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BDBM50391508 CHEMBL2147316

SMILES: COc1cnc(cn1)-c1ccccc1C(F)(F)CNC(=O)c1ccc(COCC(F)(F)F)nc1

InChI Key: InChIKey=VAKSCAGQAFHWEJ-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 = 50391508   
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 9 subunit alpha


(Homo sapiens (Human))
BDBM50391508
PNG
(CHEMBL2147316)
Show SMILES COc1cnc(cn1)-c1ccccc1C(F)(F)CNC(=O)c1ccc(COCC(F)(F)F)nc1
Show InChI InChI=1S/C22H19F5N4O3/c1-33-19-10-29-18(9-30-19)16-4-2-3-5-17(16)21(23,24)12-31-20(32)14-6-7-15(28-8-14)11-34-13-22(25,26)27/h2-10H,11-13H2,1H3,(H,31,32)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 251n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell voltage-clamp electrophysiology assay


Bioorg Med Chem Lett 22: 6108-15 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.031
More data for this
Ligand-Target Pair
Sodium channel protein type IX alpha subunit


(Rattus norvegicus)
BDBM50391508
PNG
(CHEMBL2147316)
Show SMILES COc1cnc(cn1)-c1ccccc1C(F)(F)CNC(=O)c1ccc(COCC(F)(F)F)nc1
Show InChI InChI=1S/C22H19F5N4O3/c1-33-19-10-29-18(9-30-19)16-4-2-3-5-17(16)21(23,24)12-31-20(32)14-6-7-15(28-8-14)11-34-13-22(25,26)27/h2-10H,11-13H2,1H3,(H,31,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 900n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of rat Nav1.7 by whole cell voltage-clamp electrophysiology assay


Bioorg Med Chem Lett 22: 6108-15 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.031
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50391508
PNG
(CHEMBL2147316)
Show SMILES COc1cnc(cn1)-c1ccccc1C(F)(F)CNC(=O)c1ccc(COCC(F)(F)F)nc1
Show InChI InChI=1S/C22H19F5N4O3/c1-33-19-10-29-18(9-30-19)16-4-2-3-5-17(16)21(23,24)12-31-20(32)14-6-7-15(28-8-14)11-34-13-22(25,26)27/h2-10H,11-13H2,1H3,(H,31,32)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.16E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5


Bioorg Med Chem Lett 22: 6108-15 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.031
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50391508
PNG
(CHEMBL2147316)
Show SMILES COc1cnc(cn1)-c1ccccc1C(F)(F)CNC(=O)c1ccc(COCC(F)(F)F)nc1
Show InChI InChI=1S/C22H19F5N4O3/c1-33-19-10-29-18(9-30-19)16-4-2-3-5-17(16)21(23,24)12-31-20(32)14-6-7-15(28-8-14)11-34-13-22(25,26)27/h2-10H,11-13H2,1H3,(H,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.51E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel by whole cell voltage-clamp electrophysiology assay


Bioorg Med Chem Lett 22: 6108-15 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.031
More data for this
Ligand-Target Pair