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 C([C@@]1([C@H]2[C@@H]3[C@H](N=C(N[C@@]34[C@@H]([C@@H]1O[C@]([C@H]4O)(O2)O)O)N)O)O)O

InChI Key InChIKey=CFMYXEVWODSLAX-UHFFFAOYSA-N

Data  21 IC50  1 Kd

PDB links: 4 PDB IDs match this monomer.

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 50344821   

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 Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
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
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSodium channel protein type 8 subunit alpha(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 Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetSodium channel protein type 4 subunit alpha(Human)
Siteone Therapeutics

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 Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetSodium channel protein type 2 subunit alpha(Human)
Siteone Therapeutics

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 Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetSodium channel protein type 7 subunit alpha(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 Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetSodium channel protein type 10 subunit alpha(Human)
Siteone Therapeutics

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 Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
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 Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetSodium channel protein type 3 subunit alpha(Human)
Siteone Therapeutics

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 Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetSodium channel protein type 1 subunit alpha(Human)
Siteone Therapeutics

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 Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetSodium channel protein type 11 subunit alpha(Human)
Siteone Therapeutics

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 Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetSodium channel protein type 2 subunit alpha(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 1.2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetSodium channel protein type 10 subunit alpha(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 1.8 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetSodium channel protein type 2 subunit alpha(Rat)
Warner-Lambert

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 Depth
Date in BDB:
10/28/2012
Entry Details Article
PubMed
TargetSodium channel protein type 2 subunit alpha(Rat)
Warner-Lambert

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 Depth
Date in BDB:
11/7/2012
Entry Details Article
PubMed
TargetSodium channel protein type 9 subunit alpha(Human)
Xenon Pharmaceuticals

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
In Depth
Date in BDB:
12/4/2011
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSodium channel protein type 9 subunit alpha(Human)
Xenon Pharmaceuticals

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
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSodium channel protein type 4 subunit alpha(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 1.4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetSodium channel protein type 1 subunit alpha(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 1.1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetSodium channel protein type 11 subunit alpha(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 1.9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetSodium channel protein type 3 subunit alpha(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 1.3 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetSodium channel protein type 8 subunit alpha(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 Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed