrophysiology assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium channel subfamily K member 2(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50117271(1-(2,6-dimethylphenoxy)-2-propanolamine | 1-(2,6-d...)
Affinity DataIC50:  1.73E+5nMAssay Description:Inhibition of of human TREK1 expressed in CHO cells assessed as reduction in channel currentsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium channel subfamily K member 3(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50117271(1-(2,6-dimethylphenoxy)-2-propanolamine | 1-(2,6-d...)
Affinity DataIC50:  9.73E+4nMAssay Description:Inhibition of of TASK1 (unknown origin) expressed in CHO cells assessed as reduction in channel currentsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium channel protein type 10 subunit alpha(Rattus norvegicus (Rat))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50117271(1-(2,6-dimethylphenoxy)-2-propanolamine | 1-(2,6-d...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of Nav1.8 channel in rat dorsal root ganglion neurons assessed as blockade of TTX-R current by patch clamp methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium channel protein type 9 subunit alpha(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50117271(1-(2,6-dimethylphenoxy)-2-propanolamine | 1-(2,6-d...)
Affinity DataIC50:  1.10E+4nMAssay Description:Blockade of human Nav1.7 channel expressed in HEK293 cells by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium channel protein type 5 subunit alpha(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50117271(1-(2,6-dimethylphenoxy)-2-propanolamine | 1-(2,6-d...)
Affinity DataIC50:  4.20E+5nMAssay Description:Blockade of human full-length NaV1.5 expressed in HEK293 cells co-transfected with pCD8-IRES-hbeta1 assessed as 0.1 Hz of half-maximal tonic-induced ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSodium channel protein type 5 subunit alpha(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50117271(1-(2,6-dimethylphenoxy)-2-propanolamine | 1-(2,6-d...)
Affinity DataIC50:  5.80E+4nMAssay Description:Blockade of human full-length NaV1.5 expressed in HEK293 cells co-transfected with pCD8-IRES-hbeta1 assessed as 10 Hz of use-dependent-induced channe...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetATP-binding cassette sub-family C member 3(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50117271(1-(2,6-dimethylphenoxy)-2-propanolamine | 1-(2,6-d...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 4(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50117271(1-(2,6-dimethylphenoxy)-2-propanolamine | 1-(2,6-d...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50117271(1-(2,6-dimethylphenoxy)-2-propanolamine | 1-(2,6-d...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50117271(1-(2,6-dimethylphenoxy)-2-propanolamine | 1-(2,6-d...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium channel protein type 1/2/3 subunit alpha(Rattus norvegicus)
Boehringer Ingelheim Pharma

Curated by ChEMBL
LigandPNGBDBM50117271(1-(2,6-dimethylphenoxy)-2-propanolamine | 1-(2,6-d...)
Affinity DataIC50:  4.70E+4nMAssay Description:Inhibitory effect against veratridine-induced glutamate release from rat brain slicesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium channel protein type 5 subunit alpha(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50117271(1-(2,6-dimethylphenoxy)-2-propanolamine | 1-(2,6-d...)
Affinity DataIC50:  3.00E+3nMAssay Description:Inhibition of Nav1.5 (unknown origin)-mediated late channel currentMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM50117271(1-(2,6-dimethylphenoxy)-2-propanolamine | 1-(2,6-d...)
Affinity DataIC50:  1.00E+4nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium channel protein type 9 subunit alpha(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50117271(1-(2,6-dimethylphenoxy)-2-propanolamine | 1-(2,6-d...)
Affinity DataIC50:  3.40E+5nMAssay Description:Inhibition of fully inactivated human sodium channel Nav1.7 expressed in human HEK293 cells by patch-clamp electrophysiological assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed