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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 371736   
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))
BDBM371736
PNG
(4-(2-(3-fluoropropyl)-4-(trifluoromethyl)phenyl)-N...)
Show SMILES FCCCc1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1cccc(F)n1)C(F)(F)F |r|
Show InChI InChI=1S/C24H21F5N2O3S/c25-11-2-3-15-13-16(24(27,28)29)6-8-18(15)19-10-12-34-21-14-17(7-9-20(19)21)35(32,33)31-23-5-1-4-22(26)30-23/h1,4-9,13-14,19H,2-3,10-12H2,(H,30,31)/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
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM371736
PNG
(4-(2-(3-fluoropropyl)-4-(trifluoromethyl)phenyl)-N...)
Show SMILES FCCCc1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1cccc(F)n1)C(F)(F)F |r|
Show InChI InChI=1S/C24H21F5N2O3S/c25-11-2-3-15-13-16(24(27,28)29)6-8-18(15)19-10-12-34-21-14-17(7-9-20(19)21)35(32,33)31-23-5-1-4-22(26)30-23/h1,4-9,13-14,19H,2-3,10-12H2,(H,30,31)/t19-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.64E+3n/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