BDBM50344821 10-hydroxymethyl-5-imino-(2S)-12,13-dioxa-4,6-diazatetracyclo[7.3.1.13,11.03,8]tetradecane-1,2,7,10,14-pentaol::10-hydroxymethyl-5-imino-(2S)-12,13-dioxa-4,6-diazatetracyclo[7.3.1.13,11.03,8]tetradecane-1,2,7,10,14-pentaolCitrate::CHEMBL507974::tetrodotoxin

SMILES NC1=N[C@H](O)[C@H]2[C@H]3O[C@]4(O)O[C@@H]([C@@H](O)[C@@]2(N1)[C@@H]4O)[C@]3(O)CO

InChI Key InChIKey=CFMYXEVWODSLAX-QOZOJKKESA-N

Data  21 IC50  1 Kd

PDB links: 4 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 50344821   

TargetSodium channel protein type 2 subunit alpha(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50344821(10-hydroxymethyl-5-imino-(2S)-12,13-dioxa-4,6-diaz...)
Affinity DataIC50: <30nMAssay Description:Inhibition of voltage-gated Na channel 1.2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium channel protein type 1/2/3/4/5/8/9/10/11 subunit alpha(Rattus norvegicus)
Tohoku University

Curated by ChEMBL
LigandPNGBDBM50344821(10-hydroxymethyl-5-imino-(2S)-12,13-dioxa-4,6-diaz...)
Affinity DataKd:  1.80nMAssay Description:Displacement of [3H]saxitoxin from NaV in rat brain membranesMore data for this Ligand-Target Pair
TargetSodium channel protein type 3 subunit alpha(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50344821(10-hydroxymethyl-5-imino-(2S)-12,13-dioxa-4,6-diaz...)
Affinity DataIC50: <30nMAssay Description:Inhibition of voltage-gated Na channel 1.3 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium channel protein type 11 subunit alpha(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50344821(10-hydroxymethyl-5-imino-(2S)-12,13-dioxa-4,6-diaz...)
Affinity DataIC50: <30nMAssay Description:Inhibition of voltage-gated Na channel 1.9 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium channel protein type 1 subunit alpha(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50344821(10-hydroxymethyl-5-imino-(2S)-12,13-dioxa-4,6-diaz...)
Affinity DataIC50: <30nMAssay Description:Inhibition of voltage-gated Na channel 1.1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium channel protein type 4 subunit alpha(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50344821(10-hydroxymethyl-5-imino-(2S)-12,13-dioxa-4,6-diaz...)
Affinity DataIC50: <30nMAssay Description:Inhibition of voltage-gated Na channel 1.4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium channel protein type 9 subunit alpha(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50344821(10-hydroxymethyl-5-imino-(2S)-12,13-dioxa-4,6-diaz...)
Affinity DataIC50: <30nMAssay Description:Inhibition of voltage-gated Na channel 1.7 (unknown origin)More data for this Ligand-Target Pair
TargetSodium channel protein type 9 subunit alpha(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50344821(10-hydroxymethyl-5-imino-(2S)-12,13-dioxa-4,6-diaz...)
Affinity DataIC50:  6nMAssay Description:Inhibition of human NaV1.7 expressed in HEK293 cells by [14C]guanidinium influx assayMore data for this Ligand-Target Pair
TargetSodium channel protein type 2 subunit alpha(Rattus norvegicus)
Cambridge Neuroscience

Curated by ChEMBL
LigandPNGBDBM50344821(10-hydroxymethyl-5-imino-(2S)-12,13-dioxa-4,6-diaz...)
Affinity DataIC50:  4nMAssay Description:In vitro inhibition of [14C]- guanidinium influx in Chinese hamster ovary (CHO) cells expressing rat brain sodium channel type IIA (CNaIIA-1)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium channel protein type 2 subunit alpha(Rattus norvegicus)
Cambridge Neuroscience

