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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 = 'BDBM336821'   
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))
BDBM336821
PNG
(6-((2,2-dimethyl-3- oxopiperazin-1-yl)methyl)-2-(4...)
Show SMILES CC1(C)N(Cc2cc(nc(n2)-c2ccc(Oc3ccc(cc3)C(F)(F)F)cc2)C(N)=O)CCNC1=O
Show InChI InChI=1S/C25H24F3N5O3/c1-24(2)23(35)30-11-12-33(24)14-17-13-20(21(29)34)32-22(31-17)15-3-7-18(8-4-15)36-19-9-5-16(6-10-19)25(26,27)28/h3-10,13H,11-12,14H2,1-2H3,(H2,29,34)(H,30,35)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 627n/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)

More data for this
Ligand-Target Pair