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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium channel protein type 9 subunit alpha' and Ligand = 'BDBM154019'   
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))
BDBM154019
PNG
(US9012443, 12)
Show SMILES COc1cc(ccc1-c1cccc2cc(ccc12)S(=O)(=O)Nc1ncns1)C(F)(F)F
Show InChI InChI=1S/C20H14F3N3O3S2/c1-29-18-10-13(20(21,22)23)5-7-17(18)16-4-2-3-12-9-14(6-8-15(12)16)31(27,28)26-19-24-11-25-30-19/h2-11H,1H3,(H,24,25,26)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 10n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
293 Cells stably transfected with either Nav 1.7 or Nav 1.5 were recorded in population patch-clamp mode with the IonWorks Quattro automated electrop...


US Patent US9012443 (2015)


BindingDB Entry DOI: 10.7270/Q2N0158J
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM154019
PNG
(US9012443, 12)
Show SMILES COc1cc(ccc1-c1cccc2cc(ccc12)S(=O)(=O)Nc1ncns1)C(F)(F)F
Show InChI InChI=1S/C20H14F3N3O3S2/c1-29-18-10-13(20(21,22)23)5-7-17(18)16-4-2-3-12-9-14(6-8-15(12)16)31(27,28)26-19-24-11-25-30-19/h2-11H,1H3,(H,24,25,26)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 51n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells assessed as inhibition of sodium current at holding potential of -125 mV measured for 3 to 5 min...


ACS Med Chem Lett 7: 1062-1067 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00243
BindingDB Entry DOI: 10.7270/Q2VM4F65
More data for this
Ligand-Target Pair