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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium channel protein type 9 subunit alpha' and Ligand = 'BDBM179914'   
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))
BDBM179914
PNG
(US9133131, 5)
Show SMILES NC(=O)c1cc(nc(n1)-c1ccc(Oc2ccc(cc2C(F)(F)F)[N+]#[C-])cc1)[C@H](O)CO |r|
Show InChI InChI=1S/C21H15F3N4O4/c1-26-12-4-7-18(14(8-12)21(22,23)24)32-13-5-2-11(3-6-13)20-27-15(17(30)10-29)9-16(28-20)19(25)31/h2-9,17,29-30H,10H2,(H2,25,31)/t17-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 526n/an/an/an/a7.3n/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 US9133131 (2015)


BindingDB Entry DOI: 10.7270/Q23B5XX5
More data for this
Ligand-Target Pair