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Patent code US9765029

Compile Data Set for Download or QSAR
Found 40 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))
BDBM176483
PNG
(US9120752, 24 | US9765029, 24)
Show SMILES Fc1ccc(Oc2ccc(cc2)-c2cccc(n2)C(=O)NCCNS(=O)(=O)c2cccc(c2)C#N)cc1
Show InChI InChI=1S/C27H21FN4O4S/c28-21-9-13-23(14-10-21)36-22-11-7-20(8-12-22)25-5-2-6-26(32-25)27(33)30-15-16-31-37(34,35)24-4-1-3-19(17-24)18-29/h1-14,17,31H,15-16H2,(H,30,33)
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n/an/a 30n/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...


US Patent US9765029 (2017)

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


(Homo sapiens (Human))
BDBM176469
PNG
(US9120752, 12 | US9765029, 12)
Show SMILES CC1(C)C2CCC1(CS(=O)(=O)N1CCN(CC1)C(=O)c1cccc(n1)-c1ccc(Oc3ccc(F)cc3)cc1)C(=O)C2
Show InChI InChI=1S/C32H34FN3O5S/c1-31(2)23-14-15-32(31,29(37)20-23)21-42(39,40)36-18-16-35(17-19-36)30(38)28-5-3-4-27(34-28)22-6-10-25(11-7-22)41-26-12-8-24(33)9-13-26/h3-13,23H,14-21H2,1-2H3
PDB

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n/an/a 140n/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...


US Patent US9765029 (2017)

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


(Homo sapiens (Human))
BDBM176464
PNG
(US9120752, 7 | US9765029, 7)
Show SMILES Fc1ccc(Oc2ccc(cc2)-c2cccc(n2)C(=O)N2CCN(CC2)S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C29H23F4N3O5S/c30-21-6-10-23(11-7-21)40-22-8-4-20(5-9-22)26-2-1-3-27(34-26)28(37)35-16-18-36(19-17-35)42(38,39)25-14-12-24(13-15-25)41-29(31,32)33/h1-15H,16-19H2
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n/an/a 190n/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...


US Patent US9765029 (2017)

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


(Homo sapiens (Human))
BDBM176505
PNG
(US9120752, 45 | US9765029, 45)
Show SMILES NC(=O)[C@H](Cc1cccnc1)NC(=O)c1cccc(n1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C26H21FN4O3/c27-19-8-12-21(13-9-19)34-20-10-6-18(7-11-20)22-4-1-5-23(30-22)26(33)31-24(25(28)32)15-17-3-2-14-29-16-17/h1-14,16,24H,15H2,(H2,28,32)(H,31,33)/t24-/m0/s1
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n/an/a 210n/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...


US Patent US9765029 (2017)

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


(Homo sapiens (Human))
BDBM176471
PNG
(US9120752, 14 | US9765029, 14)
Show SMILES Cc1noc(C)c1S(=O)(=O)N1CCN(CC1)C(=O)c1cccc(n1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C27H25FN4O5S/c1-18-26(19(2)37-30-18)38(34,35)32-16-14-31(15-17-32)27(33)25-5-3-4-24(29-25)20-6-10-22(11-7-20)36-23-12-8-21(28)9-13-23/h3-13H,14-17H2,1-2H3
PDB

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n/an/a 220n/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...


US Patent US9765029 (2017)

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


(Homo sapiens (Human))
BDBM340816
PNG
(6-(4-(4-fluorophenoxyl)phenyl)-N-(2-(pyridine-3-su...)
Show SMILES Fc1ccc(Oc2ccc(cc2)-c2ccc(cn2)S(=O)(=O)NCCNC(=O)c2ccccn2)cc1
Show InChI InChI=1S/C25H21FN4O4S/c26-19-6-10-21(11-7-19)34-20-8-4-18(5-9-20)23-13-12-22(17-29-23)35(32,33)30-16-15-28-25(31)24-3-1-2-14-27-24/h1-14,17,30H,15-16H2,(H,28,31)
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n/an/a 310n/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...


