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SMILES: Cc1ccc(cn1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1cccnn1)C(F)(F)F

InChI Key: InChIKey=NWFSPMULTCJVGD-OAQYLSRUSA-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 = 371779   
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))
BDBM371779
PNG
(4-(2-(6-methylpyridin-3-yl)-4-(trifluoromethyl)phe...)
Show SMILES Cc1ccc(cn1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1cccnn1)C(F)(F)F |r|
Show InChI InChI=1S/C26H21F3N4O3S/c1-16-4-5-17(15-30-16)23-13-18(26(27,28)29)6-8-20(23)21-10-12-36-24-14-19(7-9-22(21)24)37(34,35)33-25-3-2-11-31-32-25/h2-9,11,13-15,21H,10,12H2,1H3,(H,32,33)/t21-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 250n/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))
BDBM371779
PNG
(4-(2-(6-methylpyridin-3-yl)-4-(trifluoromethyl)phe...)
Show SMILES Cc1ccc(cn1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1cccnn1)C(F)(F)F |r|
Show InChI InChI=1S/C26H21F3N4O3S/c1-16-4-5-17(15-30-16)23-13-18(26(27,28)29)6-8-20(23)21-10-12-36-24-14-19(7-9-22(21)24)37(34,35)33-25-3-2-11-31-32-25/h2-9,11,13-15,21H,10,12H2,1H3,(H,32,33)/t21-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 8n/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