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BDBM50391487 CHEMBL2147217

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

InChI Key: InChIKey=CBBHGGGYBJMVTI-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 = 50391487   
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))
BDBM50391487
PNG
(CHEMBL2147217)
Show SMILES Cc1ncc(cn1)-c1ccccc1CCNC(=O)c1ccc(OCCOCC(F)(F)F)nc1
Show InChI InChI=1S/C23H23F3N4O3/c1-16-28-13-19(14-29-16)20-5-3-2-4-17(20)8-9-27-22(31)18-6-7-21(30-12-18)33-11-10-32-15-23(24,25)26/h2-7,12-14H,8-11,15H2,1H3,(H,27,31)
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antibodypedia
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 398n/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))
BDBM50391487
PNG
(CHEMBL2147217)
Show SMILES Cc1ncc(cn1)-c1ccccc1CCNC(=O)c1ccc(OCCOCC(F)(F)F)nc1
Show InChI InChI=1S/C23H23F3N4O3/c1-16-28-13-19(14-29-16)20-5-3-2-4-17(20)8-9-27-22(31)18-6-7-21(30-12-18)33-11-10-32-15-23(24,25)26/h2-7,12-14H,8-11,15H2,1H3,(H,27,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 3.16E+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))
BDBM50391487
PNG
(CHEMBL2147217)
Show SMILES Cc1ncc(cn1)-c1ccccc1CCNC(=O)c1ccc(OCCOCC(F)(F)F)nc1
Show InChI InChI=1S/C23H23F3N4O3/c1-16-28-13-19(14-29-16)20-5-3-2-4-17(20)8-9-27-22(31)18-6-7-21(30-12-18)33-11-10-32-15-23(24,25)26/h2-7,12-14H,8-11,15H2,1H3,(H,27,31)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a<3.16E+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