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BDBM145318 US8952169, 97::US9771376, Example 97

SMILES: CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(OCC2C3CC4CC(C3)CC2C4)cc1F

InChI Key: InChIKey=YBKLIHPBBHWBDZ-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 = 145318   
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))
BDBM145318
PNG
(US8952169, 97 | US9771376, Example 97)
Show SMILES CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(OCC2C3CC4CC(C3)CC2C4)cc1F |TLB:15:16:18:20.21.22,THB:16:24:20:18.17.22,16:17:20:24.23.25,23:24:18:20.21.22,23:21:18:24.16.25,(8.42,2.5,;7.08,1.73,;7.08,.19,;5.75,2.5,;4.98,3.84,;6.52,3.84,;4.42,1.73,;3.08,2.5,;3.08,4.04,;1.75,1.73,;1.75,.19,;.41,-.58,;.41,-2.12,;-.92,.19,;-2.25,-.58,;-3.59,.19,;-4.92,-.58,;-6.25,.19,;-7.58,-.58,;-7.58,-2.12,;-8.42,-4.02,;-7.02,-3.37,;-7,-.97,;-5.82,-4.04,;-4.92,-2.12,;-6.25,-2.89,;-.92,1.73,;.41,2.5,;.41,4.04,)|
Show InChI InChI=1S/C20H26ClFN2O4S/c1-24(2)29(26,27)23-20(25)15-8-17(21)19(9-18(15)22)28-10-16-13-4-11-3-12(6-13)7-14(16)5-11/h8-9,11-14,16H,3-7,10H2,1-2H3,(H,23,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 51n/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))
BDBM145318
PNG
(US8952169, 97 | US9771376, Example 97)
Show SMILES CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(OCC2C3CC4CC(C3)CC2C4)cc1F |TLB:15:16:18:20.21.22,THB:16:24:20:18.17.22,16:17:20:24.23.25,23:24:18:20.21.22,23:21:18:24.16.25,(8.42,2.5,;7.08,1.73,;7.08,.19,;5.75,2.5,;4.98,3.84,;6.52,3.84,;4.42,1.73,;3.08,2.5,;3.08,4.04,;1.75,1.73,;1.75,.19,;.41,-.58,;.41,-2.12,;-.92,.19,;-2.25,-.58,;-3.59,.19,;-4.92,-.58,;-6.25,.19,;-7.58,-.58,;-7.58,-2.12,;-8.42,-4.02,;-7.02,-3.37,;-7,-.97,;-5.82,-4.04,;-4.92,-2.12,;-6.25,-2.89,;-.92,1.73,;.41,2.5,;.41,4.04,)|
Show InChI InChI=1S/C20H26ClFN2O4S/c1-24(2)29(26,27)23-20(25)15-8-17(21)19(9-18(15)22)28-10-16-13-4-11-3-12(6-13)7-14(16)5-11/h8-9,11-14,16H,3-7,10H2,1-2H3,(H,23,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7.30n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9771376 (2017)


BindingDB Entry DOI: 10.7270/Q2W0983R
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145318
PNG
(US8952169, 97 | US9771376, Example 97)
Show SMILES CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(OCC2C3CC4CC(C3)CC2C4)cc1F |TLB:15:16:18:20.21.22,THB:16:24:20:18.17.22,16:17:20:24.23.25,23:24:18:20.21.22,23:21:18:24.16.25,(8.42,2.5,;7.08,1.73,;7.08,.19,;5.75,2.5,;4.98,3.84,;6.52,3.84,;4.42,1.73,;3.08,2.5,;3.08,4.04,;1.75,1.73,;1.75,.19,;.41,-.58,;.41,-2.12,;-.92,.19,;-2.25,-.58,;-3.59,.19,;-4.92,-.58,;-6.25,.19,;-7.58,-.58,;-7.58,-2.12,;-8.42,-4.02,;-7.02,-3.37,;-7,-.97,;-5.82,-4.04,;-4.92,-2.12,;-6.25,-2.89,;-.92,1.73,;.41,2.5,;.41,4.04,)|
Show InChI InChI=1S/C20H26ClFN2O4S/c1-24(2)29(26,27)23-20(25)15-8-17(21)19(9-18(15)22)28-10-16-13-4-11-3-12(6-13)7-14(16)5-11/h8-9,11-14,16H,3-7,10H2,1-2H3,(H,23,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7.30n/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