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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 = 'BDBM185998'   
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))
BDBM185998
PNG
(US9163008, 87 | US9656968, Compound 87)
Show SMILES NC(=O)[C@@H]1CCCN1c1cc(nc(n1)-c1ccc(Oc2cc(Cl)ccc2F)cc1)C(N)=O |r|
Show InChI InChI=1S/C22H19ClFN5O3/c23-13-5-8-15(24)18(10-13)32-14-6-3-12(4-7-14)22-27-16(20(25)30)11-19(28-22)29-9-1-2-17(29)21(26)31/h3-8,10-11,17H,1-2,9H2,(H2,25,30)(H2,26,31)/t17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 140n/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))
BDBM185998
PNG
(US9163008, 87 | US9656968, Compound 87)
Show SMILES NC(=O)[C@@H]1CCCN1c1cc(nc(n1)-c1ccc(Oc2cc(Cl)ccc2F)cc1)C(N)=O |r|
Show InChI InChI=1S/C22H19ClFN5O3/c23-13-5-8-15(24)18(10-13)32-14-6-3-12(4-7-14)22-27-16(20(25)30)11-19(28-22)29-9-1-2-17(29)21(26)31/h3-8,10-11,17H,1-2,9H2,(H2,25,30)(H2,26,31)/t17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 140n/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