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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 = 'BDBM170177'   
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))
BDBM170177
PNG
(US9079902, 8)
Show SMILES Cn1nccc1-c1cc(ccc1-c1cn(C)c2cc(ccc12)S(=O)(=O)Nc1ncns1)C(F)(F)F
Show InChI InChI=1S/C22H17F3N6O2S2/c1-30-11-18(15-5-3-13(22(23,24)25)9-17(15)19-7-8-27-31(19)2)16-6-4-14(10-20(16)30)35(32,33)29-21-26-12-28-34-21/h3-12H,1-2H3,(H,26,28,29)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 120n/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
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM170177
PNG
(US9079902, 8)
Show SMILES Cn1nccc1-c1cc(ccc1-c1cn(C)c2cc(ccc12)S(=O)(=O)Nc1ncns1)C(F)(F)F
Show InChI InChI=1S/C22H17F3N6O2S2/c1-30-11-18(15-5-3-13(22(23,24)25)9-17(15)19-7-8-27-31(19)2)16-6-4-14(10-20(16)30)35(32,33)29-21-26-12-28-34-21/h3-12H,1-2H3,(H,26,28,29)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 147n/an/an/an/an/an/a



AMGEN INC.

US Patent


Assay Description
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 automated el...


US Patent US9079902 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FPN
More data for this
Ligand-Target Pair