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BDBM50391506 CHEMBL2147317

SMILES: COc1cnc(cn1)-c1cccc(F)c1C(F)(F)CNC(=O)c1ccc(COCC(F)(F)F)nc1

InChI Key: InChIKey=VLTNDUTWQAZZNQ-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 = 50391506   
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))
BDBM50391506
PNG
(CHEMBL2147317)
Show SMILES COc1cnc(cn1)-c1cccc(F)c1C(F)(F)CNC(=O)c1ccc(COCC(F)(F)F)nc1
Show InChI InChI=1S/C22H18F6N4O3/c1-34-18-9-30-17(8-31-18)15-3-2-4-16(23)19(15)21(24,25)11-32-20(33)13-5-6-14(29-7-13)10-35-12-22(26,27)28/h2-9H,10-12H2,1H3,(H,32,33)
PDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 200n/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))
BDBM50391506
PNG
(CHEMBL2147317)
Show SMILES COc1cnc(cn1)-c1cccc(F)c1C(F)(F)CNC(=O)c1ccc(COCC(F)(F)F)nc1
Show InChI InChI=1S/C22H18F6N4O3/c1-34-18-9-30-17(8-31-18)15-3-2-4-16(23)19(15)21(24,25)11-32-20(33)13-5-6-14(29-7-13)10-35-12-22(26,27)28/h2-9H,10-12H2,1H3,(H,32,33)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+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
BindingDB Entry DOI: 10.7270/Q2B8596S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50391506
PNG
(CHEMBL2147317)
Show SMILES COc1cnc(cn1)-c1cccc(F)c1C(F)(F)CNC(=O)c1ccc(COCC(F)(F)F)nc1
Show InChI InChI=1S/C22H18F6N4O3/c1-34-18-9-30-17(8-31-18)15-3-2-4-16(23)19(15)21(24,25)11-32-20(33)13-5-6-14(29-7-13)10-35-12-22(26,27)28/h2-9H,10-12H2,1H3,(H,32,33)
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