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BDBM50031299 6-(2,3-Dichloro-phenyl)-[1,2,4]triazine-3,5-diamine::6-(2,3-Dichloro-phenyl)-[1,2,4]triazine-3,5-diamine(lamotrigine)::6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine::BW-430C::CHEMBL741::LAMOTRIGINE::Lamictal::Lamictal cd

SMILES: Nc1nnc(c(N)n1)-c1cccc(Cl)c1Cl

InChI Key: InChIKey=PYZRQGJRPPTADH-UHFFFAOYSA-N

Data: 1 KI  23 IC50

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 24 hits for monomerid = 50031299   
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
Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)


(Homo sapiens (Human))
BDBM50031299
PNG
(6-(2,3-Dichloro-phenyl)-[1,2,4]triazine-3,5-diamin...)
Show SMILES Nc1nnc(c(N)n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)
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1.70E+4n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Affinity for inactive human SkM1 sodium channel expressed in HEK293 cells


J Med Chem 47: 1547-52 (2004)

More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Rattus norvegicus)
BDBM50031299
PNG
(6-(2,3-Dichloro-phenyl)-[1,2,4]triazine-3,5-diamin...)
Show SMILES Nc1nnc(c(N)n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)
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n/an/a 3.10E+4n/an/an/an/an/an/a



Ipsen Research Laboratories, Institut Henri Beaufour, 5 avenue du Canada, 91966 Les Ulis, France. anne-marie.liberatore@ipsen.com

Curated by ChEMBL


Assay Description
Concentration required to inhibit [3H]BTX binding to Sodium channel of rat brain


Bioorg Med Chem Lett 14: 3521-3 (2004)

More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.2 (Nav1.2)


(Homo sapiens (Human))
BDBM50031299
PNG
(6-(2,3-Dichloro-phenyl)-[1,2,4]triazine-3,5-diamin...)
Show SMILES Nc1nnc(c(N)n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)
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n/an/a 1.70E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.2 expressed in SHSY5Y cells assessed as reduction in blue fluorescent signal by VSP-FRET assay


ACS Med Chem Lett 6: 650-4 (2015)

More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.3 (Nav1.3)


(Homo sapiens (Human))
BDBM50031299
PNG
(6-(2,3-Dichloro-phenyl)-[1,2,4]triazine-3,5-diamin...)
Show SMILES Nc1nnc(c(N)n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)
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n/an/a 1.70E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.3 expressed in SHSY5Y cells assessed as reduction in blue fluorescent signal by VSP-FRET assay


ACS Med Chem Lett 6: 650-4 (2015)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50031299
PNG
(6-(2,3-Dichloro-phenyl)-[1,2,4]triazine-3,5-diamin...)
Show SMILES Nc1nnc(c(N)n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)
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n/an/a 1.70E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in SHSY5Y cells assessed as reduction in blue fluorescent signal by VSP-FRET assay


ACS Med Chem Lett 6: 650-4 (2015)

More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.8


(Homo sapiens (Human))
BDBM50031299
PNG
(6-(2,3-Dichloro-phenyl)-[1,2,4]triazine-3,5-diamin...)
Show SMILES Nc1nnc(c(N)n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)
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n/an/a 9.80E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.8 expressed in HEK293 cells assessed as reduction in blue fluorescent signal by VSP-FRET assay


ACS Med Chem Lett 6: 650-4 (2015)

More data for this
Ligand-Target Pair
Calcium channel (Type L)


(HUMAN)
BDBM50031299
PNG
(6-(2,3-Dichloro-phenyl)-[1,2,4]triazine-3,5-diamin...)
Show SMILES Nc1nnc(c(N)n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)
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n/an/a 1.58E+6n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of long-lasting type calcium current (hICa) in Chinese Hamster Ovary (CHO) cells expressing hCav1.2 measured using IonWorks Quattro automa...


J Pharmacol Toxicol Methods 70: 246-54 (2014)

More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit Nav1.5


(Homo sapiens (Human))
BDBM50031299
PNG
(6-(2,3-Dichloro-phenyl)-[1,2,4]triazine-3,5-diamin...)
Show SMILES Nc1nnc(c(N)n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)
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n/an/a 3.98E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of fast sodium current (INa) in HEK293 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform


J Pharmacol Toxicol Methods 70: 246-54 (2014)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50031299
PNG
(6-(2,3-Dichloro-phenyl)-[1,2,4]triazine-3,5-diamin...)
Show SMILES Nc1nnc(c(N)n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)
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n/an/a 3.98E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) K1 cells stably expressing hERG measured using I...


J Pharmacol Toxicol Methods 70: 246-54 (2014)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50031299
PNG
(6-(2,3-Dichloro-phenyl)-[1,2,4]triazine-3,5-diamin...)
Show SMILES Nc1nnc(c(N)n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)
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n/an/a 2.51E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of rapid delayed inward rectifying potassium current (IKr) measured using manual patch clamp assay


J Pharmacol Toxicol Methods 70: 246-54 (2014)

More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit Nav1.5


(Homo sapiens (Human))
BDBM50031299
PNG
(6-(2,3-Dichloro-phenyl)-[1,2,4]triazine-3,5-diamin...)
Show SMILES Nc1nnc(c(N)n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of fast sodium current (INa) in Chinese Hamster Ovary (CHO) K1 cells transfected with human Nav1.5 measured using IonWorks Quattro automat...


J Pharmacol Toxicol Methods 70: 246-54 (2014)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50031299
PNG
(6-(2,3-Dichloro-phenyl)-[1,2,4]triazine-3,5-diamin...)
Show SMILES Nc1nnc(c(N)n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)
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n/an/a 2.51E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) cells stable expressing hERG measured using IonW...


