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SMILES: CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@H]2C3CC4CC2C[C@@](Cl)(C4)C3)cc1F

InChI Key: InChIKey=IVGOGVKIRUVHNB-ZQPHQBMLSA-N

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 = 145578   
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))
BDBM145578
PNG
(US8952169, 375)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@H]2C3CC4CC2C[C@@](Cl)(C4)C3)cc1F |r,wU:15.15,22.24,TLB:14:15:19:24.22.21,15:16:24:19.20.21,25:22:19:16.15.17,23:22:19:16.15.17,THB:15:20:24:16.25.17,25:16:19:24.22.21,(7.16,-1.67,;5.83,-.9,;5.06,-2.23,;6.6,.44,;4.49,-.13,;3.16,-.9,;3.16,-2.44,;1.82,-.13,;.49,-.9,;-.84,-.13,;-2.18,-.9,;-3.72,-.9,;-2.95,-2.23,;-.84,1.41,;-2.18,2.18,;-3.66,1.78,;-3.66,.24,;-4.99,-.53,;-6.33,.24,;-6.33,1.78,;-4.99,2.55,;-5.75,1.39,;-5.76,-1.01,;-5.76,-2.55,;-7.16,-1.66,;-4.56,-1.68,;.49,2.18,;1.82,1.41,;3.16,2.18,)|
Show InChI InChI=1S/C21H25ClFNO4S/c1-29(26,27)24-20(25)16-6-15(12-2-3-12)18(7-17(16)23)28-19-13-4-11-5-14(19)10-21(22,8-11)9-13/h6-7,11-14,19H,2-5,8-10H2,1H3,(H,24,25)/t11?,13?,14?,19-,21+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 7n/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 9 subunit alpha


(Homo sapiens (Human))
BDBM145578
PNG
(US8952169, 375)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@H]2C3CC4CC2C[C@@](Cl)(C4)C3)cc1F |r,wU:15.15,22.24,TLB:14:15:19:24.22.21,15:16:24:19.20.21,25:22:19:16.15.17,23:22:19:16.15.17,THB:15:20:24:16.25.17,25:16:19:24.22.21,(7.16,-1.67,;5.83,-.9,;5.06,-2.23,;6.6,.44,;4.49,-.13,;3.16,-.9,;3.16,-2.44,;1.82,-.13,;.49,-.9,;-.84,-.13,;-2.18,-.9,;-3.72,-.9,;-2.95,-2.23,;-.84,1.41,;-2.18,2.18,;-3.66,1.78,;-3.66,.24,;-4.99,-.53,;-6.33,.24,;-6.33,1.78,;-4.99,2.55,;-5.75,1.39,;-5.76,-1.01,;-5.76,-2.55,;-7.16,-1.66,;-4.56,-1.68,;.49,2.18,;1.82,1.41,;3.16,2.18,)|
Show InChI InChI=1S/C21H25ClFNO4S/c1-29(26,27)24-20(25)16-6-15(12-2-3-12)18(7-17(16)23)28-19-13-4-11-5-14(19)10-21(22,8-11)9-13/h6-7,11-14,19H,2-5,8-10H2,1H3,(H,24,25)/t11?,13?,14?,19-,21+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 9n/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