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BDBM50330933 CHEMBL1277514::N-(3,5-Dimethylphenyl)-6-(4-chlorophenyl)-pyrazine-2-carboxamide

SMILES: Cc1cc(C)cc(NC(=O)c2cncc(n2)-c2ccc(Cl)cc2)c1

InChI Key: InChIKey=QFMYRESYPSSSRX-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 = 50330933   
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)
BDBM50330933
PNG
(CHEMBL1277514 | N-(3,5-Dimethylphenyl)-6-(4-chloro...)
Show SMILES Cc1cc(C)cc(NC(=O)c2cncc(n2)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C19H16ClN3O/c1-12-7-13(2)9-16(8-12)22-19(24)18-11-21-10-17(23-18)14-3-5-15(20)6-4-14/h3-11H,1-2H3,(H,22,24)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 490n/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
Voltage-gated sodium channel subunit alpha Nav1.8


(Rattus norvegicus (Rat))
BDBM50330933
PNG
(CHEMBL1277514 | N-(3,5-Dimethylphenyl)-6-(4-chloro...)
Show SMILES Cc1cc(C)cc(NC(=O)c2cncc(n2)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C19H16ClN3O/c1-12-7-13(2)9-16(8-12)22-19(24)18-11-21-10-17(23-18)14-3-5-15(20)6-4-14/h3-11H,1-2H3,(H,22,24)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 52n/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 10 subunit alpha


(Homo sapiens (Human))
BDBM50330933
PNG
(CHEMBL1277514 | N-(3,5-Dimethylphenyl)-6-(4-chloro...)
Show SMILES Cc1cc(C)cc(NC(=O)c2cncc(n2)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C19H16ClN3O/c1-12-7-13(2)9-16(8-12)22-19(24)18-11-21-10-17(23-18)14-3-5-15(20)6-4-14/h3-11H,1-2H3,(H,22,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3n/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 Nav1.2 (Nav1.2)


(Homo sapiens (Human))
BDBM50330933
PNG
(CHEMBL1277514 | N-(3,5-Dimethylphenyl)-6-(4-chloro...)
Show SMILES Cc1cc(C)cc(NC(=O)c2cncc(n2)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C19H16ClN3O/c1-12-7-13(2)9-16(8-12)22-19(24)18-11-21-10-17(23-18)14-3-5-15(20)6-4-14/h3-11H,1-2H3,(H,22,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.00E+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