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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 = 'BDBM185929'   
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))
BDBM185929
PNG
(US9163008, 18 | US9656968, Compound 18)
Show SMILES COC(=O)C(C)(C)Nc1cc(nc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)C(N)=O
Show InChI InChI=1S/C22H21FN4O4/c1-22(2,21(29)30-3)27-18-12-17(19(24)28)25-20(26-18)13-4-8-15(9-5-13)31-16-10-6-14(23)7-11-16/h4-12H,1-3H3,(H2,24,28)(H,25,26,27)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 200n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Assay Buffer: The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL...


US Patent US9656968 (2017)


BindingDB Entry DOI: 10.7270/Q2F76FMS
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM185929
PNG
(US9163008, 18 | US9656968, Compound 18)
Show SMILES COC(=O)C(C)(C)Nc1cc(nc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)C(N)=O
Show InChI InChI=1S/C22H21FN4O4/c1-22(2,21(29)30-3)27-18-12-17(19(24)28)25-20(26-18)13-4-8-15(9-5-13)31-16-10-6-14(23)7-11-16/h4-12H,1-3H3,(H2,24,28)(H,25,26,27)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 200n/an/an/an/an/an/a



Purdue Pharma, L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9163008 (2015)


BindingDB Entry DOI: 10.7270/Q2G44P21
More data for this
Ligand-Target Pair