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Patent code US9359330

Compile Data Set for Download or QSAR
Found 25 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))
BDBM234214
PNG
(US9359330, 6)
Show SMILES COc1ncc(cn1)-c1ccccc1C1CCCN(C1)C(=O)c1ccc(OCC(F)(F)F)cc1
Show InChI InChI=1S/C25H24F3N3O3/c1-33-24-29-13-19(14-30-24)22-7-3-2-6-21(22)18-5-4-12-31(15-18)23(32)17-8-10-20(11-9-17)34-16-25(26,27)28/h2-3,6-11,13-14,18H,4-5,12,15-16H2,1H3
PDB

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US Patent
511n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
For electrophysiological recordings the external solution was either standard, DMEM supplemented with 10 mM HEPES (pH adjusted to 7.34 with NaOH and ...


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


(Homo sapiens (Human))
BDBM234217
PNG
(US9359330, 13)
Show SMILES COc1ncc(cn1)-c1ccccc1C1CCCN(C1)C(=O)c1ccc(OCC(F)(F)F)nc1
Show InChI InChI=1S/C24H23F3N4O3/c1-33-23-29-12-18(13-30-23)20-7-3-2-6-19(20)17-5-4-10-31(14-17)22(32)16-8-9-21(28-11-16)34-15-24(25,26)27/h2-3,6-9,11-13,17H,4-5,10,14-15H2,1H3
PDB

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US Patent
2.10E+3n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
For electrophysiological recordings the external solution was either standard, DMEM supplemented with 10 mM HEPES (pH adjusted to 7.34 with NaOH and ...


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


(Homo sapiens (Human))
BDBM234235
PNG
(US9359330, 40)
Show SMILES CN(C)c1ncc(cn1)-c1ccccc1C1CCCN(C1)C(=O)c1ccc(OCC(F)(F)F)cc1
Show InChI InChI=1S/C26H27F3N4O2/c1-32(2)25-30-14-20(15-31-25)23-8-4-3-7-22(23)19-6-5-13-33(16-19)24(34)18-9-11-21(12-10-18)35-17-26(27,28)29/h3-4,7-12,14-15,19H,5-6,13,16-17H2,1-2H3
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n/an/a 96n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL of 10×HBSS th...


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


(Homo sapiens (Human))
BDBM234214
PNG
(US9359330, 6)
Show SMILES COc1ncc(cn1)-c1ccccc1C1CCCN(C1)C(=O)c1ccc(OCC(F)(F)F)cc1
Show InChI InChI=1S/C25H24F3N3O3/c1-33-24-29-13-19(14-30-24)22-7-3-2-6-21(22)18-5-4-12-31(15-18)23(32)17-8-10-20(11-9-17)34-16-25(26,27)28/h2-3,6-11,13-14,18H,4-5,12,15-16H2,1H3
PDB

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n/an/a 209n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL of 10×HBSS th...


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


(Homo sapiens (Human))
BDBM234228
PNG
(US9359330, 33)
Show SMILES CN(C)c1ncc(cn1)-c1ccccc1C1CCCN(C1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C24H25F3N4O3S/c1-30(2)23-28-14-18(15-29-23)22-8-4-3-7-21(22)17-6-5-13-31(16-17)35(32,33)20-11-9-19(10-12-20)34-24(25,26)27/h3-4,7-12,14-15,17H,5-6,13,16H2,1-2H3
PDB

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n/an/a 376n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL of 10×HBSS th...


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


(Homo sapiens (Human))
BDBM234231
PNG
(US9359330, 36)
Show SMILES COc1ccc(cc1)C(=O)N1CCCC(C1)c1ccccc1-c1cnc(nc1)N(C)C
Show InChI InChI=1S/C25H28N4O2/c1-28(2)25-26-15-20(16-27-25)23-9-5-4-8-22(23)19-7-6-14-29(17-19)24(30)18-10-12-21(31-3)13-11-18/h4-5,8-13,15-16,19H,6-7,14,17H2,1-3H3
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n/an/a 384n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL of 10×HBSS th...


