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BDBM50391489 CHEMBL2147212

SMILES: FC(F)Oc1cnc(cn1)-c1ccccc1CCNC(=O)c1ccc(OCCC(F)(F)F)nc1

InChI Key: InChIKey=SJCKKJUEVXMIOE-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 = 50391489   
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))
BDBM50391489
PNG
(CHEMBL2147212)
Show SMILES FC(F)Oc1cnc(cn1)-c1ccccc1CCNC(=O)c1ccc(OCCC(F)(F)F)nc1
Show InChI InChI=1S/C22H19F5N4O3/c23-21(24)34-19-13-29-17(12-31-19)16-4-2-1-3-14(16)7-9-28-20(32)15-5-6-18(30-11-15)33-10-8-22(25,26)27/h1-6,11-13,21H,7-10H2,(H,28,32)
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
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50391489
PNG
(CHEMBL2147212)
Show SMILES FC(F)Oc1cnc(cn1)-c1ccccc1CCNC(=O)c1ccc(OCCC(F)(F)F)nc1
Show InChI InChI=1S/C22H19F5N4O3/c23-21(24)34-19-13-29-17(12-31-19)16-4-2-1-3-14(16)7-9-28-20(32)15-5-6-18(30-11-15)33-10-8-22(25,26)27/h1-6,11-13,21H,7-10H2,(H,28,32)
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50391489
PNG
(CHEMBL2147212)
Show SMILES FC(F)Oc1cnc(cn1)-c1ccccc1CCNC(=O)c1ccc(OCCC(F)(F)F)nc1
Show InChI InChI=1S/C22H19F5N4O3/c23-21(24)34-19-13-29-17(12-31-19)16-4-2-1-3-14(16)7-9-28-20(32)15-5-6-18(30-11-15)33-10-8-22(25,26)27/h1-6,11-13,21H,7-10H2,(H,28,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.31E+3n/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