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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium Channel Complex' and Ligand = 'BDBM70876'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium Channel Complex


(Homo sapiens (Human))
BDBM70876
PNG
(US9546164, 50 | US9694002, 50 | US9694002, 51)
Show SMILES C[C@H](N1CCC[C@H](C1)Oc1cc(F)c(cc1C1CC1)C(=O)NS(C)(=O)=O)c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1/C24H27Cl2FN2O4S/c1-14(16-8-17(25)10-18(26)9-16)29-7-3-4-19(13-29)33-23-12-22(27)21(11-20(23)15-5-6-15)24(30)28-34(2,31)32/h8-12,14-15,19H,3-7,13H2,1-2H3,(H,28,30)/t14-,19+/s2
PDB

UniProtKB/SwissProt

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GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.90n/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
Sodium Channel Complex


(Homo sapiens (Human))
BDBM70876
PNG
(US9546164, 50 | US9694002, 50 | US9694002, 51)
Show SMILES C[C@H](N1CCC[C@H](C1)Oc1cc(F)c(cc1C1CC1)C(=O)NS(C)(=O)=O)c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1/C24H27Cl2FN2O4S/c1-14(16-8-17(25)10-18(26)9-16)29-7-3-4-19(13-29)33-23-12-22(27)21(11-20(23)15-5-6-15)24(30)28-34(2,31)32/h8-12,14-15,19H,3-7,13H2,1-2H3,(H,28,30)/t14-,19+/s2
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.10n/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