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


(Homo sapiens (Human))
BDBM234221
PNG
(US9359330, 18)
Show SMILES CN(C)c1ncc(cn1)-c1ccccc1C1CCCN(C1)C(=O)c1ccc(OCC(F)(F)F)nc1
Show InChI InChI=1S/C25H26F3N5O2/c1-32(2)24-30-13-19(14-31-24)21-8-4-3-7-20(21)18-6-5-11-33(15-18)23(34)17-9-10-22(29-12-17)35-16-25(26,27)28/h3-4,7-10,12-14,18H,5-6,11,15-16H2,1-2H3
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n/an/a 558n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL of 10×HBSS th...


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


(Homo sapiens (Human))
BDBM234227
PNG
(US9359330, 32)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCCC(C1)c1ccccc1-c1cnc(nc1)N(C)C
Show InChI InChI=1S/C24H28N4O3S/c1-27(2)24-25-15-19(16-26-24)23-9-5-4-8-22(23)18-7-6-14-28(17-18)32(29,30)21-12-10-20(31-3)11-13-21/h4-5,8-13,15-16,18H,6-7,14,17H2,1-3H3
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n/an/a 672n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL of 10×HBSS th...


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


(Homo sapiens (Human))
BDBM234219
PNG
(US9359330, 16)
Show SMILES CSc1ncc(cn1)-c1ccccc1C1CCCN(C1)C(=O)c1ccc(OCC(F)(F)F)nc1
Show InChI InChI=1S/C24H23F3N4O2S/c1-34-23-29-12-18(13-30-23)20-7-3-2-6-19(20)17-5-4-10-31(14-17)22(32)16-8-9-21(28-11-16)33-15-24(25,26)27/h2-3,6-9,11-13,17H,4-5,10,14-15H2,1H3
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n/an/a 676n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL of 10×HBSS th...


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


(Homo sapiens (Human))
BDBM234234
PNG
(US9359330, 39)
Show SMILES CN(C)c1ncc(cn1)-c1ccccc1C1CCCN(C1)C(=O)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C25H25F3N4O2/c1-31(2)24-29-14-19(15-30-24)22-8-4-3-7-21(22)18-6-5-13-32(16-18)23(33)17-9-11-20(12-10-17)34-25(26,27)28/h3-4,7-12,14-15,18H,5-6,13,16H2,1-2H3
PDB

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n/an/a 689n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL of 10×HBSS th...


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


(Homo sapiens (Human))
BDBM234220
PNG
(US9359330, 17)
Show SMILES COc1ncccc1-c1ccccc1C1CCCN(C1)C(=O)c1ccc(OCC(F)(F)F)nc1
Show InChI InChI=1S/C25H24F3N3O3/c1-33-23-21(9-4-12-29-23)20-8-3-2-7-19(20)18-6-5-13-31(15-18)24(32)17-10-11-22(30-14-17)34-16-25(26,27)28/h2-4,7-12,14,18H,5-6,13,15-16H2,1H3
PDB

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n/an/a 691n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL of 10×HBSS th...


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


(Homo sapiens (Human))
BDBM234217
PNG
(US9359330, 13)
Show SMILES COc1ncc(cn1)-c1ccccc1C1CCCN(C1)C(=O)c1ccc(OCC(F)(F)F)nc1
Show InChI InChI=1S/C24H23F3N4O3/c1-33-23-29-12-18(13-30-23)20-7-3-2-6-19(20)17-5-4-10-31(14-17)22(32)16-8-9-21(28-11-16)34-15-24(25,26)27/h2-3,6-9,11-13,17H,4-5,10,14-15H2,1H3
PDB

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n/an/a 873n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL of 10×HBSS th...


