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BDBM71061 US9546164, 206::US9694002, 206

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

InChI Key: InChIKey=CZPZFJNHIHVBHS-SANMLTNESA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 71061   
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))
BDBM71061
PNG
(US9546164, 206 | US9694002, 206)
Show SMILES COC(C)(C)[C@@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C28H35Cl2FN2O5S/c1-28(2,37-3)26(19-11-20(29)13-21(30)12-19)33-9-7-17(8-10-33)16-38-25-15-24(31)23(14-22(25)18-5-6-18)27(34)32-39(4,35)36/h11-15,17-18,26H,5-10,16H2,1-4H3,(H,32,34)/t26-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.80n/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 Complex


(Homo sapiens (Human))
BDBM71061
PNG
(US9546164, 206 | US9694002, 206)
Show SMILES COC(C)(C)[C@@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C28H35Cl2FN2O5S/c1-28(2,37-3)26(19-11-20(29)13-21(30)12-19)33-9-7-17(8-10-33)16-38-25-15-24(31)23(14-22(25)18-5-6-18)27(34)32-39(4,35)36/h11-15,17-18,26H,5-10,16H2,1-4H3,(H,32,34)/t26-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.80n/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