US Patent US9765029 (2017)

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


(Homo sapiens (Human))
BDBM176498
PNG
(US9120752, 38 | US9765029, 38)
Show SMILES C[C@H](NC(=O)c1cccc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)C(N)=O
Show InChI InChI=1S/C21H18FN3O3/c1-13(20(23)26)24-21(27)19-4-2-3-18(25-19)14-5-9-16(10-6-14)28-17-11-7-15(22)8-12-17/h2-13H,1H3,(H2,23,26)(H,24,27)/t13-/m0/s1
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n/an/a 310n/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...


US Patent US9765029 (2017)

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


(Homo sapiens (Human))
BDBM176473
PNG
(US9120752, 16 | US9765029, 16)
Show SMILES Fc1ccc(Oc2ccc(cc2)-c2cccc(n2)C(=O)N2CCN(CC2)S(=O)(=O)c2cccc(OC(F)(F)F)c2)cc1
Show InChI InChI=1S/C29H23F4N3O5S/c30-21-9-13-23(14-10-21)40-22-11-7-20(8-12-22)26-5-2-6-27(34-26)28(37)35-15-17-36(18-16-35)42(38,39)25-4-1-3-24(19-25)41-29(31,32)33/h1-14,19H,15-18H2
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n/an/a 320n/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...


US Patent US9765029 (2017)

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


(Homo sapiens (Human))
BDBM176509
PNG
(US9120752, 48 | US9765029, 51)
Show SMILES NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cccc(n1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C27H22FN3O4/c28-19-8-14-22(15-9-19)35-21-12-6-18(7-13-21)23-2-1-3-24(30-23)27(34)31-25(26(29)33)16-17-4-10-20(32)11-5-17/h1-15,25,32H,16H2,(H2,29,33)(H,31,34)/t25-/m0/s1
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n/an/a 330n/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...


US Patent US9765029 (2017)

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


(Homo sapiens (Human))
BDBM176477
PNG
(US9120752, 59 | US9765029, 59)
Show SMILES Fc1ccc(Oc2ccc(cc2)-c2cccc(n2)C(=O)N2CCN(CC2)S(=O)(=O)c2ccc(F)c(c2)C#N)cc1
Show InChI InChI=1S/C29H22F2N4O4S/c30-22-6-10-24(11-7-22)39-23-8-4-20(5-9-23)27-2-1-3-28(33-27)29(36)34-14-16-35(17-15-34)40(37,38)25-12-13-26(31)21(18-25)19-32/h1-13,18H,14-17H2
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n/an/a 340n/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...


US Patent US9765029 (2017)

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


(Homo sapiens (Human))
BDBM176504
PNG
(US9120752, 44 | US9765029, 44)
Show SMILES CC(C)C[C@H](NC(=O)c1cccc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)C(N)=O
Show InChI InChI=1S/C24H24FN3O3/c1-15(2)14-22(23(26)29)28-24(30)21-5-3-4-20(27-21)16-6-10-18(11-7-16)31-19-12-8-17(25)9-13-19/h3-13,15,22H,14H2,1-2H3,(H2,26,29)(H,28,30)/t22-/m0/s1
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n/an/a 340n/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...


US Patent US9765029 (2017)

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


(Homo sapiens (Human))
BDBM176480
PNG
(US9120752, 21 | US9765029, 21)
Show SMILES CS(=O)(=O)NCCNC(=O)c1cccc(n1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C21H20FN3O4S/c1-30(27,28)24-14-13-23-21(26)20-4-2-3-19(25-20)15-5-9-17(10-6-15)29-18-11-7-16(22)8-12-18/h2-12,24H,13-14H2,1H3,(H,23,26)
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n/an/a 390n/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...


US Patent US9765029 (2017)

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


(Homo sapiens (Human))
BDBM340816
PNG
(6-(4-(4-fluorophenoxyl)phenyl)-N-(2-(pyridine-3-su...)
Show SMILES Fc1ccc(Oc2ccc(cc2)-c2ccc(cn2)S(=O)(=O)NCCNC(=O)c2ccccn2)cc1
Show InChI InChI=1S/C25H21FN4O4S/c26-19-6-10-21(11-7-19)34-20-8-4-18(5-9-20)23-13-12-22(17-29-23)35(32,33)30-16-15-28-25(31)24-3-1-2-14-27-24/h1-14,17,30H,15-16H2,(H,28,31)
PDB

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n/an/a 390n/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...


