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BDBM71457 US9546164, 488::US9694002, 488

SMILES: CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CN(C1)c1ccc(cn1)C(F)(F)F

InChI Key: InChIKey=ZXDFQZPUFRGUHP-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 71457   
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))
BDBM71457
PNG
(US9546164, 488 | US9694002, 488)
Show SMILES CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CN(C1)c1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C24H25F4N3O4S/c1-23(11-31(12-23)21-7-4-15(10-29-21)24(26,27)28)13-35-20-9-19(25)18(8-17(20)14-2-3-14)22(32)30-36(33,34)16-5-6-16/h4,7-10,14,16H,2-3,5-6,11-13H2,1H3,(H,30,32)
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PC cid
PC sid
UniChem
US Patent
n/an/a 9.20n/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))
BDBM71457
PNG
(US9546164, 488 | US9694002, 488)
Show SMILES CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CN(C1)c1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C24H25F4N3O4S/c1-23(11-31(12-23)21-7-4-15(10-29-21)24(26,27)28)13-35-20-9-19(25)18(8-17(20)14-2-3-14)22(32)30-36(33,34)16-5-6-16/h4,7-10,14,16H,2-3,5-6,11-13H2,1H3,(H,30,32)
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 9.20n/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