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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 = 'BDBM179924'   
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))
BDBM179924
PNG
(US9133131, 15)
Show SMILES C[C@H](NC(=O)c1cc(nc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)[C@H](O)CO)C(O)=O |r|
Show InChI InChI=1S/C22H20FN3O6/c1-12(22(30)31)24-21(29)18-10-17(19(28)11-27)25-20(26-18)13-2-6-15(7-3-13)32-16-8-4-14(23)5-9-16/h2-10,12,19,27-28H,11H2,1H3,(H,24,29)(H,30,31)/t12-,19+/m0/s1
PDB

KEGG

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>2.00E+4n/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