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BDBM50391513 CHEMBL2147306

SMILES: COc1ncc(cn1)-c1c(C)ccc(F)c1CCNC(=O)c1ccc(OCC(F)(F)F)nc1

InChI Key: InChIKey=KNAMHQUYDHHKAC-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50391513   
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 5 subunit alpha


(Homo sapiens (Human))
BDBM50391513
PNG
(CHEMBL2147306)
Show SMILES COc1ncc(cn1)-c1c(C)ccc(F)c1CCNC(=O)c1ccc(OCC(F)(F)F)nc1
Show InChI InChI=1S/C22H20F4N4O3/c1-13-3-5-17(23)16(19(13)15-10-29-21(32-2)30-11-15)7-8-27-20(31)14-4-6-18(28-9-14)33-12-22(24,25)26/h3-6,9-11H,7-8,12H2,1-2H3,(H,27,31)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.51E+3n/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
BindingDB Entry DOI: 10.7270/Q2B8596S
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50391513
PNG
(CHEMBL2147306)
Show SMILES COc1ncc(cn1)-c1c(C)ccc(F)c1CCNC(=O)c1ccc(OCC(F)(F)F)nc1
Show InChI InChI=1S/C22H20F4N4O3/c1-13-3-5-17(23)16(19(13)15-10-29-21(32-2)30-11-15)7-8-27-20(31)14-4-6-18(28-9-14)33-12-22(24,25)26/h3-6,9-11H,7-8,12H2,1-2H3,(H,27,31)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 25n/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
BindingDB Entry DOI: 10.7270/Q2B8596S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50391513
PNG
(CHEMBL2147306)
Show SMILES COc1ncc(cn1)-c1c(C)ccc(F)c1CCNC(=O)c1ccc(OCC(F)(F)F)nc1
Show InChI InChI=1S/C22H20F4N4O3/c1-13-3-5-17(23)16(19(13)15-10-29-21(32-2)30-11-15)7-8-27-20(31)14-4-6-18(28-9-14)33-12-22(24,25)26/h3-6,9-11H,7-8,12H2,1-2H3,(H,27,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.26E+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
BindingDB Entry DOI: 10.7270/Q2B8596S
More data for this
Ligand-Target Pair