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BDBM71458 US9546164, 489::US9694002, 489

SMILES: CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CN(C1)c1ccncc1C(F)(F)F

InChI Key: InChIKey=WDENVSHHVGKVLV-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 71458   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM71458
PNG
(US9546164, 489 | US9694002, 489)
Show SMILES CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CN(C1)c1ccncc1C(F)(F)F
Show InChI InChI=1S/C24H25F4N3O4S/c1-23(11-31(12-23)20-6-7-29-10-18(20)24(26,27)28)13-35-21-9-19(25)17(8-16(21)14-2-3-14)22(32)30-36(33,34)15-4-5-15/h6-10,14-15H,2-5,11-13H2,1H3,(H,30,32)
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PC sid
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Similars

US Patent
n/an/a 103n/an/an/an/a7.425



Genentech 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)


BindingDB Entry DOI: 10.7270/Q2JD4ZS4
More data for this
Ligand-Target Pair
Sodium Channel Complex


(Homo sapiens (Human))
BDBM71458
PNG
(US9546164, 489 | US9694002, 489)
Show SMILES CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CN(C1)c1ccncc1C(F)(F)F
Show InChI InChI=1S/C24H25F4N3O4S/c1-23(11-31(12-23)20-6-7-29-10-18(20)24(26,27)28)13-35-21-9-19(25)17(8-16(21)14-2-3-14)22(32)30-36(33,34)15-4-5-15/h6-10,14-15H,2-5,11-13H2,1H3,(H,30,32)
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 103n/an/an/an/a7.425



Genentech 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