US Patent US9765029 (2017)

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


(Homo sapiens (Human))
BDBM176472
PNG
(US9120752, 15 | US9765029, 15)
Show SMILES Fc1ccc(Oc2ccc(cc2)-c2cccc(n2)C(=O)N2CCN(CC2)S(=O)(=O)c2cccnc2)cc1
Show InChI InChI=1S/C27H23FN4O4S/c28-21-8-12-23(13-9-21)36-22-10-6-20(7-11-22)25-4-1-5-26(30-25)27(33)31-15-17-32(18-16-31)37(34,35)24-3-2-14-29-19-24/h1-14,19H,15-18H2
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n/an/a 420n/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...


US Patent US9765029 (2017)

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


(Homo sapiens (Human))
BDBM176467
PNG
(US9120752, 10 | US9765029, 10)
Show SMILES Fc1ccc(Oc2ccc(cc2)-c2cccc(n2)C(=O)N2CCN(CC2)S(=O)(=O)c2cccc(c2)C#N)cc1
Show InChI InChI=1S/C29H23FN4O4S/c30-23-9-13-25(14-10-23)38-24-11-7-22(8-12-24)27-5-2-6-28(32-27)29(35)33-15-17-34(18-16-33)39(36,37)26-4-1-3-21(19-26)20-31/h1-14,19H,15-18H2
PDB

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n/an/a 430n/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...


US Patent US9765029 (2017)

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


(Homo sapiens (Human))
BDBM176509
PNG
(US9120752, 48 | US9765029, 51)
Show SMILES NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cccc(n1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C27H22FN3O4/c28-19-8-14-22(15-9-19)35-21-12-6-18(7-13-21)23-2-1-3-24(30-23)27(34)31-25(26(29)33)16-17-4-10-20(32)11-5-17/h1-15,25,32H,16H2,(H2,29,33)(H,31,34)/t25-/m0/s1
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n/an/a 550n/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...


US Patent US9765029 (2017)

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


(Homo sapiens (Human))
BDBM176507
PNG
(US9120752, 46 | US9765029, 46)
Show SMILES CC(C)[C@H](NC(=O)c1cccc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)C(N)=O
Show InChI InChI=1S/C23H22FN3O3/c1-14(2)21(22(25)28)27-23(29)20-5-3-4-19(26-20)15-6-10-17(11-7-15)30-18-12-8-16(24)9-13-18/h3-14,21H,1-2H3,(H2,25,28)(H,27,29)/t21-/m0/s1
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n/an/a 610n/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...


US Patent US9765029 (2017)

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


(Homo sapiens (Human))
BDBM176499
PNG
(US9120752, 39 | US9765029, 39)
Show SMILES NC(=O)C[C@H](NC(=O)c1cccc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)C(N)=O
Show InChI InChI=1S/C22H19FN4O4/c23-14-6-10-16(11-7-14)31-15-8-4-13(5-9-15)17-2-1-3-18(26-17)22(30)27-19(21(25)29)12-20(24)28/h1-11,19H,12H2,(H2,24,28)(H2,25,29)(H,27,30)/t19-/m0/s1
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n/an/a 750n/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...


US Patent US9765029 (2017)

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


(Homo sapiens (Human))
BDBM176478
PNG
(US9120752, 60 | US9765029, 60)
Show SMILES CN1CCOc2cc(ccc12)S(=O)(=O)N1CCN(CC1)C(=O)c1cccc(n1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C31H29FN4O5S/c1-34-19-20-40-30-21-26(13-14-29(30)34)42(38,39)36-17-15-35(16-18-36)31(37)28-4-2-3-27(33-28)22-5-9-24(10-6-22)41-25-11-7-23(32)8-12-25/h2-14,21H,15-20H2,1H3
PDB

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n/an/a 780n/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...


US Patent US9765029 (2017)

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


(Homo sapiens (Human))
BDBM176465
PNG
(US9120752, 8 | US9765029, 8)
Show SMILES CS(=O)(=O)c1cccc(c1)S(=O)(=O)N1CCN(CC1)C(=O)c1cccc(n1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C29H26FN3O6S2/c1-40(35,36)25-4-2-5-26(20-25)41(37,38)33-18-16-32(17-19-33)29(34)28-7-3-6-27(31-28)21-8-12-23(13-9-21)39-24-14-10-22(30)11-15-24/h2-15,20H,16-19H2,1H3
PDB

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n/an/a 780n/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...


