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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Sodium channel protein type 9 subunit alpha' and Ligand = 'BDBM344706'   
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))
BDBM344706
PNG
(1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-(4-methyl...)
Show SMILES CC(C)CC(=O)CN1CCN(C1=O)c1cccc2n(ncc12)-c1ccccc1F
Show InChI InChI=1S/C22H23FN4O2/c1-15(2)12-16(28)14-25-10-11-26(22(25)29)19-8-5-9-20-17(19)13-24-27(20)21-7-4-3-6-18(21)23/h3-9,13,15H,10-12,14H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 491n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Two days prior to the experiment, frozen HEK293 cells stably expressing recombinant human Nav1.7 were quickly thawed and plated at 25,000 cells/well ...


US Patent US9783527 (2017)


BindingDB Entry DOI: 10.7270/Q2S184MV
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM344706
PNG
(1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-(4-methyl...)
Show SMILES CC(C)CC(=O)CN1CCN(C1=O)c1cccc2n(ncc12)-c1ccccc1F
Show InChI InChI=1S/C22H23FN4O2/c1-15(2)12-16(28)14-25-10-11-26(22(25)29)19-8-5-9-20-17(19)13-24-27(20)21-7-4-3-6-18(21)23/h3-9,13,15H,10-12,14H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 570n/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Nav1.7 expressed in HEK293F cells preincubated for 40 mins followed by DiSBAC2 substrate addition measured after 90 m...


J Med Chem 59: 3373-91 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00063
BindingDB Entry DOI: 10.7270/Q2C250GW
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM344706
PNG
(1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-(4-methyl...)
Show SMILES CC(C)CC(=O)CN1CCN(C1=O)c1cccc2n(ncc12)-c1ccccc1F
Show InChI InChI=1S/C22H23FN4O2/c1-15(2)12-16(28)14-25-10-11-26(22(25)29)19-8-5-9-20-17(19)13-24-27(20)21-7-4-3-6-18(21)23/h3-9,13,15H,10-12,14H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.10E+3n/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293F cells measured at -65 mV holding potential by Qpatch clamp method


J Med Chem 59: 3373-91 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00063
BindingDB Entry DOI: 10.7270/Q2C250GW
More data for this
Ligand-Target Pair