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BDBM50391494 CHEMBL2147219

SMILES: Cc1ncc(cn1)-c1ccccc1CCNC(=O)c1ccc(nc1)C(=O)NCCCC(F)(F)F

InChI Key: InChIKey=QHVBHCXARAVYMC-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 = 50391494   
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))
BDBM50391494
PNG
(CHEMBL2147219)
Show SMILES Cc1ncc(cn1)-c1ccccc1CCNC(=O)c1ccc(nc1)C(=O)NCCCC(F)(F)F
Show InChI InChI=1S/C24H24F3N5O2/c1-16-30-14-19(15-31-16)20-6-3-2-5-17(20)9-12-29-22(33)18-7-8-21(32-13-18)23(34)28-11-4-10-24(25,26)27/h2-3,5-8,13-15H,4,9-12H2,1H3,(H,28,34)(H,29,33)
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
BindingDB Entry DOI: 10.7270/Q2B8596S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50391494
PNG
(CHEMBL2147219)
Show SMILES Cc1ncc(cn1)-c1ccccc1CCNC(=O)c1ccc(nc1)C(=O)NCCCC(F)(F)F
Show InChI InChI=1S/C24H24F3N5O2/c1-16-30-14-19(15-31-16)20-6-3-2-5-17(20)9-12-29-22(33)18-7-8-21(32-13-18)23(34)28-11-4-10-24(25,26)27/h2-3,5-8,13-15H,4,9-12H2,1H3,(H,28,34)(H,29,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+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
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50391494
PNG
(CHEMBL2147219)
Show SMILES Cc1ncc(cn1)-c1ccccc1CCNC(=O)c1ccc(nc1)C(=O)NCCCC(F)(F)F
Show InChI InChI=1S/C24H24F3N5O2/c1-16-30-14-19(15-31-16)20-6-3-2-5-17(20)9-12-29-22(33)18-7-8-21(32-13-18)23(34)28-11-4-10-24(25,26)27/h2-3,5-8,13-15H,4,9-12H2,1H3,(H,28,34)(H,29,33)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.31E+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