US Patent US9765029 (2017)

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


(Homo sapiens (Human))
BDBM176546
PNG
(US9120752, 63 | US9765029, 63)
Show SMILES CC(C)C[C@H](NC(=O)c1cc(cc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)[C@H](O)CO)C(N)=O
Show InChI InChI=1S/C26H28FN3O5/c1-15(2)11-22(25(28)33)30-26(34)23-13-17(24(32)14-31)12-21(29-23)16-3-7-19(8-4-16)35-20-9-5-18(27)6-10-20/h3-10,12-13,15,22,24,31-32H,11,14H2,1-2H3,(H2,28,33)(H,30,34)/t22-,24+/m0/s1
PDB

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n/an/a 814n/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...


US Patent US9765029 (2017)

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


(Homo sapiens (Human))
BDBM176474
PNG
(US9120752, 17 | US9765029, 17)
Show SMILES Fc1ccc(Oc2ccc(cc2)-c2cccc(n2)C(=O)N2CCN(CC2)S(=O)(=O)c2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C29H23FN4O4S/c30-23-8-12-25(13-9-23)38-24-10-6-22(7-11-24)27-2-1-3-28(32-27)29(35)33-16-18-34(19-17-33)39(36,37)26-14-4-21(20-31)5-15-26/h1-15H,16-19H2
PDB

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n/an/a 970n/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...


US Patent US9765029 (2017)

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


(Homo sapiens (Human))
BDBM176468
PNG
(US9120752, 11 | US9765029, 11)
Show SMILES CN(C)S(=O)(=O)N1CCN(CC1)C(=O)c1cccc(n1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C24H25FN4O4S/c1-27(2)34(31,32)29-16-14-28(15-17-29)24(30)23-5-3-4-22(26-23)18-6-10-20(11-7-18)33-21-12-8-19(25)9-13-21/h3-13H,14-17H2,1-2H3
PDB

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n/an/a 1.01E+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...


US Patent US9765029 (2017)

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


(Homo sapiens (Human))
BDBM176470
PNG
(US9120752, 13 | US9765029, 13)
Show SMILES CS(=O)(=O)N1CCN(CC1)C(=O)c1cccc(n1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C23H22FN3O4S/c1-32(29,30)27-15-13-26(14-16-27)23(28)22-4-2-3-21(25-22)17-5-9-19(10-6-17)31-20-11-7-18(24)8-12-20/h2-12H,13-16H2,1H3
PDB

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n/an/a 1.31E+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...


US Patent US9765029 (2017)

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


(Homo sapiens (Human))
BDBM176500
PNG
(US9120752, 40 | US9765029, 40)
Show SMILES NC(=O)[C@@H](CO)NC(=O)c1cccc(n1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C21H18FN3O4/c22-14-6-10-16(11-7-14)29-15-8-4-13(5-9-15)17-2-1-3-18(24-17)21(28)25-19(12-26)20(23)27/h1-11,19,26H,12H2,(H2,23,27)(H,25,28)/t19-/m1/s1
PDB

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n/an/a 1.32E+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...


US Patent US9765029 (2017)

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


(Homo sapiens (Human))
BDBM176508
PNG
(US9120752, 47 | US9765029, 47)
Show SMILES NC(=O)[C@H](CO)NC(=O)c1cccc(n1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C21H18FN3O4/c22-14-6-10-16(11-7-14)29-15-8-4-13(5-9-15)17-2-1-3-18(24-17)21(28)25-19(12-26)20(23)27/h1-11,19,26H,12H2,(H2,23,27)(H,25,28)/t19-/m0/s1
PDB

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n/an/a 1.53E+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...


US Patent US9765029 (2017)

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


(Homo sapiens (Human))
BDBM176503
PNG
(US9120752, 43 | US9765029, 43)
Show SMILES CC(O)[C@H](NC(=O)c1cccc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)C(N)=O
Show InChI InChI=1S/C22H20FN3O4/c1-13(27)20(21(24)28)26-22(29)19-4-2-3-18(25-19)14-5-9-16(10-6-14)30-17-11-7-15(23)8-12-17/h2-13,20,27H,1H3,(H2,24,28)(H,26,29)/t13?,20-/m0/s1
PDB

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n/an/a 1.56E+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...


