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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 = 'BDBM185912'   
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))
BDBM185912
PNG
(US9163008, 1 | US9656968, Compound 1)
Show SMILES C[C@H](Nc1cc(nc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)C(N)=O)C(N)=O |r|
Show InChI InChI=1S/C20H18FN5O3/c1-11(18(22)27)24-17-10-16(19(23)28)25-20(26-17)12-2-6-14(7-3-12)29-15-8-4-13(21)5-9-15/h2-11H,1H3,(H2,22,27)(H2,23,28)(H,24,25,26)/t11-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem

Similars

US Patent
57n/an/an/an/an/an/a7.4n/a



Purdue Pharma, L.P.

US Patent


Assay Description
For electrophysiological recordings the external solution was either standard, DMEM supplemented with 10 mM HEPES (pH adjusted to 7.34 with NaOH and ...


US Patent US9163008 (2015)


BindingDB Entry DOI: 10.7270/Q2G44P21
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM185912
PNG
(US9163008, 1 | US9656968, Compound 1)
Show SMILES C[C@H](Nc1cc(nc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)C(N)=O)C(N)=O |r|
Show InChI InChI=1S/C20H18FN5O3/c1-11(18(22)27)24-17-10-16(19(23)28)25-20(26-17)12-2-6-14(7-3-12)29-15-8-4-13(21)5-9-15/h2-11H,1H3,(H2,22,27)(H2,23,28)(H,24,25,26)/t11-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
57n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
Cells: The hNav1.7 expressing HEK-293 cells were plated on 35 mm culture dishes pre-coated with poly-D-lysine in standard DMEM culture media (Mediate...


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))
BDBM185912
PNG
(US9163008, 1 | US9656968, Compound 1)
Show SMILES C[C@H](Nc1cc(nc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)C(N)=O)C(N)=O |r|
Show InChI InChI=1S/C20H18FN5O3/c1-11(18(22)27)24-17-10-16(19(23)28)25-20(26-17)12-2-6-14(7-3-12)29-15-8-4-13(21)5-9-15/h2-11H,1H3,(H2,22,27)(H2,23,28)(H,24,25,26)/t11-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 420n/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))
BDBM185912
PNG
(US9163008, 1 | US9656968, Compound 1)
Show SMILES C[C@H](Nc1cc(nc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)C(N)=O)C(N)=O |r|
Show InChI InChI=1S/C20H18FN5O3/c1-11(18(22)27)24-17-10-16(19(23)28)25-20(26-17)12-2-6-14(7-3-12)29-15-8-4-13(21)5-9-15/h2-11H,1H3,(H2,22,27)(H2,23,28)(H,24,25,26)/t11-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 420n/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