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SMILES: FCCc1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F

InChI Key: InChIKey=ZOIWLLUKZWWVRB-GOSISDBHSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 371729   
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 5 subunit alpha


(Homo sapiens (Human))
BDBM371729
PNG
(4-(2-(2-fluoroethyl)-4-(trifluoromethyl)phenyl)-N-...)
Show SMILES FCCc1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F |r|
Show InChI InChI=1S/C22H19F4N3O3S/c23-8-5-14-11-15(22(24,25)26)1-3-17(14)18-7-10-32-20-12-16(2-4-19(18)20)33(30,31)29-21-6-9-27-13-28-21/h1-4,6,9,11-13,18H,5,7-8,10H2,(H,27,28,29)/t18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/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
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM371729
PNG
(4-(2-(2-fluoroethyl)-4-(trifluoromethyl)phenyl)-N-...)
Show SMILES FCCc1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F |r|
Show InChI InChI=1S/C22H19F4N3O3S/c23-8-5-14-11-15(22(24,25)26)1-3-17(14)18-7-10-32-20-12-16(2-4-19(18)20)33(30,31)29-21-6-9-27-13-28-21/h1-4,6,9,11-13,18H,5,7-8,10H2,(H,27,28,29)/t18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/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