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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 = 'BDBM336823'   
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))
BDBM336823
PNG
(6-(((2S,3R)-2-carbamoyl-3- hydroxypyrrolidin-1-yl)...)
Show SMILES NC(=O)[C@@H]1[C@H](O)CCN1Cc1cc(nc(n1)-c1ccc(Oc2ccc(cc2)C(F)(F)F)cc1)C(N)=O |r|
Show InChI InChI=1S/C24H22F3N5O4/c25-24(26,27)14-3-7-17(8-4-14)36-16-5-1-13(2-6-16)23-30-15(11-18(31-23)21(28)34)12-32-10-9-19(33)20(32)22(29)35/h1-8,11,19-20,33H,9-10,12H2,(H2,28,34)(H2,29,35)/t19-,20+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
46n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Cells Manual Electrophysiology: The hNav1.7 expressing HEK-293 cells are plated on 35 mm culture dishes pre-coated with poly-D-lysine in standard DME...


US Patent US9745287 (2017)


BindingDB Entry DOI: 10.7270/Q2SJ1NRC
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM336823
PNG
(6-(((2S,3R)-2-carbamoyl-3- hydroxypyrrolidin-1-yl)...)
Show SMILES NC(=O)[C@@H]1[C@H](O)CCN1Cc1cc(nc(n1)-c1ccc(Oc2ccc(cc2)C(F)(F)F)cc1)C(N)=O |r|
Show InChI InChI=1S/C24H22F3N5O4/c25-24(26,27)14-3-7-17(8-4-14)36-16-5-1-13(2-6-16)23-30-15(11-18(31-23)21(28)34)12-32-10-9-19(33)20(32)22(29)35/h1-8,11,19-20,33H,9-10,12H2,(H2,28,34)(H2,29,35)/t19-,20+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 94n/an/an/an/an/an/a



Purdue Pharma L.P.

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 US9745287 (2017)


BindingDB Entry DOI: 10.7270/Q2SJ1NRC
More data for this
Ligand-Target Pair