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BDBM50330934 CHEMBL1277876::N-((2-Pyrrolidin-1-yl-pyridin-3-yl)methyl)-6-(4-chlorophenyl)-pyrazine-2-carboxamide

SMILES: Clc1ccc(cc1)-c1cncc(n1)C(=O)NCc1cccnc1N1CCCC1

InChI Key: InChIKey=XUEHBVFEQMVDHJ-UHFFFAOYSA-N

Data: 4 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50330934   
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 Nav1.8


(Rattus norvegicus (Rat))
BDBM50330934
PNG
(CHEMBL1277876 | N-((2-Pyrrolidin-1-yl-pyridin-3-yl...)
Show SMILES Clc1ccc(cc1)-c1cncc(n1)C(=O)NCc1cccnc1N1CCCC1
Show InChI InChI=1S/C21H20ClN5O/c22-17-7-5-15(6-8-17)18-13-23-14-19(26-18)21(28)25-12-16-4-3-9-24-20(16)27-10-1-2-11-27/h3-9,13-14H,1-2,10-12H2,(H,25,28)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 550n/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))
BDBM50330934
PNG
(CHEMBL1277876 | N-((2-Pyrrolidin-1-yl-pyridin-3-yl...)
Show SMILES Clc1ccc(cc1)-c1cncc(n1)C(=O)NCc1cccnc1N1CCCC1
Show InChI InChI=1S/C21H20ClN5O/c22-17-7-5-15(6-8-17)18-13-23-14-19(26-18)21(28)25-12-16-4-3-9-24-20(16)27-10-1-2-11-27/h3-9,13-14H,1-2,10-12H2,(H,25,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/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
Sodium channel protein type X alpha subunit


(Mus musculus)
BDBM50330934
PNG
(CHEMBL1277876 | N-((2-Pyrrolidin-1-yl-pyridin-3-yl...)
Show SMILES Clc1ccc(cc1)-c1cncc(n1)C(=O)NCc1cccnc1N1CCCC1
Show InChI InChI=1S/C21H20ClN5O/c22-17-7-5-15(6-8-17)18-13-23-14-19(26-18)21(28)25-12-16-4-3-9-24-20(16)27-10-1-2-11-27/h3-9,13-14H,1-2,10-12H2,(H,25,28)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 210n/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 2 alpha subunit


(Homo sapiens (Human))
BDBM50330934
PNG
(CHEMBL1277876 | N-((2-Pyrrolidin-1-yl-pyridin-3-yl...)
Show SMILES Clc1ccc(cc1)-c1cncc(n1)C(=O)NCc1cccnc1N1CCCC1
Show InChI InChI=1S/C21H20ClN5O/c22-17-7-5-15(6-8-17)18-13-23-14-19(26-18)21(28)25-12-16-4-3-9-24-20(16)27-10-1-2-11-27/h3-9,13-14H,1-2,10-12H2,(H,25,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+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