US Patent US9765029 (2017)

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


(Homo sapiens (Human))
BDBM176535
PNG
(US9120752, 65 | US9765029, 65)
Show SMILES CC(C)C[C@H](NC(=O)c1cc(cc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)[C@@H](O)CO)C(N)=O
Show InChI InChI=1S/C26H28FN3O5/c1-15(2)11-22(25(28)33)30-26(34)23-13-17(24(32)14-31)12-21(29-23)16-3-7-19(8-4-16)35-20-9-5-18(27)6-10-20/h3-10,12-13,15,22,24,31-32H,11,14H2,1-2H3,(H2,28,33)(H,30,34)/t22-,24-/m0/s1
PDB

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n/an/a 1.56E+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...


US Patent US9765029 (2017)

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


(Homo sapiens (Human))
BDBM176502
PNG
(US9120752, 42 | US9765029, 42)
Show SMILES NC(=O)[C@@H]1CCCN1C(=O)c1cccc(n1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C23H20FN3O3/c24-16-8-12-18(13-9-16)30-17-10-6-15(7-11-17)19-3-1-4-20(26-19)23(29)27-14-2-5-21(27)22(25)28/h1,3-4,6-13,21H,2,5,14H2,(H2,25,28)/t21-/m0/s1
PDB

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n/an/a 2.12E+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...


US Patent US9765029 (2017)

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


(Homo sapiens (Human))
BDBM176526
PNG
(US9120752, 58 | US9765029, 58)
Show SMILES OC[C@@H](O)c1cc(nc(c1)-c1ccc(Oc2ccc(F)cc2)cc1)C(=O)N1CCN(CC1)S(=O)(=O)c1cccc(c1)C#N
Show InChI InChI=1S/C31H27FN4O6S/c32-24-6-10-26(11-7-24)42-25-8-4-22(5-9-25)28-17-23(30(38)20-37)18-29(34-28)31(39)35-12-14-36(15-13-35)43(40,41)27-3-1-2-21(16-27)19-33/h1-11,16-18,30,37-38H,12-15,20H2/t30-/m1/s1
PDB

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n/an/a 2.31E+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...


US Patent US9765029 (2017)

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


(Homo sapiens (Human))
BDBM176509
PNG
(US9120752, 48 | US9765029, 51)
Show SMILES NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cccc(n1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C27H22FN3O4/c28-19-8-14-22(15-9-19)35-21-12-6-18(7-13-21)23-2-1-3-24(30-23)27(34)31-25(26(29)33)16-17-4-10-20(32)11-5-17/h1-15,25,32H,16H2,(H2,29,33)(H,31,34)/t25-/m0/s1
PDB

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n/an/a 2.89E+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...


US Patent US9765029 (2017)

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


(Homo sapiens (Human))
BDBM176475
PNG
(US9120752, 18 | US9765029, 18)
Show SMILES OC(=O)c1cccc(c1)S(=O)(=O)N1CCN(CC1)C(=O)c1cccc(n1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C29H24FN3O6S/c30-22-9-13-24(14-10-22)39-23-11-7-20(8-12-23)26-5-2-6-27(31-26)28(34)32-15-17-33(18-16-32)40(37,38)25-4-1-3-21(19-25)29(35)36/h1-14,19H,15-18H2,(H,35,36)
PDB

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n/an/a 3.48E+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...


US Patent US9765029 (2017)

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


(Homo sapiens (Human))
BDBM176497
PNG
(US9120752, 37 | US9765029, 37)
Show SMILES NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc(n1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C29H23FN4O3/c30-20-10-14-22(15-11-20)37-21-12-8-18(9-13-21)24-6-3-7-26(33-24)29(36)34-27(28(31)35)16-19-17-32-25-5-2-1-4-23(19)25/h1-15,17,27,32H,16H2,(H2,31,35)(H,34,36)/t27-/m1/s1
PDB

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n/an/a 4.02E+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...