J Pharmacol Toxicol Methods 70: 246-54 (2014)

More data for this
Ligand-Target Pair
Calcium channel (Type L)


(HUMAN)
BDBM50031299
PNG
(6-(2,3-Dichloro-phenyl)-[1,2,4]triazine-3,5-diamin...)
Show SMILES Nc1nnc(c(N)n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)
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n/an/a 1.26E+6n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of long-lasting type calcium current (ICaL) in HEK293 cells (alpha1C/beta2a/alpha2delta1) cells measured using IonWorks Barracuda automat...


J Pharmacol Toxicol Methods 70: 246-54 (2014)

More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.8


(Rattus norvegicus (Rat))
BDBM50031299
PNG
(6-(2,3-Dichloro-phenyl)-[1,2,4]triazine-3,5-diamin...)
Show SMILES Nc1nnc(c(N)n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)
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n/an/a 2.50E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Blockade of Nav1.8 channel in rat dorsal root ganglion neurons assessed as inhibition of TTX-R current by whole cell patch clamp technique


Bioorg Med Chem 16: 6379-86 (2008)

More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.8


(Homo sapiens (Human))
BDBM50031299
PNG
(6-(2,3-Dichloro-phenyl)-[1,2,4]triazine-3,5-diamin...)
Show SMILES Nc1nnc(c(N)n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)
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n/an/a 9.60E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Nav1.8 channel expressed in HEK293 cells by whole cell voltage clamp technique


Bioorg Med Chem 16: 6379-86 (2008)

More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.2 (Nav1.2)


(Homo sapiens (Human))
BDBM50031299
PNG
(6-(2,3-Dichloro-phenyl)-[1,2,4]triazine-3,5-diamin...)
Show SMILES Nc1nnc(c(N)n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Nav1.2 channel expressed in HEK293 cells by whole cell voltage clamp technique


Bioorg Med Chem 16: 6379-86 (2008)

More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit Nav1.5


(Homo sapiens (Human))
BDBM50031299
PNG
(6-(2,3-Dichloro-phenyl)-[1,2,4]triazine-3,5-diamin...)
Show SMILES Nc1nnc(c(N)n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)
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n/an/a 6.20E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Nav1.5 channel expressed in HEK293 cells by whole cell voltage clamp technique


Bioorg Med Chem 16: 6379-86 (2008)

More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.2 (Nav1.2)


(Homo sapiens (Human))
BDBM50031299
PNG
(6-(2,3-Dichloro-phenyl)-[1,2,4]triazine-3,5-diamin...)
Show SMILES Nc1nnc(c(N)n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Università degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.2 channel expressed in HEK cells by patch-clamp electrophysiology method


Bioorg Med Chem 17: 3642-8 (2009)

More data for this
Ligand-Target Pair
OPIATE Sigma


(RAT)
BDBM50031299
PNG
(6-(2,3-Dichloro-phenyl)-[1,2,4]triazine-3,5-diamin...)
Show SMILES Nc1nnc(c(N)n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
Inhibition of [3H]pentazocine binding to Opioid receptor sigma 1


Bioorg Med Chem Lett 9: 2521-4 (1999)

More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Rattus norvegicus)
BDBM50031299
PNG
(6-(2,3-Dichloro-phenyl)-[1,2,4]triazine-3,5-diamin...)
Show SMILES Nc1nnc(c(N)n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
Inhibition of [3H]saxitoxin binding to rat brain sodium channel


Bioorg Med Chem Lett 9: 2521-4 (1999)

More data for this
Ligand-Target Pair
Sodium channel protein type II alpha subunit


(Rattus norvegicus)
BDBM50031299
PNG
(6-(2,3-Dichloro-phenyl)-[1,2,4]triazine-3,5-diamin...)
Show SMILES Nc1nnc(c(N)n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)
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n/an/a 3.50E+4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of rat Nav1.2 channel expressed in chinese hamster CHL1610 cells at preconditioning pulse of -67 mV after 2 to 3 mins by whole-cell patch-...


J Med Chem 52: 7528-36 (2009)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50031299
PNG
(6-(2,3-Dichloro-phenyl)-[1,2,4]triazine-3,5-diamin...)
Show SMILES Nc1nnc(c(N)n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)
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n/an/a 2.29E+5n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel in HEK293 cells by voltage-clamp method


Eur J Med Chem 43: 2479-88 (2008)

More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Rattus norvegicus)
BDBM50031299
PNG
(6-(2,3-Dichloro-phenyl)-[1,2,4]triazine-3,5-diamin...)
Show SMILES Nc1nnc(c(N)n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)
PDB

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n/an/a 1.86E+5n/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
Inhibition of [3H]batrachotoxin binding to rat brain sodium channel


Bioorg Med Chem Lett 9: 2521-4 (1999)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel beta subunit Mink/subunit Kv7.1


(Homo sapiens)
BDBM50031299
PNG
(6-(2,3-Dichloro-phenyl)-[1,2,4]triazine-3,5-diamin...)
Show SMILES Nc1nnc(c(N)n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)
PDB

KEGG

UniProtKB/SwissProt

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GoogleScholar
AffyNet 
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CHEMBL
DrugBank
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.58E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of slow delayed inward rectifying potassium current (Iks) in Chinese Hamster Ovary (CHO) cells expressing hKvLQT1/hminK measured using Ion...


J Pharmacol Toxicol Methods 70: 246-54 (2014)

More data for this
Ligand-Target Pair