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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Sodium channel protein type 9 subunit alpha' and Ligand = 'BDBM231302'   
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))
BDBM231302
PNG
(US9346798, 49)
Show SMILES FC(F)(F)c1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2nccs2)c(c1)C#N
Show InChI InChI=1S/C19H13F3N4O3S2/c20-19(21,22)13-1-3-15(12(9-13)11-23)26-6-7-29-17-10-14(2-4-16(17)26)31(27,28)25-18-24-5-8-30-18/h1-5,8-10H,6-7H2,(H,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 15n/an/an/an/an/an/a



AMGEN INC.

US Patent


Assay Description
HEK 293 cells stably transfected with either Nav 1.7 or with Nav 1.5 were recorded in population patch-clamp mode with the IonWorks® Quattro auto...


US Patent US9346798 (2016)


BindingDB Entry DOI: 10.7270/Q24X56N2
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM231302
PNG
(US9346798, 49)
Show SMILES FC(F)(F)c1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2nccs2)c(c1)C#N
Show InChI InChI=1S/C19H13F3N4O3S2/c20-19(21,22)13-1-3-15(12(9-13)11-23)26-6-7-29-17-10-14(2-4-16(17)26)31(27,28)25-18-24-5-8-30-18/h1-5,8-10H,6-7H2,(H,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 190n/an/an/an/an/an/a



Department of Medicinal Chemistry, Amgen Inc., 360 Binney Street, Cambridge, MA 02142, United States. Electronic address: daniel.la@sagerx.com.

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells at holding potential of -125 mV with test potentials to -10 mV by whole cell voltage clamp metho...


Bioorg Med Chem Lett 27: 3477-3485 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.070
BindingDB Entry DOI: 10.7270/Q2H134H4
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM231302
PNG
(US9346798, 49)
Show SMILES FC(F)(F)c1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2nccs2)c(c1)C#N
Show InChI InChI=1S/C19H13F3N4O3S2/c20-19(21,22)13-1-3-15(12(9-13)11-23)26-6-7-29-17-10-14(2-4-16(17)26)31(27,28)25-18-24-5-8-30-18/h1-5,8-10H,6-7H2,(H,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 193n/an/an/an/an/an/a



AMGEN INC.

US Patent


Assay Description
HEK 293 cells stably transfected with human Nav1.7 were recorded in whole cell voltage clamp mode with the PatchXpress automated electrophysiology sy...


US Patent US9346798 (2016)


BindingDB Entry DOI: 10.7270/Q24X56N2
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Rattus norvegicus)
BDBM231302
PNG
(US9346798, 49)
Show SMILES FC(F)(F)c1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2nccs2)c(c1)C#N
Show InChI InChI=1S/C19H13F3N4O3S2/c20-19(21,22)13-1-3-15(12(9-13)11-23)26-6-7-29-17-10-14(2-4-16(17)26)31(27,28)25-18-24-5-8-30-18/h1-5,8-10H,6-7H2,(H,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry, Amgen Inc., 360 Binney Street, Cambridge, MA 02142, United States. Electronic address: daniel.la@sagerx.com.

Curated by ChEMBL


Assay Description
Inhibition of rat NaV1.7 by cell based whole cell voltage clamp method


Bioorg Med Chem Lett 27: 3477-3485 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.070
BindingDB Entry DOI: 10.7270/Q2H134H4
More data for this
Ligand-Target Pair