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SMILES: CC(N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CC1)c1cc(Cl)cc(Cl)c1

InChI Key: InChIKey=PRCIGHMFXRYAIG-UHFFFAOYSA-N

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 70940   
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))
BDBM70940
PNG
(US9546164, 102 | US9694002, 102)
Show SMILES CC(N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CC1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C27H31Cl2FN2O4S/c1-16(19-10-20(28)12-21(29)11-19)32-8-6-17(7-9-32)15-36-26-14-25(30)24(13-23(26)18-2-3-18)27(33)31-37(34,35)22-4-5-22/h10-14,16-18,22H,2-9,15H2,1H3,(H,31,33)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.54n/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)


BindingDB Entry DOI: 10.7270/Q2JD4ZS4
More data for this
Ligand-Target Pair
Sodium channel protein type 1/10/11/2/3/4/5/8/9 subunit alpha


(Homo sapiens (Human))
BDBM70940
PNG
(US9546164, 102 | US9694002, 102)
Show SMILES CC(N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CC1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C27H31Cl2FN2O4S/c1-16(19-10-20(28)12-21(29)11-19)32-8-6-17(7-9-32)15-36-26-14-25(30)24(13-23(26)18-2-3-18)27(33)31-37(34,35)22-4-5-22/h10-14,16-18,22H,2-9,15H2,1H3,(H,31,33)
PDB

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 2.5n/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