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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 50391512   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50391512
PNG
(CHEMBL2147303)
Show SMILES COc1ncc(cn1)-c1ccccc1C(F)(F)CNC(=O)c1ccc(COCC(F)(F)F)nc1
Show InChI InChI=1S/C22H19F5N4O3/c1-33-20-29-9-15(10-30-20)17-4-2-3-5-18(17)21(23,24)12-31-19(32)14-6-7-16(28-8-14)11-34-13-22(25,26)27/h2-10H,11-13H2,1H3,(H,31,32)
PDB

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PC cid
PC sid
UniChem
Article
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n/an/a 631n/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))
BDBM50391512
PNG
(CHEMBL2147303)
Show SMILES COc1ncc(cn1)-c1ccccc1C(F)(F)CNC(=O)c1ccc(COCC(F)(F)F)nc1
Show InChI InChI=1S/C22H19F5N4O3/c1-33-20-29-9-15(10-30-20)17-4-2-3-5-18(17)21(23,24)12-31-19(32)14-6-7-16(28-8-14)11-34-13-22(25,26)27/h2-10H,11-13H2,1H3,(H,31,32)
PDB

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antibodypedia
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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 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))
BDBM50391512
PNG
(CHEMBL2147303)
Show SMILES COc1ncc(cn1)-c1ccccc1C(F)(F)CNC(=O)c1ccc(COCC(F)(F)F)nc1
Show InChI InChI=1S/C22H19F5N4O3/c1-33-20-29-9-15(10-30-20)17-4-2-3-5-18(17)21(23,24)12-31-19(32)14-6-7-16(28-8-14)11-34-13-22(25,26)27/h2-10H,11-13H2,1H3,(H,31,32)
PDB
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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