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


(Homo sapiens (Human))
BDBM234226
PNG
(US9359330, 31)
Show SMILES CN(C)c1ncc(cn1)-c1ccccc1C1CCCN(C1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C25H26F3N5O2/c1-32(2)23-29-14-18(15-30-23)22-8-4-3-7-21(22)17-6-5-13-33(16-17)24(34)31-19-9-11-20(12-10-19)35-25(26,27)28/h3-4,7-12,14-15,17H,5-6,13,16H2,1-2H3,(H,31,34)
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n/an/a 941n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL of 10×HBSS th...


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


(Homo sapiens (Human))
BDBM234218
PNG
(US9359330, 15)
Show SMILES Fc1ccc(cn1)-c1ccccc1C1CCCN(C1)C(=O)c1ccc(OCC(F)(F)F)nc1
Show InChI InChI=1S/C24H21F4N3O2/c25-21-9-7-16(12-29-21)19-5-1-2-6-20(19)18-4-3-11-31(14-18)23(32)17-8-10-22(30-13-17)33-15-24(26,27)28/h1-2,5-10,12-13,18H,3-4,11,14-15H2
PDB

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n/an/a 954n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL of 10×HBSS th...


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


(Homo sapiens (Human))
BDBM234216
PNG
(US9359330, 10)
Show SMILES FC(F)(F)COc1ccc(cn1)C(=O)N1CCCC(C1)c1ccccc1
Show InChI InChI=1S/C19H19F3N2O2/c20-19(21,22)13-26-17-9-8-15(11-23-17)18(25)24-10-4-7-16(12-24)14-5-2-1-3-6-14/h1-3,5-6,8-9,11,16H,4,7,10,12-13H2
PDB

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n/an/a 1.60E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL of 10×HBSS th...


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


(Homo sapiens (Human))
BDBM234225
PNG
(US9359330, 30)
Show SMILES COc1ccc(NC(=S)N2CCCC(C2)c2ccccc2-c2cnc(nc2)N(C)C)cc1
Show InChI InChI=1S/C25H29N5OS/c1-29(2)24-26-15-19(16-27-24)23-9-5-4-8-22(23)18-7-6-14-30(17-18)25(32)28-20-10-12-21(31-3)13-11-20/h4-5,8-13,15-16,18H,6-7,14,17H2,1-3H3,(H,28,32)
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n/an/a 2.52E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL of 10×HBSS th...


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


(Homo sapiens (Human))
BDBM234215
PNG
(US9359330, 7)
Show SMILES Oc1ccccc1C1CCCN(C1)C(=O)c1ccc(OCC(F)(F)F)nc1
Show InChI InChI=1S/C19H19F3N2O3/c20-19(21,22)12-27-17-8-7-13(10-23-17)18(26)24-9-3-4-14(11-24)15-5-1-2-6-16(15)25/h1-2,5-8,10,14,25H,3-4,9,11-12H2
PDB

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n/an/a 2.57E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL of 10×HBSS th...


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


(Homo sapiens (Human))
BDBM234223
PNG
(US9359330, 28)
Show SMILES COc1ncc(cn1)-c1ccccc1C1CCCN(C1)C(=O)c1cccnc1N
Show InChI InChI=1S/C22H23N5O2/c1-29-22-25-12-16(13-26-22)18-8-3-2-7-17(18)15-6-5-11-27(14-15)21(28)19-9-4-10-24-20(19)23/h2-4,7-10,12-13,15H,5-6,11,14H2,1H3,(H2,23,24)
PDB

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n/an/a 2.57E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL of 10×HBSS th...


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


(Homo sapiens (Human))
BDBM234222
PNG
(US9359330, 19)
Show SMILES Oc1ccc(cn1)-c1ccccc1C1CCCN(C1)C(=O)c1ccc(OCC(F)(F)F)nc1
Show InChI InChI=1S/C24H22F3N3O3/c25-24(26,27)15-33-22-10-8-17(13-29-22)23(32)30-11-3-4-18(14-30)20-6-2-1-5-19(20)16-7-9-21(31)28-12-16/h1-2,5-10,12-13,18H,3-4,11,14-15H2,(H,28,31)
PDB

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n/an/a 5.47E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL of 10×HBSS th...


