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2 similar compounds to monomer 71546

Compile data set for download or QSAR
Wt: 590.0
BDBM71547

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 71547   
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))
BDBM71547
PNG
(US9546164, 557 | US9694002, 557)
Show SMILES CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CCN(CC1)c1cc(c(Cl)cn1)C(F)(F)F
Show InChI InChI=1S/C26H28ClF4N3O4S/c1-25(6-8-34(9-7-25)23-11-19(26(29,30)31)20(27)13-32-23)14-38-22-12-21(28)18(10-17(22)15-2-3-15)24(35)33-39(36,37)16-4-5-16/h10-13,15-16H,2-9,14H2,1H3,(H,33,35)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
US Patent
n/an/a 2.70n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Radioligand Binding Studies: Saturation experiments. A representative compound of formula (I) having a methyl group was tritiated. Three tritiums wer...


US Patent US9546164 (2017)


Article DOI: 10.1016/j.bmcl.2005.05.131
BindingDB Entry DOI: 10.7270/Q2JD4ZS4
More data for this
Ligand-Target Pair
Sodium Channel Complex


(Homo sapiens (Human))
BDBM71547
PNG
(US9546164, 557 | US9694002, 557)
Show SMILES CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CCN(CC1)c1cc(c(Cl)cn1)C(F)(F)F
Show InChI InChI=1S/C26H28ClF4N3O4S/c1-25(6-8-34(9-7-25)23-11-19(26(29,30)31)20(27)13-32-23)14-38-22-12-21(28)18(10-17(22)15-2-3-15)24(35)33-39(36,37)16-4-5-16/h10-13,15-16H,2-9,14H2,1H3,(H,33,35)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.70n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Binding of this radioligand was preformed in 5 mL borosilicate glass test tubes at room temperature. Binding was initiated by adding membranes to inc...


US Patent US9694002 (2017)


BindingDB Entry DOI: 10.7270/Q24B2ZFG
More data for this
Ligand-Target Pair