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Patent code US9493429

Compile Data Set for Download or QSAR
Found 9 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM253034
PNG
(US9493429, 5)
Show SMILES CS(=O)(=O)Nc1noc2cc(OCC34CC5CC(CC(C5)C3)C4)c(cc12)C1CC1
Show InChI InChI=1S/C22H28N2O4S/c1-29(25,26)24-21-18-7-17(16-2-3-16)19(8-20(18)28-23-21)27-12-22-9-13-4-14(10-22)6-15(5-13)11-22/h7-8,13-16H,2-6,9-12H2,1H3,(H,23,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.00E+3n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Sodium currents were measured using the patch clamp technique in the whole-cell configuration using either a PatchXpress automated voltage clamp or m...


Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM253036
PNG
(US9493429, 11)
Show SMILES COCCS(=O)(=O)Nc1noc2cc(COc3ccc(OCC(C)C)c(Cl)c3)c(Cl)cc12
Show InChI InChI=1S/C21H24Cl2N2O6S/c1-13(2)11-30-19-5-4-15(9-18(19)23)29-12-14-8-20-16(10-17(14)22)21(24-31-20)25-32(26,27)7-6-28-3/h4-5,8-10,13H,6-7,11-12H2,1-3H3,(H,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.00E+3n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Sodium currents were measured using the patch clamp technique in the whole-cell configuration using either a PatchXpress automated voltage clamp or m...


Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM253041
PNG
(US9493429, 38)
Show SMILES Clc1ccc(OCc2cc3onc(NS(=O)(=O)C4CC4)c3cc2Cl)cc1Cl
Show InChI InChI=1S/C17H13Cl3N2O4S/c18-13-4-1-10(6-15(13)20)25-8-9-5-16-12(7-14(9)19)17(21-26-16)22-27(23,24)11-2-3-11/h1,4-7,11H,2-3,8H2,(H,21,22)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.00E+3n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Sodium currents were measured using the patch clamp technique in the whole-cell configuration using either a PatchXpress automated voltage clamp or m...


Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM253033
PNG
(US9493429, 2)
Show SMILES CS(=O)(=O)Nc1noc2cc(COc3ccc(Cl)c(Cl)c3)c(Cl)cc12
Show InChI InChI=1S/C15H11Cl3N2O4S/c1-25(21,22)20-15-10-6-12(17)8(4-14(10)24-19-15)7-23-9-2-3-11(16)13(18)5-9/h2-6H,7H2,1H3,(H,19,20)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.60E+3n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Sodium currents were measured using the patch clamp technique in the whole-cell configuration using either a PatchXpress automated voltage clamp or m...


Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM253040
PNG
(US9493429, 33)
Show SMILES CC1(C)CCc2cc(OCc3cc4onc(NS(C)(=O)=O)c4cc3Cl)ccc2C1
Show InChI InChI=1S/C21H23ClN2O4S/c1-21(2)7-6-13-8-16(5-4-14(13)11-21)27-12-15-9-19-17(10-18(15)22)20(23-28-19)24-29(3,25)26/h4-5,8-10H,6-7,11-12H2,1-3H3,(H,23,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.00E+4n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Sodium currents were measured using the patch clamp technique in the whole-cell configuration using either a PatchXpress automated voltage clamp or m...


Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM253037
PNG
(US9493429, 16)
Show SMILES CC(C)Oc1ncc(OCc2cc3onc(NS(C)(=O)=O)c3cc2Cl)cc1Cl
Show InChI InChI=1S/C17H17Cl2N3O5S/c1-9(2)26-17-14(19)5-11(7-20-17)25-8-10-4-15-12(6-13(10)18)16(21-27-15)22-28(3,23)24/h4-7,9H,8H2,1-3H3,(H,21,22)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.30E+4n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Sodium currents were measured using the patch clamp technique in the whole-cell configuration using either a PatchXpress automated voltage clamp or m...


Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM253038
PNG
(US9493429, 25)
Show SMILES CC1(C)CCc2ccc(OCc3cc4onc(NS(C)(=O)=O)c4cc3Cl)cc2C1
Show InChI InChI=1S/C21H23ClN2O4S/c1-21(2)7-6-13-4-5-16(8-14(13)11-21)27-12-15-9-19-17(10-18(15)22)20(23-28-19)24-29(3,25)26/h4-5,8-10H,6-7,11-12H2,1-3H3,(H,23,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.40E+4n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Sodium currents were measured using the patch clamp technique in the whole-cell configuration using either a PatchXpress automated voltage clamp or m...


Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM253039
PNG
(US9493429, 26)
Show SMILES CS(=O)(=O)Nc1noc2cc(OCc3ccc(Cl)c(Cl)c3)c(Cl)cc12
Show InChI InChI=1S/C15H11Cl3N2O4S/c1-25(21,22)20-15-9-5-12(18)14(6-13(9)24-19-15)23-7-8-2-3-10(16)11(17)4-8/h2-6H,7H2,1H3,(H,19,20)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7.40E+4n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Sodium currents were measured using the patch clamp technique in the whole-cell configuration using either a PatchXpress automated voltage clamp or m...


Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM253035
PNG
(US9493429, 10)
Show SMILES CC(C)COc1ccc(OCc2cc3onc(NS(C)(=O)=O)c3cc2Cl)cc1Cl
Show InChI InChI=1S/C19H20Cl2N2O5S/c1-11(2)9-27-17-5-4-13(7-16(17)21)26-10-12-6-18-14(8-15(12)20)19(22-28-18)23-29(3,24)25/h4-8,11H,9-10H2,1-3H3,(H,22,23)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 8.60E+4n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Sodium currents were measured using the patch clamp technique in the whole-cell configuration using either a PatchXpress automated voltage clamp or m...


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%