US Patent US9765029 (2017)

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


(Homo sapiens (Human))
BDBM176527
PNG
(US9120752, 61 | US9765029, 61)
Show SMILES C[C@H](NC(=O)c1cccc(n1)-c1ccc(Oc2ccc(cn2)C(F)(F)F)cc1)C(N)=O
Show InChI InChI=1S/C21H17F3N4O3/c1-12(19(25)29)27-20(30)17-4-2-3-16(28-17)13-5-8-15(9-6-13)31-18-10-7-14(11-26-18)21(22,23)24/h2-12H,1H3,(H2,25,29)(H,27,30)/t12-/m0/s1
PDB

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n/an/a 4.34E+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...


US Patent US9765029 (2017)

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


(Homo sapiens (Human))
BDBM176476
PNG
(US9120752, 19 | US9765029, 19)
Show SMILES OC(=O)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)c1cccc(n1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C29H24FN3O6S/c30-22-8-12-24(13-9-22)39-23-10-4-20(5-11-23)26-2-1-3-27(31-26)28(34)32-16-18-33(19-17-32)40(37,38)25-14-6-21(7-15-25)29(35)36/h1-15H,16-19H2,(H,35,36)
PDB

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n/an/a 4.81E+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...


US Patent US9765029 (2017)

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


(Homo sapiens (Human))
BDBM176517
PNG
(US9120752, 55 | US9765029, 55)
Show SMILES Fc1ccc(Oc2cccc(n2)C(=O)N2CCN(CC2)S(=O)(=O)c2cccc(c2)C#N)cc1
Show InChI InChI=1S/C23H19FN4O4S/c24-18-7-9-19(10-8-18)32-22-6-2-5-21(26-22)23(29)27-11-13-28(14-12-27)33(30,31)20-4-1-3-17(15-20)16-25/h1-10,15H,11-14H2
PDB

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n/an/a 5.94E+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...


US Patent US9765029 (2017)

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


(Homo sapiens (Human))
BDBM176520
PNG
(US9120752, 56 | US9765029, 56)
Show SMILES Fc1ccc(cc1)-c1cccc(n1)C(=O)N1CCN(CC1)S(=O)(=O)c1cccc(c1)C#N
Show InChI InChI=1S/C23H19FN4O3S/c24-19-9-7-18(8-10-19)21-5-2-6-22(26-21)23(29)27-11-13-28(14-12-27)32(30,31)20-4-1-3-17(15-20)16-25/h1-10,15H,11-14H2
PDB

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n/an/a 6.81E+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...


US Patent US9765029 (2017)

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


(Homo sapiens (Human))
BDBM340868
PNG
(N-((S)-1-amino-4-methyl-1-oxopentan-2-yl)-4-((R)-1...)
Show SMILES CC(N)C[C@H](NC(=O)c1cc(cc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)[C@@H](O)CO)C(N)=O
Show InChI InChI=1S/C25H27FN4O5/c1-14(27)10-21(24(28)33)30-25(34)22-12-16(23(32)13-31)11-20(29-22)15-2-6-18(7-3-15)35-19-8-4-17(26)5-9-19/h2-9,11-12,14,21,23,31-32H,10,13,27H2,1H3,(H2,28,33)(H,30,34)/t14?,21-,23-/m0/s1
PDB

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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...


US Patent US9765029 (2017)

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


(Homo sapiens (Human))
BDBM176501
PNG
(US9120752, 41 | US9765029, 41)
Show SMILES NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(n1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C27H22FN3O3/c28-20-11-15-22(16-12-20)34-21-13-9-19(10-14-21)23-7-4-8-24(30-23)27(33)31-25(26(29)32)17-18-5-2-1-3-6-18/h1-16,25H,17H2,(H2,29,32)(H,31,33)/t25-/m0/s1
PDB

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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...


US Patent US9765029 (2017)

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


(Homo sapiens (Human))
BDBM176536
PNG
(US9120752, 64 | US9765029, 64)
Show SMILES NC(=O)C[C@H](NC(=O)c1cc(cc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)[C@H](O)CO)C(N)=O
Show InChI InChI=1S/C24H23FN4O6/c25-15-3-7-17(8-4-15)35-16-5-1-13(2-6-16)18-9-14(21(31)12-30)10-20(28-18)24(34)29-19(23(27)33)11-22(26)32/h1-10,19,21,30-31H,11-12H2,(H2,26,32)(H2,27,33)(H,29,34)/t19-,21+/m0/s1
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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...


US Patent US9765029 (2017)

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