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SMILES: FCCCc1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F

InChI Key: InChIKey=QPUGIOGBTKOBIV-LJQANCHMSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 371734   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM371734
PNG
(4-(2-(3-fluoropropyl)-4-(trifluoromethyl)phenyl)-N...)
Show SMILES FCCCc1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F |r|
Show InChI InChI=1S/C23H21F4N3O3S/c24-9-1-2-15-12-16(23(25,26)27)3-5-18(15)19-8-11-33-21-13-17(4-6-20(19)21)34(31,32)30-22-7-10-28-14-29-22/h3-7,10,12-14,19H,1-2,8-9,11H2,(H,28,29,30)/t19-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.700n/an/an/an/an/an/a



University of California at San Francisco



Assay Description
HEK-293 cells overexpressing the channel of interest were seeded in a 96-well plate at a density of 30000 cells/well and incubated at 37° C./5% CO2 f...


J Med Chem 51: 545-52 (2008)


BindingDB Entry DOI: 10.7270/Q2NG4SZX
More data for this
Ligand-Target Pair