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BDBM71228 US9546164, 325::US9694002, 325

SMILES: C[C@H]1CC[C@H](CN1Cc1ccc(F)cc1Cl)Oc1cc(F)c(cc1C1CC1)C(=O)NS(=O)(=O)N1CCC1

InChI Key: InChIKey=KRXDZKXQDVLVEO-OXJNMPFZSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 71228   
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))
BDBM71228
PNG
(US9546164, 325 | US9694002, 325)
Show SMILES C[C@H]1CC[C@H](CN1Cc1ccc(F)cc1Cl)Oc1cc(F)c(cc1C1CC1)C(=O)NS(=O)(=O)N1CCC1
Show InChI InChI=1S/C26H30ClF2N3O4S/c1-16-3-8-20(15-31(16)14-18-6-7-19(28)11-23(18)27)36-25-13-24(29)22(12-21(25)17-4-5-17)26(33)30-37(34,35)32-9-2-10-32/h6-7,11-13,16-17,20H,2-5,8-10,14-15H2,1H3,(H,30,33)/t16-,20+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.40n/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))
BDBM71228
PNG
(US9546164, 325 | US9694002, 325)
Show SMILES C[C@H]1CC[C@H](CN1Cc1ccc(F)cc1Cl)Oc1cc(F)c(cc1C1CC1)C(=O)NS(=O)(=O)N1CCC1
Show InChI InChI=1S/C26H30ClF2N3O4S/c1-16-3-8-20(15-31(16)14-18-6-7-19(28)11-23(18)27)36-25-13-24(29)22(12-21(25)17-4-5-17)26(33)30-37(34,35)32-9-2-10-32/h6-7,11-13,16-17,20H,2-5,8-10,14-15H2,1H3,(H,30,33)/t16-,20+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.40n/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