new BindingDB logo
myBDB logout

BDBM50391483 CHEMBL2147223

SMILES: COc1ncc(cn1)-c1cccc(Cl)c1CCNC(=O)c1ccc(OCCC(F)(F)F)nc1

InChI Key: InChIKey=MKVIWRSKGWYSJK-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 = 50391483   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50391483
PNG
(CHEMBL2147223)
Show SMILES COc1ncc(cn1)-c1cccc(Cl)c1CCNC(=O)c1ccc(OCCC(F)(F)F)nc1
Show InChI InChI=1S/C22H20ClF3N4O3/c1-32-21-29-12-15(13-30-21)16-3-2-4-18(23)17(16)7-9-27-20(31)14-5-6-19(28-11-14)33-10-8-22(24,25)26/h2-6,11-13H,7-10H2,1H3,(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 3.98E+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
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50391483
PNG
(CHEMBL2147223)
Show SMILES COc1ncc(cn1)-c1cccc(Cl)c1CCNC(=O)c1ccc(OCCC(F)(F)F)nc1
Show InChI InChI=1S/C22H20ClF3N4O3/c1-32-21-29-12-15(13-30-21)16-3-2-4-18(23)17(16)7-9-27-20(31)14-5-6-19(28-11-14)33-10-8-22(24,25)26/h2-6,11-13H,7-10H2,1H3,(H,27,31)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 32n/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))
BDBM50391483
PNG
(CHEMBL2147223)
Show SMILES COc1ncc(cn1)-c1cccc(Cl)c1CCNC(=O)c1ccc(OCCC(F)(F)F)nc1
Show InChI InChI=1S/C22H20ClF3N4O3/c1-32-21-29-12-15(13-30-21)16-3-2-4-18(23)17(16)7-9-27-20(31)14-5-6-19(28-11-14)33-10-8-22(24,25)26/h2-6,11-13H,7-10H2,1H3,(H,27,31)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.01E+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