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


(Homo sapiens (Human))
BDBM234230
PNG
(US9359330, 35)
Show SMILES COc1ccc(cc1[C@H](O)CO)C(=O)N1CCCC(C1)c1ccccc1-c1cnc(nc1)N(C)C
Show InChI InChI=1S/C27H32N4O4/c1-30(2)27-28-14-20(15-29-27)22-9-5-4-8-21(22)19-7-6-12-31(16-19)26(34)18-10-11-25(35-3)23(13-18)24(33)17-32/h4-5,8-11,13-15,19,24,32-33H,6-7,12,16-17H2,1-3H3/t19?,24-/m1/s1
PDB

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n/an/a 1.50E+4n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL of 10×HBSS th...


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


(Homo sapiens (Human))
BDBM234229
PNG
(US9359330, 34)
Show SMILES COc1ccc(cc1[C@@H](O)CO)C(=O)N1CCCC(C1)c1ccccc1-c1cnc(nc1)N(C)C
Show InChI InChI=1S/C27H32N4O4/c1-30(2)27-28-14-20(15-29-27)22-9-5-4-8-21(22)19-7-6-12-31(16-19)26(34)18-10-11-25(35-3)23(13-18)24(33)17-32/h4-5,8-11,13-15,19,24,32-33H,6-7,12,16-17H2,1-3H3/t19?,24-/m0/s1
PDB

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US Patent
n/an/a>2.00E+4n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL of 10×HBSS th...


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


(Homo sapiens (Human))
BDBM234224
PNG
(US9359330, 29)
Show SMILES CN(C)c1ncc(cn1)-c1ccccc1C1CCCN(C1)C(=S)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H26F3N5S/c1-32(2)23-29-14-18(15-30-23)22-8-4-3-7-21(22)17-6-5-13-33(16-17)24(34)31-20-11-9-19(10-12-20)25(26,27)28/h3-4,7-12,14-15,17H,5-6,13,16H2,1-2H3,(H,31,34)
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UniChem
US Patent
n/an/a>2.00E+4n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL of 10×HBSS th...


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


(Homo sapiens (Human))
BDBM234233
PNG
(US9359330, 38)
Show SMILES CN(C)c1ncc(cn1)-c1ccccc1C1CCCN(C1)C(=O)c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C25H27N5O2/c1-29(2)25-27-14-20(15-28-25)22-8-4-3-7-21(22)19-6-5-13-30(16-19)24(32)18-11-9-17(10-12-18)23(26)31/h3-4,7-12,14-15,19H,5-6,13,16H2,1-2H3,(H2,26,31)
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UniChem
US Patent
n/an/a>2.00E+4n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL of 10×HBSS th...


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


(Homo sapiens (Human))
BDBM234232
PNG
(US9359330, 37)
Show SMILES CN(C)c1ncc(cn1)-c1ccccc1C1CCCN(C1)C(=O)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C25H27N5O2/c1-29(2)25-27-14-20(15-28-25)22-11-4-3-10-21(22)19-9-6-12-30(16-19)24(32)18-8-5-7-17(13-18)23(26)31/h3-5,7-8,10-11,13-15,19H,6,9,12,16H2,1-2H3,(H2,26,31)
PDB

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UniProtKB/SwissProt

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UniChem
US Patent
n/an/a>2.00E+4n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL of 10×HBSS th...


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


(Homo sapiens (Human))
BDBM234236
PNG
(US9359330, 43)
Show SMILES CN(C)c1ncc(cn1)-c1ccccc1C1CCCN(C1)S(=O)(=O)Nc1ncns1
Show InChI InChI=1S/C19H23N7O2S2/c1-25(2)18-20-10-15(11-21-18)17-8-4-3-7-16(17)14-6-5-9-26(12-14)30(27,28)24-19-22-13-23-29-19/h3-4,7-8,10-11,13-14H,5-6,9,12H2,1-2H3,(H,22,23,24)
PDB

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UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem
US Patent
n/an/a>2.00E+4n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL of 10×HBSS th...


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