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BDBM71055 US9546164, 202::US9694002, 202

SMILES: COC[C@@](C)(N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1

InChI Key: InChIKey=QQRDUMOOLIZBOV-HHHXNRCGSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 71055   
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))
BDBM71055
PNG
(US9546164, 202 | US9694002, 202)
Show SMILES COC[C@@](C)(N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C27H33Cl2FN2O5S/c1-27(16-36-2,19-10-20(28)12-21(29)11-19)32-8-6-17(7-9-32)15-37-25-14-24(30)23(13-22(25)18-4-5-18)26(33)31-38(3,34)35/h10-14,17-18H,4-9,15-16H2,1-3H3,(H,31,33)/t27-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
US Patent
n/an/a 1.60n/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
More data for this
Ligand-Target Pair
Sodium Channel Complex


(Homo sapiens (Human))
BDBM71055
PNG
(US9546164, 202 | US9694002, 202)
Show SMILES COC[C@@](C)(N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C27H33Cl2FN2O5S/c1-27(16-36-2,19-10-20(28)12-21(29)11-19)32-8-6-17(7-9-32)15-37-25-14-24(30)23(13-22(25)18-4-5-18)26(33)31-38(3,34)35/h10-14,17-18H,4-9,15-16H2,1-3H3,(H,31,33)/t27-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.60n/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