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BDBM145412 US8952169, 191

SMILES: Fc1cc(OCC2C3CC4CC(C3)CC2C4)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1

InChI Key: InChIKey=UNPJOXGIHJVJQC-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 145412   
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 9 subunit alpha


(Homo sapiens (Human))
BDBM145412
PNG
(US8952169, 191)
Show SMILES Fc1cc(OCC2C3CC4CC(C3)CC2C4)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1 |TLB:5:6:8:10.11.12,THB:13:14:8:10.11.12,13:11:8:14.15.6,6:14:10:8.7.12,6:7:10:14.13.15,(.14,4.04,;.14,2.5,;-1.2,1.73,;-1.2,.19,;-2.53,-.58,;-3.86,.19,;-5.2,-.58,;-6.52,.19,;-7.86,-.58,;-7.86,-2.12,;-8.69,-4.02,;-7.3,-3.37,;-7.28,-.97,;-6.09,-4.04,;-5.2,-2.12,;-6.52,-2.89,;.14,-.58,;1.47,.19,;1.47,1.73,;2.81,2.5,;2.81,4.04,;4.14,1.73,;5.47,2.5,;4.7,3.84,;6.24,3.84,;6.81,1.73,;7.2,.25,;8.69,.64,;8.29,2.13,;.14,-2.12,;-.63,-3.45,;.91,-3.45,)|
Show InChI InChI=1S/C24H31FN2O4S/c25-22-12-23(31-13-21-17-7-14-6-15(9-17)10-18(21)8-14)19(16-2-3-16)11-20(22)24(28)26-32(29,30)27-4-1-5-27/h11-12,14-18,21H,1-10,13H2,(H,26,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/a7.425



Xenon Pharmaceuticals Inc.; Genentech, Inc.

US Patent


Assay Description
Radioligand Binding Studies: Saturation experiments. A representative compound of formula (I) was tritiated. Three tritiums were incorporated in plac...


US Patent US8952169 (2015)


BindingDB Entry DOI: 10.7270/Q2M04445
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145412
PNG
(US8952169, 191)
Show SMILES Fc1cc(OCC2C3CC4CC(C3)CC2C4)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1 |TLB:5:6:8:10.11.12,THB:13:14:8:10.11.12,13:11:8:14.15.6,6:14:10:8.7.12,6:7:10:14.13.15,(.14,4.04,;.14,2.5,;-1.2,1.73,;-1.2,.19,;-2.53,-.58,;-3.86,.19,;-5.2,-.58,;-6.52,.19,;-7.86,-.58,;-7.86,-2.12,;-8.69,-4.02,;-7.3,-3.37,;-7.28,-.97,;-6.09,-4.04,;-5.2,-2.12,;-6.52,-2.89,;.14,-.58,;1.47,.19,;1.47,1.73,;2.81,2.5,;2.81,4.04,;4.14,1.73,;5.47,2.5,;4.7,3.84,;6.24,3.84,;6.81,1.73,;7.2,.25,;8.69,.64,;8.29,2.13,;.14,-2.12,;-.63,-3.45,;.91,-3.45,)|
Show InChI InChI=1S/C24H31FN2O4S/c25-22-12-23(31-13-21-17-7-14-6-15(9-17)10-18(21)8-14)19(16-2-3-16)11-20(22)24(28)26-32(29,30)27-4-1-5-27/h11-12,14-18,21H,1-10,13H2,(H,26,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 9n/an/an/an/an/a37



Xenon Pharmaceuticals Inc.; Genentech, Inc.

US Patent


Assay Description
Patch voltage clamp electrophysiology allows for the direct measurement and quantification of block of voltage-gated sodium channels (NaV's), and all...


US Patent US8952169 (2015)


BindingDB Entry DOI: 10.7270/Q2M04445
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM145412
PNG
(US8952169, 191)
Show SMILES Fc1cc(OCC2C3CC4CC(C3)CC2C4)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1 |TLB:5:6:8:10.11.12,THB:13:14:8:10.11.12,13:11:8:14.15.6,6:14:10:8.7.12,6:7:10:14.13.15,(.14,4.04,;.14,2.5,;-1.2,1.73,;-1.2,.19,;-2.53,-.58,;-3.86,.19,;-5.2,-.58,;-6.52,.19,;-7.86,-.58,;-7.86,-2.12,;-8.69,-4.02,;-7.3,-3.37,;-7.28,-.97,;-6.09,-4.04,;-5.2,-2.12,;-6.52,-2.89,;.14,-.58,;1.47,.19,;1.47,1.73,;2.81,2.5,;2.81,4.04,;4.14,1.73,;5.47,2.5,;4.7,3.84,;6.24,3.84,;6.81,1.73,;7.2,.25,;8.69,.64,;8.29,2.13,;.14,-2.12,;-.63,-3.45,;.91,-3.45,)|
Show InChI InChI=1S/C24H31FN2O4S/c25-22-12-23(31-13-21-17-7-14-6-15(9-17)10-18(21)8-14)19(16-2-3-16)11-20(22)24(28)26-32(29,30)27-4-1-5-27/h11-12,14-18,21H,1-10,13H2,(H,26,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 130n/an/an/an/an/a37



Xenon Pharmaceuticals Inc.; Genentech, Inc.

US Patent


Assay Description
Patch voltage clamp electrophysiology allows for the direct measurement and quantification of block of voltage-gated sodium channels (NaV's), and all...


US Patent US8952169 (2015)


BindingDB Entry DOI: 10.7270/Q2M04445
More data for this
Ligand-Target Pair