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BDBM50330940 CHEMBL1276881::N-((2-Chloropyridin-3-yl)methyl)-6-(4-(trifluoromethoxy)phenyl)pyrazine-2-carboxamide

SMILES: FC(F)(F)Oc1ccc(cc1)-c1cncc(n1)C(=O)NCc1cccnc1Cl

InChI Key: InChIKey=RJLVNBBRFOUABG-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50330940   
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 X alpha subunit


(Mus musculus)
BDBM50330940
PNG
(CHEMBL1276881 | N-((2-Chloropyridin-3-yl)methyl)-6...)
Show SMILES FC(F)(F)Oc1ccc(cc1)-c1cncc(n1)C(=O)NCc1cccnc1Cl
Show InChI InChI=1S/C18H12ClF3N4O2/c19-16-12(2-1-7-24-16)8-25-17(27)15-10-23-9-14(26-15)11-3-5-13(6-4-11)28-18(20,21)22/h1-7,9-10H,8H2,(H,25,27)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.03E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse NaV1.8 expressed in HEK293 cells by isotopic efflux assay


Bioorg Med Chem 18: 7816-25 (2010)


Article DOI: 10.1016/j.bmc.2010.09.057
BindingDB Entry DOI: 10.7270/Q24B31KG
More data for this
Ligand-Target Pair
Sodium channel protein type 10 subunit alpha


(Homo sapiens (Human))
BDBM50330940
PNG
(CHEMBL1276881 | N-((2-Chloropyridin-3-yl)methyl)-6...)
Show SMILES FC(F)(F)Oc1ccc(cc1)-c1cncc(n1)C(=O)NCc1cccnc1Cl
Show InChI InChI=1S/C18H12ClF3N4O2/c19-16-12(2-1-7-24-16)8-25-17(27)15-10-23-9-14(26-15)11-3-5-13(6-4-11)28-18(20,21)22/h1-7,9-10H,8H2,(H,25,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 99n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NaV1.8 expressed in HEK293 cells by conventional voltageclamp electrophysiology assay


Bioorg Med Chem 18: 7816-25 (2010)


Article DOI: 10.1016/j.bmc.2010.09.057
BindingDB Entry DOI: 10.7270/Q24B31KG
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.8


(Rattus norvegicus (Rat))
BDBM50330940
PNG
(CHEMBL1276881 | N-((2-Chloropyridin-3-yl)methyl)-6...)
Show SMILES FC(F)(F)Oc1ccc(cc1)-c1cncc(n1)C(=O)NCc1cccnc1Cl
Show InChI InChI=1S/C18H12ClF3N4O2/c19-16-12(2-1-7-24-16)8-25-17(27)15-10-23-9-14(26-15)11-3-5-13(6-4-11)28-18(20,21)22/h1-7,9-10H,8H2,(H,25,27)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 90n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of tetrodotoxin-resistant NaV1.8 in rat dorsal root ganglion neurons at holding potential -100 mV by whole-cell patch clamp electrophysiol...


Bioorg Med Chem 18: 7816-25 (2010)


Article DOI: 10.1016/j.bmc.2010.09.057
BindingDB Entry DOI: 10.7270/Q24B31KG
More data for this
Ligand-Target Pair
Sodium channel protein type 2 alpha subunit


(Homo sapiens (Human))
BDBM50330940
PNG
(CHEMBL1276881 | N-((2-Chloropyridin-3-yl)methyl)-6...)
Show SMILES FC(F)(F)Oc1ccc(cc1)-c1cncc(n1)C(=O)NCc1cccnc1Cl
Show InChI InChI=1S/C18H12ClF3N4O2/c19-16-12(2-1-7-24-16)8-25-17(27)15-10-23-9-14(26-15)11-3-5-13(6-4-11)28-18(20,21)22/h1-7,9-10H,8H2,(H,25,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.90E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NaV1.2 by electrophysiology


Bioorg Med Chem 18: 7816-25 (2010)


Article DOI: 10.1016/j.bmc.2010.09.057
BindingDB Entry DOI: 10.7270/Q24B31KG
More data for this
Ligand-Target Pair