Curated by ChEMBL
LigandPNGBDBM50344821(10-hydroxymethyl-5-imino-(2S)-12,13-dioxa-4,6-diaz...)
Affinity DataIC50:  14nMAssay Description:Inhibition of Na+ influx in chinese hamster ovary cells expressing rat brain sodium channel type IIAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium channel protein type 10 subunit alpha(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50344821(10-hydroxymethyl-5-imino-(2S)-12,13-dioxa-4,6-diaz...)
Affinity DataIC50: >30nMAssay Description:Inhibition of voltage-gated Na channel 1.8 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium channel protein type 5 subunit alpha(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50344821(10-hydroxymethyl-5-imino-(2S)-12,13-dioxa-4,6-diaz...)
Affinity DataIC50: >30nMAssay Description:Inhibition of voltage-gated Na channel 1.5 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium channel protein type 11 subunit alpha(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50344821(10-hydroxymethyl-5-imino-(2S)-12,13-dioxa-4,6-diaz...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of human Nav1.9 expressed in HEK293 cells by electrophysiology assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium channel protein type 1 subunit alpha(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50344821(10-hydroxymethyl-5-imino-(2S)-12,13-dioxa-4,6-diaz...)
Affinity DataIC50:  4.10nMAssay Description:Inhibition of human Nav1.1 expressed in HEK293 cells by electrophysiology assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium channel protein type 3 subunit alpha(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50344821(10-hydroxymethyl-5-imino-(2S)-12,13-dioxa-4,6-diaz...)
Affinity DataIC50:  5.30nMAssay Description:Inhibition of human Nav1.3 expressed in HEK293 cells by electrophysiology assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium channel protein type 5 subunit alpha(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50344821(10-hydroxymethyl-5-imino-(2S)-12,13-dioxa-4,6-diaz...)
Affinity DataIC50:  1.00E+3nMAssay Description:Inhibition of human Nav1.5 expressed in HEK293 cells by electrophysiology assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium channel protein type 10 subunit alpha(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50344821(10-hydroxymethyl-5-imino-(2S)-12,13-dioxa-4,6-diaz...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of human Nav1.8 expressed in HEK293 cells by electrophysiology assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium channel protein type 7 subunit alpha(Homo sapiens (Human))
Siteone Therapeutics

Curated by ChEMBL
LigandPNGBDBM50344821(10-hydroxymethyl-5-imino-(2S)-12,13-dioxa-4,6-diaz...)
Affinity DataIC50:  36nMAssay Description:Inhibition of human Nav1.7 expressed in HEK293 cells by electrophysiology assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium channel protein type 2 subunit alpha(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50344821(10-hydroxymethyl-5-imino-(2S)-12,13-dioxa-4,6-diaz...)
Affinity DataIC50:  14nMAssay Description:Inhibition of human Nav1.2 expressed in HEK293 cells by electrophysiology assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium channel protein type 4 subunit alpha(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50344821(10-hydroxymethyl-5-imino-(2S)-12,13-dioxa-4,6-diaz...)
Affinity DataIC50:  7.60nMAssay Description:Inhibition of human Nav1.4 expressed in HEK293 cells by electrophysiology assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium channel protein type 8 subunit alpha(Homo sapiens (Human))
Siteone Therapeutics

Curated by ChEMBL
LigandPNGBDBM50344821(10-hydroxymethyl-5-imino-(2S)-12,13-dioxa-4,6-diaz...)
Affinity DataIC50:  2.30nMAssay Description:Inhibition of human Nav1.6 expressed in HEK293 cells by electrophysiology assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium channel protein type 8 subunit alpha(Homo sapiens (Human))
Siteone Therapeutics

Curated by ChEMBL
LigandPNGBDBM50344821(10-hydroxymethyl-5-imino-(2S)-12,13-dioxa-4,6-diaz...)
Affinity DataIC50: <30nMAssay Description:Inhibition of voltage-gated Na channel 1.6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed