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Patent code US9611222

Compile Data Set for Download or QSAR
Found 152 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))
BDBM162442
PNG
(US9056832, 61 | US9611222, Example 61)
Show SMILES FC(F)(F)c1ccc(Oc2ccc(cc2)-c2cccc(CNCCN3CCNC3=O)n2)cc1
Show InChI InChI=1S/C24H23F3N4O2/c25-24(26,27)18-6-10-21(11-7-18)33-20-8-4-17(5-9-20)22-3-1-2-19(30-22)16-28-12-14-31-15-13-29-23(31)32/h1-11,28H,12-16H2,(H,29,32)
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US Patent
n/an/a 30n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162384
PNG
(US9056832, 3 | US9611222, Example 3)
Show SMILES OCC(O)c1cccc(n1)-c1ccc(Oc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C20H16F3NO3/c21-20(22,23)14-6-10-16(11-7-14)27-15-8-4-13(5-9-15)17-2-1-3-18(24-17)19(26)12-25/h1-11,19,25-26H,12H2
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n/an/a 70n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162522
PNG
(US9056832, 141 | US9611222, Example 141)
Show SMILES NC(=O)c1cc(cc(n1)-c1ccc(Oc2ccc(Cl)cc2F)cc1)[C@@H](O)CO
Show InChI InChI=1S/C20H16ClFN2O4/c21-13-3-6-19(15(22)9-13)28-14-4-1-11(2-5-14)16-7-12(18(26)10-25)8-17(24-16)20(23)27/h1-9,18,25-26H,10H2,(H2,23,27)/t18-/m0/s1
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n/an/a 70n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162521
PNG
(US9056832, 140 | US9611222, Example 140)
Show SMILES NC(=O)c1cc(cc(n1)-c1ccc(Oc2ccc(Cl)cc2F)cc1)[C@H](O)CO
Show InChI InChI=1S/C20H16ClFN2O4/c21-13-3-6-19(15(22)9-13)28-14-4-1-11(2-5-14)16-7-12(18(26)10-25)8-17(24-16)20(23)27/h1-9,18,25-26H,10H2,(H2,23,27)/t18-/m1/s1
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n/an/a 70n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162443
PNG
(US9056832, 62 | US9611222, Example 62)
Show SMILES Fc1ccc(Oc2ccc(cc2)-c2cccc(CNCCN3CCNC3=O)n2)cc1
Show InChI InChI=1S/C23H23FN4O2/c24-18-6-10-21(11-7-18)30-20-8-4-17(5-9-20)22-3-1-2-19(27-22)16-25-12-14-28-15-13-26-23(28)29/h1-11,25H,12-16H2,(H,26,29)
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US Patent
n/an/a 70n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162496
PNG
(US9056832, 115 | US9611222, Example 115)
Show SMILES NC(=O)c1cc(cc(n1)N(CCC#N)c1ccccc1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C27H21FN4O2/c28-21-9-13-24(14-10-21)34-23-11-7-19(8-12-23)20-17-25(27(30)33)31-26(18-20)32(16-4-15-29)22-5-2-1-3-6-22/h1-3,5-14,17-18H,4,16H2,(H2,30,33)
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n/an/a 80n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162429
PNG
(US9056832, 48 | US9611222, Example 48)
Show SMILES NC(=O)c1cc(NCCN2CCS(=O)(=O)CC2)cc(n1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C24H25FN4O4S/c25-18-3-7-21(8-4-18)33-20-5-1-17(2-6-20)22-15-19(16-23(28-22)24(26)30)27-9-10-29-11-13-34(31,32)14-12-29/h1-8,15-16H,9-14H2,(H2,26,30)(H,27,28)
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n/an/a 90n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162455
PNG
(US9056832, 74 | US9611222, Example 74)
Show SMILES NC(=O)c1cc(cc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)N1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C26H23FN6O2/c27-19-4-8-22(9-5-19)35-21-6-2-18(3-7-21)23-16-20(17-24(31-23)25(28)34)32-12-14-33(15-13-32)26-29-10-1-11-30-26/h1-11,16-17H,12-15H2,(H2,28,34)
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n/an/a 90n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162444
PNG
(US9056832, 63 | US9611222, Example 63)
Show SMILES FC(F)(F)c1ccc(Oc2ccc(cc2)-c2cccc(CNCCN3CCNC3=O)n2)c(c1)C#N
Show InChI InChI=1S/C25H22F3N5O2/c26-25(27,28)19-6-9-23(18(14-19)15-29)35-21-7-4-17(5-8-21)22-3-1-2-20(32-22)16-30-10-12-33-13-11-31-24(33)34/h1-9,14,30H,10-13,16H2,(H,31,34)
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n/an/a 90n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162454
PNG
(US9056832, 73 | US9611222, Example 73)
Show SMILES CC(C)NC(=O)N1CCN(CC1)c1cc(nc(c1)-c1ccc(Oc2ccc(F)cc2)cc1)C(N)=O
Show InChI InChI=1S/C26H28FN5O3/c1-17(2)29-26(34)32-13-11-31(12-14-32)20-15-23(30-24(16-20)25(28)33)18-3-7-21(8-4-18)35-22-9-5-19(27)6-10-22/h3-10,15-17H,11-14H2,1-2H3,(H2,28,33)(H,29,34)
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n/an/a 90n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162527
PNG
(US9056832, 146 | US9611222, Example 146)
Show SMILES CN(c1ccccc1)c1cc(cc(n1)C(N)=O)-c1ccc(Oc2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C26H20N4O2/c1-30(21-5-3-2-4-6-21)25-16-20(15-24(29-25)26(28)31)19-9-13-23(14-10-19)32-22-11-7-18(17-27)8-12-22/h2-16H,1H3,(H2,28,31)
PDB

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US Patent
n/an/a 90n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162445
PNG
(US9056832, 64 | US9611222, Example 64)
Show SMILES Fc1ccc(Oc2ccc(cc2)-c2cccc(CCNCCN3CCNC3=O)n2)cc1
Show InChI InChI=1S/C24H25FN4O2/c25-19-6-10-22(11-7-19)31-21-8-4-18(5-9-21)23-3-1-2-20(28-23)12-13-26-14-16-29-17-15-27-24(29)30/h1-11,26H,12-17H2,(H,27,30)
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n/an/a 100n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162480
PNG
(US9056832, 99 | US9611222, Example 99)
Show SMILES NC(=O)c1cc(cc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)-n1ccc2c(cccc12)C#N
Show InChI InChI=1S/C27H17FN4O2/c28-19-6-10-22(11-7-19)34-21-8-4-17(5-9-21)24-14-20(15-25(31-24)27(30)33)32-13-12-23-18(16-29)2-1-3-26(23)32/h1-15H,(H2,30,33)
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n/an/a 100n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162430
PNG
(US9056832, 49 | US9611222, Example 49)
Show SMILES NC(=O)c1cc(NCc2ncccn2)cc(n1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C23H18FN5O2/c24-16-4-8-19(9-5-16)31-18-6-2-15(3-7-18)20-12-17(13-21(29-20)23(25)30)28-14-22-26-10-1-11-27-22/h1-13H,14H2,(H2,25,30)(H,28,29)
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n/an/a 100n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162538
PNG
(US9056832, 157 | US9611222, Example 157)
Show SMILES NC(=O)c1cc(cc(n1)[C@@H](O)CO)-c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C21H17F3N2O5/c22-21(23,24)31-16-7-5-15(6-8-16)30-14-3-1-12(2-4-14)13-9-17(19(28)11-27)26-18(10-13)20(25)29/h1-10,19,27-28H,11H2,(H2,25,29)/t19-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162446
PNG
(US9056832, 65 | US9611222, Example 65)
Show SMILES FC(F)(F)c1cc(ccc1Oc1ccc(cc1)-c1cccc(CNCCN2CCNC2=O)n1)C#N
Show InChI InChI=1S/C25H22F3N5O2/c26-25(27,28)21-14-17(15-29)4-9-23(21)35-20-7-5-18(6-8-20)22-3-1-2-19(32-22)16-30-10-12-33-13-11-31-24(33)34/h1-9,14,30H,10-13,16H2,(H,31,34)
PDB

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n/an/a 120n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162477
PNG
(US9056832, 96 | US9611222, Example 96)
Show SMILES NC(=O)c1cc(cc(n1)[C@@H](O)CO)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C20H17FN2O4/c21-14-3-7-16(8-4-14)27-15-5-1-12(2-6-15)13-9-17(19(25)11-24)23-18(10-13)20(22)26/h1-10,19,24-25H,11H2,(H2,22,26)/t19-/m0/s1
PDB

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n/an/a 120n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162385
PNG
(US9056832, 4 | US9611222, Example 4)
Show SMILES OC[C@@H](O)c1cccc(n1)-c1ccc(Oc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C20H16F3NO3/c21-20(22,23)14-6-10-16(11-7-14)27-15-8-4-13(5-9-15)17-2-1-3-18(24-17)19(26)12-25/h1-11,19,25-26H,12H2/t19-/m1/s1
PDB

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n/an/a 120n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162537
PNG
(US9056832, 156 | US9611222, Example 156)
Show SMILES NC(=O)c1cc(cc(n1)[C@H](O)CO)-c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C21H17F3N2O5/c22-21(23,24)31-16-7-5-15(6-8-16)30-14-3-1-12(2-4-14)13-9-17(19(28)11-27)26-18(10-13)20(25)29/h1-10,19,27-28H,11H2,(H2,25,29)/t19-/m1/s1
PDB

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n/an/a 130n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM314283
PNG
(US9611222, Example 108)
Show SMILES Cc1cc(cc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)-c1nnn(CC(N)=O)n1
Show InChI InChI=1S/C21H17FN6O2/c1-13-10-15(21-25-27-28(26-21)12-20(23)29)11-19(24-13)14-2-6-17(7-3-14)30-18-8-4-16(22)5-9-18/h2-11H,12H2,1H3,(H2,23,29)
PDB

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US Patent
n/an/a 130n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162447
PNG
(US9056832, 66 | US9611222, Example 66)
Show SMILES FC(F)(F)c1cnc(Oc2ccc(cc2)-c2cccc(CNCCN3CCNC3=O)n2)c(Cl)c1
Show InChI InChI=1S/C23H21ClF3N5O2/c24-19-12-16(23(25,26)27)13-30-21(19)34-18-6-4-15(5-7-18)20-3-1-2-17(31-20)14-28-8-10-32-11-9-29-22(32)33/h1-7,12-13,28H,8-11,14H2,(H,29,33)
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n/an/a 130n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162420
PNG
(US9056832, 39 | US9611222, Example 39)
Show SMILES NC(=O)c1cc(cc(n1)-c1ccc(Oc2cc(Cl)ccc2F)cc1)[C@H](O)CO
Show InChI InChI=1S/C20H16ClFN2O4/c21-13-3-6-15(22)19(9-13)28-14-4-1-11(2-5-14)16-7-12(18(26)10-25)8-17(24-16)20(23)27/h1-9,18,25-26H,10H2,(H2,23,27)/t18-/m1/s1
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n/an/a 130n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162431
PNG
(US9056832, 50 | US9611222, Example 50)
Show SMILES CS(=O)(=O)NCc1cc(nc(c1)-c1ccc(Oc2ccc(F)cc2)cc1)C(N)=O
Show InChI InChI=1S/C20H18FN3O4S/c1-29(26,27)23-12-13-10-18(24-19(11-13)20(22)25)14-2-6-16(7-3-14)28-17-8-4-15(21)5-9-17/h2-11,23H,12H2,1H3,(H2,22,25)
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n/an/a 140n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162503
PNG
(US9056832, 122 | US9611222, Example 122)
Show SMILES NC(=O)c1cc(cc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)C1=CCNCC1
Show InChI InChI=1S/C23H20FN3O2/c24-18-3-7-20(8-4-18)29-19-5-1-16(2-6-19)21-13-17(14-22(27-21)23(25)28)15-9-11-26-12-10-15/h1-9,13-14,26H,10-12H2,(H2,25,28)
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n/an/a 140n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162426
PNG
(US9056832, 45 | US9611222, Example 45)
Show SMILES NC(=O)c1cc(NCc2cccnc2)cc(n1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C24H19FN4O2/c25-18-5-9-21(10-6-18)31-20-7-3-17(4-8-20)22-12-19(13-23(29-22)24(26)30)28-15-16-2-1-11-27-14-16/h1-14H,15H2,(H2,26,30)(H,28,29)
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n/an/a 150n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162532
PNG
(US9056832, 151 | US9611222, Example 151)
Show SMILES NC(=O)c1cc(cc(n1)N(CCc1nn[nH]n1)c1ccccc1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C27H22FN7O2/c28-20-8-12-23(13-9-20)37-22-10-6-18(7-11-22)19-16-24(27(29)36)30-26(17-19)35(21-4-2-1-3-5-21)15-14-25-31-33-34-32-25/h1-13,16-17H,14-15H2,(H2,29,36)(H,31,32,33,34)
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n/an/a 160n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162539
PNG
(US9056832, 158 | US9611222, Example 158)
Show SMILES NC(=O)c1cc(cc(n1)[C@H](O)CO)-c1ccc(Oc2cccc(OC(F)(F)F)c2)cc1
Show InChI InChI=1S/C21H17F3N2O5/c22-21(23,24)31-16-3-1-2-15(10-16)30-14-6-4-12(5-7-14)13-8-17(19(28)11-27)26-18(9-13)20(25)29/h1-10,19,27-28H,11H2,(H2,25,29)/t19-/m1/s1
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n/an/a 160n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162441
PNG
(US9056832, 60 | US9611222, Example 60)
Show SMILES NC(=O)c1cc(CNCCN2CCNC2=O)cc(n1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C24H24FN5O3/c25-18-3-7-20(8-4-18)33-19-5-1-17(2-6-19)21-13-16(14-22(29-21)23(26)31)15-27-9-11-30-12-10-28-24(30)32/h1-8,13-14,27H,9-12,15H2,(H2,26,31)(H,28,32)
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n/an/a 160n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162386
PNG
(US9056832, 5 | US9611222, Example 5)
Show SMILES OC[C@H](O)c1cccc(n1)-c1ccc(Oc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C20H16F3NO3/c21-20(22,23)14-6-10-16(11-7-14)27-15-8-4-13(5-9-15)17-2-1-3-18(24-17)19(26)12-25/h1-11,19,25-26H,12H2/t19-/m0/s1
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n/an/a 160n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM314273
PNG
(US9611222, Example 95)
Show SMILES OC[C@@H](O)c1cc(cc(n1)C(O)=O)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C20H16FNO5/c21-14-3-7-16(8-4-14)27-15-5-1-12(2-6-15)13-9-17(19(24)11-23)22-18(10-13)20(25)26/h1-10,19,23-24H,11H2,(H,25,26)/t19-/m1/s1
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n/an/a 170n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162504
PNG
(US9056832, 123 | US9611222, Example 123)
Show SMILES NC(=O)c1cc(cc(n1)-c1ccc(Oc2cc(Cl)ccc2F)cc1)[C@@H](O)CO
Show InChI InChI=1S/C20H16ClFN2O4/c21-13-3-6-15(22)19(9-13)28-14-4-1-11(2-5-14)16-7-12(18(26)10-25)8-17(24-16)20(23)27/h1-9,18,25-26H,10H2,(H2,23,27)/t18-/m0/s1
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n/an/a 170n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162448
PNG
(US9056832, 67 | US9611222, Example 67)
Show SMILES O=C1NCCN1CCNCc1cccc(n1)-c1ccc(Oc2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C24H23N5O2/c25-16-18-4-8-21(9-5-18)31-22-10-6-19(7-11-22)23-3-1-2-20(28-23)17-26-12-14-29-15-13-27-24(29)30/h1-11,26H,12-15,17H2,(H,27,30)
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n/an/a 170n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162449
PNG
(US9056832, 68 | US9611222, Example 68)
Show SMILES FC(F)(F)c1ccc(Oc2ccc(cc2)-c2cccc(CNCCN3CCNC3=O)n2)nc1
Show InChI InChI=1S/C23H22F3N5O2/c24-23(25,26)17-6-9-21(29-14-17)33-19-7-4-16(5-8-19)20-3-1-2-18(30-20)15-27-10-12-31-13-11-28-22(31)32/h1-9,14,27H,10-13,15H2,(H,28,32)
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n/an/a 180n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162432
PNG
(US9056832, 51 | US9611222, Example 51)
Show SMILES NC(=O)c1cc(CN2CCNCC2)cc(n1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C23H23FN4O2/c24-18-3-7-20(8-4-18)30-19-5-1-17(2-6-19)21-13-16(14-22(27-21)23(25)29)15-28-11-9-26-10-12-28/h1-8,13-14,26H,9-12,15H2,(H2,25,29)
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n/an/a 180n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162450
PNG
(US9056832, 69 | US9611222, Example 69)
Show SMILES Fc1ccc(Oc2ccc(cc2)-c2cccc(CN(CCN3CCNC3=O)CC#N)n2)cc1
Show InChI InChI=1S/C25H24FN5O2/c26-20-6-10-23(11-7-20)33-22-8-4-19(5-9-22)24-3-1-2-21(29-24)18-30(14-12-27)16-17-31-15-13-28-25(31)32/h1-11H,13-18H2,(H,28,32)
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n/an/a 190n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162433
PNG
(US9056832, 52 | US9611222, Example 52)
Show SMILES NC(=O)CN1CCC(CNc2cc(nc(c2)-c2ccc(Oc3ccc(F)cc3)cc2)C(N)=O)CC1
Show InChI InChI=1S/C26H28FN5O3/c27-19-3-7-22(8-4-19)35-21-5-1-18(2-6-21)23-13-20(14-24(31-23)26(29)34)30-15-17-9-11-32(12-10-17)16-25(28)33/h1-8,13-14,17H,9-12,15-16H2,(H2,28,33)(H2,29,34)(H,30,31)
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n/an/a 200n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162435
PNG
(US9056832, 54 | US9611222, Example 54)
Show SMILES NC(=O)c1cc(NCCCn2ccnc2)cc(n1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C24H22FN5O2/c25-18-4-8-21(9-5-18)32-20-6-2-17(3-7-20)22-14-19(15-23(29-22)24(26)31)28-10-1-12-30-13-11-27-16-30/h2-9,11,13-16H,1,10,12H2,(H2,26,31)(H,28,29)
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n/an/a 220n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162417
PNG
(US9056832, 36 | US9611222, Example 36)
Show SMILES NC(=O)c1cc(cc(n1)-c1ccc(Oc2ccc(cc2C(F)(F)F)C#N)cc1)[C@@H](O)CO
Show InChI InChI=1S/C22H16F3N3O4/c23-22(24,25)16-7-12(10-26)1-6-20(16)32-15-4-2-13(3-5-15)17-8-14(19(30)11-29)9-18(28-17)21(27)31/h1-9,19,29-30H,11H2,(H2,27,31)/t19-/m0/s1
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n/an/a 220n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM314275
PNG
(US9611222, Example 98)
Show SMILES NC(=O)CN(c1ccccc1)c1cc(cc(n1)C(O)=O)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C26H20FN3O4/c27-19-8-12-22(13-9-19)34-21-10-6-17(7-11-21)18-14-23(26(32)33)29-25(15-18)30(16-24(28)31)20-4-2-1-3-5-20/h1-15H,16H2,(H2,28,31)(H,32,33)
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n/an/a 220n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162434
PNG
(US9056832, 53 | US9611222, Example 53)
Show SMILES NC(=O)c1cc(NCCN2CCOCC2)cc(n1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C24H25FN4O3/c25-18-3-7-21(8-4-18)32-20-5-1-17(2-6-20)22-15-19(16-23(28-22)24(26)30)27-9-10-29-11-13-31-14-12-29/h1-8,15-16H,9-14H2,(H2,26,30)(H,27,28)
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n/an/a 220n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162428
PNG
(US9056832, 47 | US9611222, Example 47)
Show SMILES NC(=O)c1cc(NCc2ccccn2)cc(n1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C24H19FN4O2/c25-17-6-10-21(11-7-17)31-20-8-4-16(5-9-20)22-13-19(14-23(29-22)24(26)30)28-15-18-3-1-2-12-27-18/h1-14H,15H2,(H2,26,30)(H,28,29)
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n/an/a 220n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162451
PNG
(US9056832, 70 | US9611222, Example 70)
Show SMILES FC(F)(F)c1ccc(Oc2ccc(cc2)-c2cccc(CNCCN3CCNC3=O)n2)cc1C#N
Show InChI InChI=1S/C25H22F3N5O2/c26-25(27,28)22-9-8-21(14-18(22)15-29)35-20-6-4-17(5-7-20)23-3-1-2-19(32-23)16-30-10-12-33-13-11-31-24(33)34/h1-9,14,30H,10-13,16H2,(H,31,34)
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n/an/a 230n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162436
PNG
(US9056832, 55 | US9611222, Example 55)
Show SMILES NC(=O)c1cc(cc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)N1CCNCC1
Show InChI InChI=1S/C22H21FN4O2/c23-16-3-7-19(8-4-16)29-18-5-1-15(2-6-18)20-13-17(14-21(26-20)22(24)28)27-11-9-25-10-12-27/h1-8,13-14,25H,9-12H2,(H2,24,28)
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n/an/a 230n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162469
PNG
(US9056832, 88 | US9611222, Example 88)
Show SMILES C[C@H](NCc1cccc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)C(N)=O
Show InChI InChI=1S/C21H20FN3O2/c1-14(21(23)26)24-13-17-3-2-4-20(25-17)15-5-9-18(10-6-15)27-19-11-7-16(22)8-12-19/h2-12,14,24H,13H2,1H3,(H2,23,26)/t14-/m0/s1
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n/an/a 230n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162411
PNG
(US9056832, 30 | US9611222, Example 30)
Show SMILES NC(=O)c1cc(cc(n1)-c1ccc(Oc2ccc(cc2)C(F)(F)F)cc1)[C@H](O)CO
Show InChI InChI=1S/C21H17F3N2O4/c22-21(23,24)14-3-7-16(8-4-14)30-15-5-1-12(2-6-15)17-9-13(19(28)11-27)10-18(26-17)20(25)29/h1-10,19,27-28H,11H2,(H2,25,29)/t19-/m1/s1
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n/an/a 240n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162422
PNG
(US9056832, 41 | US9611222, Example 41)
Show SMILES NC(=O)c1cc(cc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)[C@H](O)CO
Show InChI InChI=1S/C20H17FN2O4/c21-14-3-7-16(8-4-14)27-15-5-1-12(2-6-15)17-9-13(19(25)11-24)10-18(23-17)20(22)26/h1-10,19,24-25H,11H2,(H2,22,26)/t19-/m1/s1
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n/an/a 240n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162529
PNG
(US9056832, 148 | US9611222, Example 148)
Show SMILES CN(c1ccccc1)c1cc(cc(n1)C(N)=O)-c1ccc(Oc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C26H20F3N3O2/c1-32(20-5-3-2-4-6-20)24-16-18(15-23(31-24)25(30)33)17-7-11-21(12-8-17)34-22-13-9-19(10-14-22)26(27,28)29/h2-16H,1H3,(H2,30,33)
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n/an/a 250n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162387
PNG
(US9056832, 6 | US9611222, Example 6)
Show SMILES OC[C@@H](O)c1cccc(n1)-c1ccc(Oc2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C20H16N2O3/c21-12-14-4-8-16(9-5-14)25-17-10-6-15(7-11-17)18-2-1-3-19(22-18)20(24)13-23/h1-11,20,23-24H,13H2/t20-/m1/s1
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n/an/a 270n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162481
PNG
(US9056832, 100 | US9611222, Example 100)
Show SMILES NC(=O)c1cc(cc(n1)-n1ccc2c(cccc12)C#N)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C27H17FN4O2/c28-20-6-10-22(11-7-20)34-21-8-4-17(5-9-21)19-14-24(27(30)33)31-26(15-19)32-13-12-23-18(16-29)2-1-3-25(23)32/h1-15H,(H2,30,33)
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n/an/a 270n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162482
PNG
(US9056832, 101 | US9611222, Example 101)
Show SMILES OC(=O)c1cc(cc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)-n1ccc2c(cccc12)C#N
Show InChI InChI=1S/C27H16FN3O3/c28-19-6-10-22(11-7-19)34-21-8-4-17(5-9-21)24-14-20(15-25(30-24)27(32)33)31-13-12-23-18(16-29)2-1-3-26(23)31/h1-15H,(H,32,33)
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n/an/a 270n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162540
PNG
(US9056832, 159 | US9611222, Example 159)
Show SMILES NC(=O)c1cc(cc(n1)-c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)[C@H](O)CO
Show InChI InChI=1S/C21H17F3N2O5/c22-21(23,24)31-16-7-5-15(6-8-16)30-14-3-1-12(2-4-14)17-9-13(19(28)11-27)10-18(26-17)20(25)29/h1-10,19,27-28H,11H2,(H2,25,29)/t19-/m1/s1
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n/an/a 300n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162437
PNG
(US9056832, 56 | US9611222, Example 56)
Show SMILES NC(=O)C1CCN(CC1)c1cc(nc(c1)-c1ccc(Oc2ccc(F)cc2)cc1)C(N)=O
Show InChI InChI=1S/C24H23FN4O3/c25-17-3-7-20(8-4-17)32-19-5-1-15(2-6-19)21-13-18(14-22(28-21)24(27)31)29-11-9-16(10-12-29)23(26)30/h1-8,13-14,16H,9-12H2,(H2,26,30)(H2,27,31)
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n/an/a 310n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162388
PNG
(US9056832, 7 | US9611222, Example 7)
Show SMILES CC(C)NC(=O)N1CCN(CC1)c1cc(nc(c1)-c1ccc(Oc2ccc(F)cc2)cc1)[C@@H](O)CO
Show InChI InChI=1S/C27H31FN4O4/c1-18(2)29-27(35)32-13-11-31(12-14-32)21-15-24(30-25(16-21)26(34)17-33)19-3-7-22(8-4-19)36-23-9-5-20(28)6-10-23/h3-10,15-16,18,26,33-34H,11-14,17H2,1-2H3,(H,29,35)/t26-/m0/s1
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n/an/a 320n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162452
PNG
(US9056832, 71 | US9611222, Example 71)
Show SMILES CS(=O)(=O)c1ccc(Oc2ccc(cc2)-c2cccc(CNCCN3CCNC3=O)n2)cc1
Show InChI InChI=1S/C24H26N4O4S/c1-33(30,31)22-11-9-21(10-12-22)32-20-7-5-18(6-8-20)23-4-2-3-19(27-23)17-25-13-15-28-16-14-26-24(28)29/h2-12,25H,13-17H2,1H3,(H,26,29)
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Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162419
PNG
(US9056832, 38 | US9611222, Example 38)
Show SMILES NC(=O)c1cc(cc(n1)-c1ccc(Oc2ccc(cc2)C#N)cc1)[C@@H](O)CO
Show InChI InChI=1S/C21H17N3O4/c22-11-13-1-5-16(6-2-13)28-17-7-3-14(4-8-17)18-9-15(20(26)12-25)10-19(24-18)21(23)27/h1-10,20,25-26H,12H2,(H2,23,27)/t20-/m0/s1
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Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162494
PNG
(US9056832, 113 | US9611222, Example 113)
Show SMILES CN(c1ccccc1)c1cc(cc(n1)C(N)=O)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C25H20FN3O2/c1-29(20-5-3-2-4-6-20)24-16-18(15-23(28-24)25(27)30)17-7-11-21(12-8-17)31-22-13-9-19(26)10-14-22/h2-16H,1H3,(H2,27,30)
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n/an/a 360n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162415
PNG
(US9056832, 34 | US9611222, Example 34)
Show SMILES NC(=O)c1cc(cc(n1)-c1ccc(Oc2ccc(c(c2)C#N)C(F)(F)F)cc1)[C@@H](O)CO
Show InChI InChI=1S/C22H16F3N3O4/c23-22(24,25)17-6-5-16(7-14(17)10-26)32-15-3-1-12(2-4-15)18-8-13(20(30)11-29)9-19(28-18)21(27)31/h1-9,20,29-30H,11H2,(H2,27,31)/t20-/m0/s1
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n/an/a 380n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162416
PNG
(US9056832, 35 | US9611222, Example 35)
Show SMILES NC(=O)c1cc(cc(n1)-c1ccc(Oc2ccc(cc2C(F)(F)F)C#N)cc1)[C@H](O)CO
Show InChI InChI=1S/C22H16F3N3O4/c23-22(24,25)16-7-12(10-26)1-6-20(16)32-15-4-2-13(3-5-15)17-8-14(19(30)11-29)9-18(28-17)21(27)31/h1-9,19,29-30H,11H2,(H2,27,31)/t19-/m1/s1
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n/an/a 400n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162488
PNG
(US9056832, 107 | US9611222, Example 107)
Show SMILES Cc1cc(cc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)C(=O)NCCN1CCCCC1
Show InChI InChI=1S/C26H28FN3O2/c1-19-17-21(26(31)28-13-16-30-14-3-2-4-15-30)18-25(29-19)20-5-9-23(10-6-20)32-24-11-7-22(27)8-12-24/h5-12,17-18H,2-4,13-16H2,1H3,(H,28,31)
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Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162460
PNG
(US9056832, 79 | US9611222, Example 79)
Show SMILES OCc1cc(nc(c1)-c1ccc(Oc2ccc(F)cc2)cc1)C(=O)NCCN1CCCCC1
Show InChI InChI=1S/C26H28FN3O3/c27-21-6-10-23(11-7-21)33-22-8-4-20(5-9-22)24-16-19(18-31)17-25(29-24)26(32)28-12-15-30-13-2-1-3-14-30/h4-11,16-17,31H,1-3,12-15,18H2,(H,28,32)
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n/an/a 410n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162418
PNG
(US9056832, 37 | US9611222, Example 37)
Show SMILES NC(=O)c1cc(cc(n1)-c1ccc(Oc2ccc(cc2)C#N)cc1)[C@H](O)CO
Show InChI InChI=1S/C21H17N3O4/c22-11-13-1-5-16(6-2-13)28-17-7-3-14(4-8-17)18-9-15(20(26)12-25)10-19(24-18)21(23)27/h1-10,20,25-26H,12H2,(H2,23,27)/t20-/m1/s1
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n/an/a 440n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162531
PNG
(US9056832, 150 | US9611222, Example 150)
Show SMILES NC(=O)c1cc(cc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)N(CCc1nn[nH]n1)c1ccccc1
Show InChI InChI=1S/C27H22FN7O2/c28-19-8-12-23(13-9-19)37-22-10-6-18(7-11-22)24-16-21(17-25(30-24)27(29)36)35(20-4-2-1-3-5-20)15-14-26-31-33-34-32-26/h1-13,16-17H,14-15H2,(H2,29,36)(H,31,32,33,34)
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n/an/a 460n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162389
PNG
(US9056832, 8 | US9611222, Example 8)
Show SMILES OCC(O)c1cccc(n1)-c1ccc(Oc2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C20H16N2O3/c21-12-14-4-8-16(9-5-14)25-17-10-6-15(7-11-17)18-2-1-3-19(22-18)20(24)13-23/h1-11,20,23-24H,13H2
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n/an/a 470n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162427
PNG
(US9056832, 46 | US9611222, Example 46)
Show SMILES NC(=O)c1cc(NCc2ccncc2)cc(n1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C24H19FN4O2/c25-18-3-7-21(8-4-18)31-20-5-1-17(2-6-20)22-13-19(14-23(29-22)24(26)30)28-15-16-9-11-27-12-10-16/h1-14H,15H2,(H2,26,30)(H,28,29)
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n/an/a 480n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162541
PNG
(US9056832, 160 | US9611222, Example 160)
Show SMILES NC(=O)c1cc(cc(n1)[C@H](O)CO)-c1ccc(cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H17FN2O3/c21-16-7-5-13(6-8-16)12-1-3-14(4-2-12)15-9-17(19(25)11-24)23-18(10-15)20(22)26/h1-10,19,24-25H,11H2,(H2,22,26)/t19-/m1/s1
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n/an/a 490n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162545
PNG
(US9056832, 164 | US9611222, Example 164)
Show SMILES NC(=O)c1cc(cc(n1)-c1ccc(Oc2cccc(OC(F)(F)F)c2)cc1)[C@@H](O)CO
Show InChI InChI=1S/C21H17F3N2O5/c22-21(23,24)31-16-3-1-2-15(10-16)30-14-6-4-12(5-7-14)17-8-13(19(28)11-27)9-18(26-17)20(25)29/h1-10,19,27-28H,11H2,(H2,25,29)/t19-/m0/s1
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n/an/a 490n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162390
PNG
(US9056832, 9 | US9611222, Example 9)
Show SMILES OCC(O)c1cccc(n1)-c1ccc(Oc2ccc(cc2C(F)(F)F)C#N)cc1
Show InChI InChI=1S/C21H15F3N2O3/c22-21(23,24)16-10-13(11-25)4-9-20(16)29-15-7-5-14(6-8-15)17-2-1-3-18(26-17)19(28)12-27/h1-10,19,27-28H,12H2
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n/an/a 500n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162414
PNG
(US9056832, 33 | US9611222, Example 33)
Show SMILES NC(=O)c1cc(cc(n1)-c1ccc(Oc2ccc(c(c2)C#N)C(F)(F)F)cc1)[C@H](O)CO
Show InChI InChI=1S/C22H16F3N3O4/c23-22(24,25)17-6-5-16(7-14(17)10-26)32-15-3-1-12(2-4-15)18-8-13(20(30)11-29)9-19(28-18)21(27)31/h1-9,20,29-30H,11H2,(H2,27,31)/t20-/m1/s1
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n/an/a 500n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162391
PNG
(US9056832, 10 | US9611222, Example 10)
Show SMILES OCC(O)c1cccc(n1)-c1ccc(Oc2ccc(cc2C#N)C(F)(F)F)cc1
Show InChI InChI=1S/C21H15F3N2O3/c22-21(23,24)15-6-9-20(14(10-15)11-25)29-16-7-4-13(5-8-16)17-2-1-3-18(26-17)19(28)12-27/h1-10,19,27-28H,12H2
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n/an/a 520n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162486
PNG
(US9056832, 105 | US9611222, Example 105)
Show SMILES Fc1ccc(Oc2ccc(cc2)-c2cc(CNCCN3CCNC3=O)ccn2)cc1
Show InChI InChI=1S/C23H23FN4O2/c24-19-3-7-21(8-4-19)30-20-5-1-18(2-6-20)22-15-17(9-10-26-22)16-25-11-13-28-14-12-27-23(28)29/h1-10,15,25H,11-14,16H2,(H,27,29)
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n/an/a 530n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162457
PNG
(US9056832, 76 | US9611222, Example 76)
Show SMILES NC(=O)N1CCN(CC1)c1cc(nc(c1)-c1ccc(Oc2ccc(F)cc2)cc1)C(N)=O
Show InChI InChI=1S/C23H22FN5O3/c24-16-3-7-19(8-4-16)32-18-5-1-15(2-6-18)20-13-17(14-21(27-20)22(25)30)28-9-11-29(12-10-28)23(26)31/h1-8,13-14H,9-12H2,(H2,25,30)(H2,26,31)
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n/an/a 530n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162412
PNG
(US9056832, 31 | US9611222, Example 31)
Show SMILES NC(=O)c1cc(cc(n1)-c1ccc(Oc2ccc(C#N)c(c2)C(F)(F)F)cc1)[C@H](O)CO
Show InChI InChI=1S/C22H16F3N3O4/c23-22(24,25)17-9-16(6-3-13(17)10-26)32-15-4-1-12(2-5-15)18-7-14(20(30)11-29)8-19(28-18)21(27)31/h1-9,20,29-30H,11H2,(H2,27,31)/t20-/m1/s1
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n/an/a 610n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162491
PNG
(US9056832, 110 | US9611222, Example 110)
Show SMILES Fc1ccc(Oc2ccc(cc2)-c2cc(NCCCn3ccnc3)cc(n2)C#N)cc1
Show InChI InChI=1S/C24H20FN5O/c25-19-4-8-23(9-5-19)31-22-6-2-18(3-7-22)24-15-20(14-21(16-26)29-24)28-10-1-12-30-13-11-27-17-30/h2-9,11,13-15,17H,1,10,12H2,(H,28,29)
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n/an/a 620n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162544
PNG
(US9056832, 163 | US9611222, Example 163)
Show SMILES NC(=O)c1cc(cc(n1)-c1ccc(Oc2cccc(OC(F)(F)F)c2)cc1)[C@H](O)CO
Show InChI InChI=1S/C21H17F3N2O5/c22-21(23,24)31-16-3-1-2-15(10-16)30-14-6-4-12(5-7-14)17-8-13(19(28)11-27)9-18(26-17)20(25)29/h1-10,19,27-28H,11H2,(H2,25,29)/t19-/m1/s1
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n/an/a 630n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162495
PNG
(US9056832, 114 | US9611222, Example 114)
Show SMILES CN(c1ccccc1)c1cc(nc(c1)-c1ccc(Oc2ccc(F)cc2)cc1)C(O)=O
Show InChI InChI=1S/C25H19FN2O3/c1-28(19-5-3-2-4-6-19)20-15-23(27-24(16-20)25(29)30)17-7-11-21(12-8-17)31-22-13-9-18(26)10-14-22/h2-16H,1H3,(H,29,30)
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n/an/a 680n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162492
PNG
(US9056832, 111 | US9611222, Example 111)
Show SMILES OC[C@H](O)c1cc(NCCN2CCOCC2)cc(n1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C25H28FN3O4/c26-19-3-7-22(8-4-19)33-21-5-1-18(2-6-21)23-15-20(16-24(28-23)25(31)17-30)27-9-10-29-11-13-32-14-12-29/h1-8,15-16,25,30-31H,9-14,17H2,(H,27,28)/t25-/m0/s1
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n/an/a 710n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162548
PNG
(US9056832, 167 | US9611222, Example 167)
Show SMILES C[C@H](Nc1cc(nc(c1)-c1ccc(Oc2ccc(F)cc2)cc1)C(N)=O)C(N)=O
Show InChI InChI=1S/C21H19FN4O3/c1-12(20(23)27)25-15-10-18(26-19(11-15)21(24)28)13-2-6-16(7-3-13)29-17-8-4-14(22)5-9-17/h2-12H,1H3,(H2,23,27)(H2,24,28)(H,25,26)/t12-/m0/s1
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n/an/a 730n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162453
PNG
(US9056832, 72 | US9611222, Example 72)
Show SMILES NC(=O)CN(CCN1CCNC1=O)Cc1cccc(n1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C25H26FN5O3/c26-19-6-10-22(11-7-19)34-21-8-4-18(5-9-21)23-3-1-2-20(29-23)16-30(17-24(27)32)14-15-31-13-12-28-25(31)33/h1-11H,12-17H2,(H2,27,32)(H,28,33)
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n/an/a 760n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162506
PNG
(US9056832, 125 | US9611222, Example 125)
Show SMILES OCC(CO)NC(=O)c1cc(cc(Cl)n1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C21H18ClFN2O4/c22-20-10-14(9-19(25-20)21(28)24-16(11-26)12-27)13-1-5-17(6-2-13)29-18-7-3-15(23)4-8-18/h1-10,16,26-27H,11-12H2,(H,24,28)
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n/an/a 770n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162392
PNG
(US9056832, 11 | US9611222, Example 11)
Show SMILES OC[C@H](O)c1cccc(n1)-c1ccc(Oc2ccc(cc2C(F)(F)F)C#N)cc1
Show InChI InChI=1S/C21H15F3N2O3/c22-21(23,24)16-10-13(11-25)4-9-20(16)29-15-7-5-14(6-8-15)17-2-1-3-18(26-17)19(28)12-27/h1-10,19,27-28H,12H2/t19-/m0/s1
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n/an/a 820n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162438
PNG
(US9056832, 57 | US9611222, Example 57)
Show SMILES NC(=O)c1cc(NCC2CCNCC2)cc(n1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C24H25FN4O2/c25-18-3-7-21(8-4-18)31-20-5-1-17(2-6-20)22-13-19(14-23(29-22)24(26)30)28-15-16-9-11-27-12-10-16/h1-8,13-14,16,27H,9-12,15H2,(H2,26,30)(H,28,29)
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n/an/a 830n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162393
PNG
(US9056832, 12 | US9611222, Example 12)
Show SMILES OCC(O)c1cccc(n1)-c1ccc(Oc2ccc(c(c2)C#N)C(F)(F)F)cc1
Show InChI InChI=1S/C21H15F3N2O3/c22-21(23,24)17-9-8-16(10-14(17)11-25)29-15-6-4-13(5-7-15)18-2-1-3-19(26-18)20(28)12-27/h1-10,20,27-28H,12H2
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n/an/a 890n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162394
PNG
(US9056832, 13 | US9611222, Example 13)
Show SMILES OC[C@H](O)c1cccc(n1)-c1ccc(Oc2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C20H16N2O3/c21-12-14-4-8-16(9-5-14)25-17-10-6-15(7-11-17)18-2-1-3-19(22-18)20(24)13-23/h1-11,20,23-24H,13H2/t20-/m0/s1
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n/an/a 890n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162424
PNG
(US9056832, 43 | US9611222, Example 43)
Show SMILES CN(c1ccccc1)c1cc(nc(c1)-c1ccc(Oc2ccc(F)cc2)cc1)C(N)=O
Show InChI InChI=1S/C25H20FN3O2/c1-29(19-5-3-2-4-6-19)20-15-23(28-24(16-20)25(27)30)17-7-11-21(12-8-17)31-22-13-9-18(26)10-14-22/h2-16H,1H3,(H2,27,30)
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n/an/a 930n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162507
PNG
(US9056832, 126 | US9611222, Example 126)
Show SMILES OC(=O)c1cc(cc(n1)-n1ccc2c(cccc12)[N+]#[C-])-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C27H16FN3O3/c1-29-23-3-2-4-25-22(23)13-14-31(25)26-16-18(15-24(30-26)27(32)33)17-5-9-20(10-6-17)34-21-11-7-19(28)8-12-21/h2-16H,(H,32,33)
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n/an/a 1.05E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162535
PNG
(US9056832, 154 | US9611222, Example 154)
Show SMILES NC(=O)c1cc(cc(n1)-c1ccc(cc1)-c1ccc(F)cc1)[C@H](O)CO
Show InChI InChI=1S/C20H17FN2O3/c21-16-7-5-13(6-8-16)12-1-3-14(4-2-12)17-9-15(19(25)11-24)10-18(23-17)20(22)26/h1-10,19,24-25H,11H2,(H2,22,26)/t19-/m1/s1
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n/an/a 1.12E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162508
PNG
(US9056832, 127 | US9611222, Example 127)
Show SMILES NC(=O)c1cc(cc(n1)-c1ccc(Oc2ccc(C#N)c(c2)C(F)(F)F)cc1)[C@@H](O)CO
Show InChI InChI=1S/C22H16F3N3O4/c23-22(24,25)17-9-16(6-3-13(17)10-26)32-15-4-1-12(2-5-15)18-7-14(20(30)11-29)8-19(28-18)21(27)31/h1-9,20,29-30H,11H2,(H2,27,31)/t20-/m0/s1
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n/an/a 1.13E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162526
PNG
(US9056832, 145 | US9611222, Example 145)
Show SMILES NC(=O)c1cc(cc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)N(CCC(O)=O)c1ccccc1
Show InChI InChI=1S/C27H22FN3O4/c28-19-8-12-23(13-9-19)35-22-10-6-18(7-11-22)24-16-21(17-25(30-24)27(29)34)31(15-14-26(32)33)20-4-2-1-3-5-20/h1-13,16-17H,14-15H2,(H2,29,34)(H,32,33)
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n/an/a 1.25E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162423
PNG
(US9056832, 42 | US9611222, Example 42)
Show SMILES OC[C@@H](O)c1cc(nc(c1)-c1ccc(Oc2ccc(F)cc2)cc1)C(=O)NCCN1CCCCC1
Show InChI InChI=1S/C27H30FN3O4/c28-21-6-10-23(11-7-21)35-22-8-4-19(5-9-22)24-16-20(26(33)18-32)17-25(30-24)27(34)29-12-15-31-13-2-1-3-14-31/h4-11,16-17,26,32-33H,1-3,12-15,18H2,(H,29,34)/t26-/m1/s1
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n/an/a 1.25E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162509
PNG
(US9056832, 128 | US9611222, Example 128)
Show SMILES NC(=O)c1cc(cc(NC(CO)CO)n1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C21H20FN3O4/c22-15-3-7-18(8-4-15)29-17-5-1-13(2-6-17)14-9-19(21(23)28)25-20(10-14)24-16(11-26)12-27/h1-10,16,26-27H,11-12H2,(H2,23,28)(H,24,25)
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n/an/a 1.29E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162395
PNG
(US9056832, 14 | US9611222, Example 14)
Show SMILES OC[C@H](O)c1cccc(n1)-c1ccc(Oc2ccc(c(c2)C#N)C(F)(F)F)cc1
Show InChI InChI=1S/C21H15F3N2O3/c22-21(23,24)17-9-8-16(10-14(17)11-25)29-15-6-4-13(5-7-15)18-2-1-3-19(26-18)20(28)12-27/h1-10,20,27-28H,12H2/t20-/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162461
PNG
(US9056832, 80 | US9611222, Example 80)
Show SMILES NC(=N)N1CCN(CC1)c1cc(nc(c1)-c1ccc(Oc2ccc(F)cc2)cc1)C(N)=O
Show InChI InChI=1S/C23H23FN6O2/c24-16-3-7-19(8-4-16)32-18-5-1-15(2-6-18)20-13-17(14-21(28-20)22(25)31)29-9-11-30(12-10-29)23(26)27/h1-8,13-14H,9-12H2,(H2,25,31)(H3,26,27)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162542
PNG
(US9056832, 161 | US9611222, Example 161)
Show SMILES NC(=O)c1cc(cc(n1)-c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)[C@@H](O)CO
Show InChI InChI=1S/C21H17F3N2O5/c22-21(23,24)31-16-7-5-15(6-8-16)30-14-3-1-12(2-4-14)17-9-13(19(28)11-27)10-18(26-17)20(25)29/h1-10,19,27-28H,11H2,(H2,25,29)/t19-/m0/s1
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n/an/a 1.38E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162396
PNG
(US9056832, 15 | US9611222, Example 15)
Show SMILES OCC(O)c1cccc(n1)-c1ccc(Oc2ncc(cc2Cl)C(F)(F)F)cc1
Show InChI InChI=1S/C19H14ClF3N2O3/c20-14-8-12(19(21,22)23)9-24-18(14)28-13-6-4-11(5-7-13)15-2-1-3-16(25-15)17(27)10-26/h1-9,17,26-27H,10H2
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n/an/a 1.42E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162462
PNG
(US9056832, 81 | US9611222, Example 81)
Show SMILES NC(=O)c1cc(nc(c1)-c1ccc(Oc2ccc(F)cc2)cc1)C(=O)NCCN1CCCCC1
Show InChI InChI=1S/C26H27FN4O3/c27-20-6-10-22(11-7-20)34-21-8-4-18(5-9-21)23-16-19(25(28)32)17-24(30-23)26(33)29-12-15-31-13-2-1-3-14-31/h4-11,16-17H,1-3,12-15H2,(H2,28,32)(H,29,33)
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n/an/a 1.46E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162439
PNG
(US9056832, 58 | US9611222, Example 58)
Show SMILES NC(=O)c1cc(NCCN2CCNC2=O)cc(n1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C23H22FN5O3/c24-16-3-7-19(8-4-16)32-18-5-1-15(2-6-18)20-13-17(14-21(28-20)22(25)30)26-9-11-29-12-10-27-23(29)31/h1-8,13-14H,9-12H2,(H2,25,30)(H,26,28)(H,27,31)
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n/an/a 1.57E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162528
PNG
(US9056832, 147 | US9611222, Example 147)
Show SMILES CN(c1ccccc1)c1cc(nc(c1)-c1ccc(Oc2ccc(cc2)C#N)cc1)C(N)=O
Show InChI InChI=1S/C26H20N4O2/c1-30(20-5-3-2-4-6-20)21-15-24(29-25(16-21)26(28)31)19-9-13-23(14-10-19)32-22-11-7-18(17-27)8-12-22/h2-16H,1H3,(H2,28,31)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162397
PNG
(US9056832, 16 | US9611222, Example 16)
Show SMILES OCC(O)c1cccc(n1)-c1ccc(Oc2ccc(cn2)C(F)(F)F)cc1
Show InChI InChI=1S/C19H15F3N2O3/c20-19(21,22)13-6-9-18(23-10-13)27-14-7-4-12(5-8-14)15-2-1-3-16(24-15)17(26)11-25/h1-10,17,25-26H,11H2
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n/an/a 1.71E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162510
PNG
(US9056832, 129 | US9611222, Example 129)
Show SMILES C[C@H](O)[C@@H](O)c1cc(nc(c1)-c1ccc(Oc2ccc(F)cc2)cc1)C(N)=O
Show InChI InChI=1S/C21H19FN2O4/c1-12(25)20(26)14-10-18(24-19(11-14)21(23)27)13-2-6-16(7-3-13)28-17-8-4-15(22)5-9-17/h2-12,20,25-26H,1H3,(H2,23,27)/t12-,20+/m0/s1
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n/an/a 1.74E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162533
PNG
(US9056832, 152 | US9611222, Example 152)
Show SMILES OC(=O)c1cc(cc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)N(CCc1nn[nH]n1)c1ccccc1
Show InChI InChI=1S/C27H21FN6O3/c28-19-8-12-23(13-9-19)37-22-10-6-18(7-11-22)24-16-21(17-25(29-24)27(35)36)34(20-4-2-1-3-5-20)15-14-26-30-32-33-31-26/h1-13,16-17H,14-15H2,(H,35,36)(H,30,31,32,33)
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n/an/a 1.87E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162463
PNG
(US9056832, 82 | US9611222, Example 82)
Show SMILES CC(C)NC(=O)N1CCN(CC1)c1cc(nc(c1)-c1ccc(Oc2ccc(F)cc2)cc1)C#N
Show InChI InChI=1S/C26H26FN5O2/c1-18(2)29-26(33)32-13-11-31(12-14-32)22-15-21(17-28)30-25(16-22)19-3-7-23(8-4-19)34-24-9-5-20(27)6-10-24/h3-10,15-16,18H,11-14H2,1-2H3,(H,29,33)
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n/an/a 1.94E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162464
PNG
(US9056832, 83 | US9611222, Example 83)
Show SMILES NC(=N)N1CCN(CC1)c1cc(nc(c1)-c1ccc(Oc2ccc(F)cc2)cc1)C#N
Show InChI InChI=1S/C23H21FN6O/c24-17-3-7-21(8-4-17)31-20-5-1-16(2-6-20)22-14-19(13-18(15-25)28-22)29-9-11-30(12-10-29)23(26)27/h1-8,13-14H,9-12H2,(H3,26,27)
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n/an/a 1.95E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162546
PNG
(US9056832, 165 | US9611222, Example 165)
Show SMILES C[C@H](Nc1cc(nc(c1)-c1ccc(Oc2ccc(F)cc2)cc1)C#N)C(N)=O
Show InChI InChI=1S/C21H17FN4O2/c1-13(21(24)27)25-16-10-17(12-23)26-20(11-16)14-2-6-18(7-3-14)28-19-8-4-15(22)5-9-19/h2-11,13H,1H3,(H2,24,27)(H,25,26)/t13-/m0/s1
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n/an/a 1.97E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162487
PNG
(US9056832, 106 | US9611222, Example 106)
Show SMILES Fc1ccc(Oc2ccc(cc2)-c2cc(CNCCN3CCNC3=O)cc(n2)C#N)cc1
Show InChI InChI=1S/C24H22FN5O2/c25-19-3-7-22(8-4-19)32-21-5-1-18(2-6-21)23-14-17(13-20(15-26)29-23)16-27-9-11-30-12-10-28-24(30)31/h1-8,13-14,27H,9-12,16H2,(H,28,31)
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n/an/a 2.01E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162493
PNG
(US9056832, 112 | US9611222, Example 112)
Show SMILES OC[C@@H](O)c1cc(nc(c1)-c1ccc(Oc2ccc(F)cc2)cc1)C#N
Show InChI InChI=1S/C20H15FN2O3/c21-15-3-7-18(8-4-15)26-17-5-1-13(2-6-17)19-10-14(20(25)12-24)9-16(11-22)23-19/h1-10,20,24-25H,12H2/t20-/m1/s1
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n/an/a 2.12E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162534
PNG
(US9056832, 153 | US9611222, Example 153)
Show SMILES OC(=O)c1cc(cc(n1)N(CCc1nn[nH]n1)c1ccccc1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C27H21FN6O3/c28-20-8-12-23(13-9-20)37-22-10-6-18(7-11-22)19-16-24(27(35)36)29-26(17-19)34(21-4-2-1-3-5-21)15-14-25-30-32-33-31-25/h1-13,16-17H,14-15H2,(H,35,36)(H,30,31,32,33)
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n/an/a 2.13E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162475
PNG
(US9056832, 94 | US9611222, Example 94)
Show SMILES OC(=O)c1cc(cc(n1)N(CCC#N)c1ccccc1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C27H20FN3O3/c28-21-9-13-24(14-10-21)34-23-11-7-19(8-12-23)20-17-25(27(32)33)30-26(18-20)31(16-4-15-29)22-5-2-1-3-6-22/h1-3,5-14,17-18H,4,16H2,(H,32,33)
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n/an/a 2.17E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162440
PNG
(US9056832, 59 | US9611222, Example 59)
Show SMILES NC(=O)c1cc(cc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)N1CCC(CC1)C(O)=O
Show InChI InChI=1S/C24H22FN3O4/c25-17-3-7-20(8-4-17)32-19-5-1-15(2-6-19)21-13-18(14-22(27-21)23(26)29)28-11-9-16(10-12-28)24(30)31/h1-8,13-14,16H,9-12H2,(H2,26,29)(H,30,31)
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n/an/a 2.28E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162500
PNG
(US9056832, 119 | US9611222, Example 119)
Show SMILES CN(c1ccccc1)c1cc(cc(n1)C(O)=O)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C25H19FN2O3/c1-28(20-5-3-2-4-6-20)24-16-18(15-23(27-24)25(29)30)17-7-11-21(12-8-17)31-22-13-9-19(26)10-14-22/h2-16H,1H3,(H,29,30)
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n/an/a 2.46E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162511
PNG
(US9056832, 130 | US9611222, Example 130)
Show SMILES OC(=O)c1ccc2ccn(-c3cc(nc(c3)-c3ccc(Oc4ccc(F)cc4)cc3)C(O)=O)c2c1
Show InChI InChI=1S/C27H17FN2O5/c28-19-5-9-22(10-6-19)35-21-7-3-16(4-8-21)23-14-20(15-24(29-23)27(33)34)30-12-11-17-1-2-18(26(31)32)13-25(17)30/h1-15H,(H,31,32)(H,33,34)
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n/an/a 2.47E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162425
PNG
(US9056832, 44 | US9611222, Example 118)
Show SMILES NC(=O)c1cc(cc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)N(CCC#N)c1ccccc1
Show InChI InChI=1S/C27H21FN4O2/c28-20-9-13-24(14-10-20)34-23-11-7-19(8-12-23)25-17-22(18-26(31-25)27(30)33)32(16-4-15-29)21-5-2-1-3-6-21/h1-3,5-14,17-18H,4,16H2,(H2,30,33)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162505
PNG
(US9056832, 124 | US9611222, Example 124)
Show SMILES OC[C@@H](O)c1cccc(n1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C19H17FN2O4S/c20-14-6-8-15(9-7-14)22-27(25,26)16-10-4-13(5-11-16)17-2-1-3-18(21-17)19(24)12-23/h1-11,19,22-24H,12H2/t19-/m1/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162410
PNG
(US9056832, 29 | US9611222, Example 29)
Show SMILES OCC(O)c1cccc(n1)-c1ccc(Oc2ncccc2C(F)(F)F)cc1
Show InChI InChI=1S/C19H15F3N2O3/c20-19(21,22)14-3-2-10-23-18(14)27-13-8-6-12(7-9-13)15-4-1-5-16(24-15)17(26)11-25/h1-10,17,25-26H,11H2
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n/an/a 2.65E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162485
PNG
(US9056832, 104 | US9611222, Example 104)
Show SMILES NC(=O)c1cc(CN2CCN(CC(O)=O)CC2)cc(n1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C25H25FN4O4/c26-19-3-7-21(8-4-19)34-20-5-1-18(2-6-20)22-13-17(14-23(28-22)25(27)33)15-29-9-11-30(12-10-29)16-24(31)32/h1-8,13-14H,9-12,15-16H2,(H2,27,33)(H,31,32)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162497
PNG
(US9056832, 116 | US9611222, Example 116)
Show SMILES CN(c1ccc(cc1)C(O)=O)c1cc(cc(n1)C(N)=O)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C26H20FN3O4/c1-30(20-8-2-17(3-9-20)26(32)33)24-15-18(14-23(29-24)25(28)31)16-4-10-21(11-5-16)34-22-12-6-19(27)7-13-22/h2-15H,1H3,(H2,28,31)(H,32,33)
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n/an/a 2.71E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162398
PNG
(US9056832, 17 | US9611222, Example 17)
Show SMILES OCC(O)c1cccc(n1)-c1ccc(Oc2ccc(nc2)C(F)(F)F)cc1
Show InChI InChI=1S/C19H15F3N2O3/c20-19(21,22)18-9-8-14(10-23-18)27-13-6-4-12(5-7-13)15-2-1-3-16(24-15)17(26)11-25/h1-10,17,25-26H,11H2
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n/an/a 2.77E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162512
PNG
(US9056832, 131 | US9611222, Example 131)
Show SMILES C[C@@H](O)[C@H](O)c1cc(nc(c1)-c1ccc(Oc2ccc(F)cc2)cc1)C(N)=O
Show InChI InChI=1S/C21H19FN2O4/c1-12(25)20(26)14-10-18(24-19(11-14)21(23)27)13-2-6-16(7-3-13)28-17-8-4-15(22)5-9-17/h2-12,20,25-26H,1H3,(H2,23,27)/t12-,20+/m1/s1
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n/an/a 2.78E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162536
PNG
(US9056832, 155 | US9611222, Example 155)
Show SMILES NC(=O)c1cc(cc(n1)-c1ccc(cc1)-c1ccc(F)cc1)[C@@H](O)CO
Show InChI InChI=1S/C20H17FN2O3/c21-16-7-5-13(6-8-16)12-1-3-14(4-2-12)17-9-15(19(25)11-24)10-18(23-17)20(22)26/h1-10,19,24-25H,11H2,(H2,22,26)/t19-/m0/s1
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n/an/a 2.78E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162513
PNG
(US9056832, 132 | US9611222, Example 132)
Show SMILES NC(=O)c1cc(cc(n1)-c1ccc(Oc2ccc(cn2)C(F)(F)F)cc1)[C@@H](O)CO
Show InChI InChI=1S/C20H16F3N3O4/c21-20(22,23)13-3-6-18(25-9-13)30-14-4-1-11(2-5-14)15-7-12(17(28)10-27)8-16(26-15)19(24)29/h1-9,17,27-28H,10H2,(H2,24,29)/t17-/m0/s1
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n/an/a 2.78E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162399
PNG
(US9056832, 18 | US9611222, Example 18)
Show SMILES OC[C@@H](O)c1cccc(n1)-c1ccc(Oc2ccc(c(c2)C#N)C(F)(F)F)cc1
Show InChI InChI=1S/C21H15F3N2O3/c22-21(23,24)17-9-8-16(10-14(17)11-25)29-15-6-4-13(5-7-15)18-2-1-3-19(26-18)20(28)12-27/h1-10,20,27-28H,12H2/t20-/m1/s1
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n/an/a 2.80E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162401
PNG
(US9056832, 20 | US9611222, Example 20)
Show SMILES CC(=O)c1ccc(Oc2ccc(cc2)-c2cccc(n2)C(O)CO)c(c1)C(F)(F)F
Show InChI InChI=1S/C22H18F3NO4/c1-13(28)15-7-10-21(17(11-15)22(23,24)25)30-16-8-5-14(6-9-16)18-3-2-4-19(26-18)20(29)12-27/h2-11,20,27,29H,12H2,1H3
PDB

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n/an/a 2.95E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162402
PNG
(US9056832, 21 | US9611222, Example 21)
Show SMILES OC[C@H](O)c1cc(cc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)N1CCNCC1
Show InChI InChI=1S/C23H24FN3O3/c24-17-3-7-20(8-4-17)30-19-5-1-16(2-6-19)21-13-18(27-11-9-25-10-12-27)14-22(26-21)23(29)15-28/h1-8,13-14,23,25,28-29H,9-12,15H2/t23-/m0/s1
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n/an/a 2.97E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162514
PNG
(US9056832, 133 | US9611222, Example 133)
Show SMILES NC(=O)c1cc(NC(CO)CO)cc(n1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C21H20FN3O4/c22-14-3-7-18(8-4-14)29-17-5-1-13(2-6-17)19-9-15(24-16(11-26)12-27)10-20(25-19)21(23)28/h1-10,16,26-27H,11-12H2,(H2,23,28)(H,24,25)
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n/an/a 3.08E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162425
PNG
(US9056832, 44 | US9611222, Example 118)
Show SMILES NC(=O)c1cc(cc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)N(CCC#N)c1ccccc1
Show InChI InChI=1S/C27H21FN4O2/c28-20-9-13-24(14-10-20)34-23-11-7-19(8-12-23)25-17-22(18-26(31-25)27(30)33)32(16-4-15-29)21-5-2-1-3-6-21/h1-3,5-14,17-18H,4,16H2,(H2,30,33)
PDB

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n/an/a 3.29E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162403
PNG
(US9056832, 22 | US9611222, Example 22)
Show SMILES OC[C@@H](O)c1cccc(n1)-c1ccc(Oc2ccc(cc2C(F)(F)F)C#N)cc1
Show InChI InChI=1S/C21H15F3N2O3/c22-21(23,24)16-10-13(11-25)4-9-20(16)29-15-7-5-14(6-8-15)17-2-1-3-18(26-17)19(28)12-27/h1-10,19,27-28H,12H2/t19-/m1/s1
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n/an/a 3.33E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162490
PNG
(US9056832, 109 | US9611222, Example 109)
Show SMILES NC(=O)CN1CCN(CC1)c1cc(Cl)nc(c1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C23H22ClFN4O2/c24-22-14-18(29-11-9-28(10-12-29)15-23(26)30)13-21(27-22)16-1-5-19(6-2-16)31-20-7-3-17(25)4-8-20/h1-8,13-14H,9-12,15H2,(H2,26,30)
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n/an/a 3.77E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM314270
PNG
(US9611222, Example 92)
Show SMILES NC(=O)c1cc(cc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)N(CC(O)=O)c1ccccc1
Show InChI InChI=1S/C26H20FN3O4/c27-18-8-12-22(13-9-18)34-21-10-6-17(7-11-21)23-14-20(15-24(29-23)26(28)33)30(16-25(31)32)19-4-2-1-3-5-19/h1-15H,16H2,(H2,28,33)(H,31,32)
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US Patent
n/an/a 3.83E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162515
PNG
(US9056832, 134 | US9611222, Example 134)
Show SMILES NC(=O)c1cc(C[C@@H](O)CO)cc(n1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C21H19FN2O4/c22-15-3-7-18(8-4-15)28-17-5-1-14(2-6-17)19-10-13(9-16(26)12-25)11-20(24-19)21(23)27/h1-8,10-11,16,25-26H,9,12H2,(H2,23,27)/t16-/m1/s1
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n/an/a 3.90E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162465
PNG
(US9056832, 84 | US9611222, Example 84)
Show SMILES NC(=O)c1cc(NC(=O)Nc2ccccc2)cc(n1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C25H19FN4O3/c26-17-8-12-21(13-9-17)33-20-10-6-16(7-11-20)22-14-19(15-23(30-22)24(27)31)29-25(32)28-18-4-2-1-3-5-18/h1-15H,(H2,27,31)(H2,28,29,30,32)
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n/an/a 4.11E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162458
PNG
(US9056832, 77 | US9611222, Example 77)
Show SMILES NC(=O)c1cc(cc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)N1CCN(CC1)C1=NCCCN1
Show InChI InChI=1S/C26H27FN6O2/c27-19-4-8-22(9-5-19)35-21-6-2-18(3-7-21)23-16-20(17-24(31-23)25(28)34)32-12-14-33(15-13-32)26-29-10-1-11-30-26/h2-9,16-17H,1,10-15H2,(H2,28,34)(H,29,30)
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n/an/a 4.27E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162547
PNG
(US9056832, 166 | US9611222, Example 166)
Show SMILES C[C@H](Nc1cc(cc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)C#N)C(N)=O
Show InChI InChI=1S/C21H17FN4O2/c1-13(21(24)27)25-20-11-14(12-23)10-19(26-20)15-2-6-17(7-3-15)28-18-8-4-16(22)5-9-18/h2-11,13H,1H3,(H2,24,27)(H,25,26)/t13-/m0/s1
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n/an/a 4.32E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162404
PNG
(US9056832, 23 | US9611222, Example 23)
Show SMILES OC[C@H](O)c1cccc(n1)-c1ccc(Oc2ccc(cn2)C(F)(F)F)cc1
Show InChI InChI=1S/C19H15F3N2O3/c20-19(21,22)13-6-9-18(23-10-13)27-14-7-4-12(5-8-14)15-2-1-3-16(24-15)17(26)11-25/h1-10,17,25-26H,11H2/t17-/m0/s1
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n/an/a 4.89E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162523
PNG
(US9056832, 142 | US9611222, Example 142)
Show SMILES NC(=O)c1cc(cc(n1)-c1cccc(Oc2ccc(F)cc2)c1)[C@@H](O)CO
Show InChI InChI=1S/C20H17FN2O4/c21-14-4-6-15(7-5-14)27-16-3-1-2-12(8-16)17-9-13(19(25)11-24)10-18(23-17)20(22)26/h1-10,19,24-25H,11H2,(H2,22,26)/t19-/m0/s1
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n/an/a 5.30E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162502
PNG
(US9056832, 121 | US9611222, Example 121)
Show SMILES OC(=O)CN(c1ccccc1)c1cc(cc(n1)C(O)=O)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C26H19FN2O5/c27-19-8-12-22(13-9-19)34-21-10-6-17(7-11-21)18-14-23(26(32)33)28-24(15-18)29(16-25(30)31)20-4-2-1-3-5-20/h1-15H,16H2,(H,30,31)(H,32,33)
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n/an/a 6.24E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162405
PNG
(US9056832, 24 | US9611222, Example 24)
Show SMILES OC[C@@H](O)c1cccc(n1)-c1ccc(Oc2ccc(cn2)C(F)(F)F)cc1
Show InChI InChI=1S/C19H15F3N2O3/c20-19(21,22)13-6-9-18(23-10-13)27-14-7-4-12(5-8-14)15-2-1-3-16(24-15)17(26)11-25/h1-10,17,25-26H,11H2/t17-/m1/s1
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n/an/a 6.49E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162466
PNG
(US9056832, 85 | US9611222, Example 85)
Show SMILES OC(=O)c1cc(nc(c1)-c1ccc(Oc2ccc(F)cc2)cc1)C(=O)NCCN1CCCCC1
Show InChI InChI=1S/C26H26FN3O4/c27-20-6-10-22(11-7-20)34-21-8-4-18(5-9-21)23-16-19(26(32)33)17-24(29-23)25(31)28-12-15-30-13-2-1-3-14-30/h4-11,16-17H,1-3,12-15H2,(H,28,31)(H,32,33)
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n/an/a 6.59E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162470
PNG
(US9056832, 89 | US9611222, Example 89)
Show SMILES NC(=O)c1cc(nc(c1)-c1ccc(Oc2ccc(F)cc2)cc1)[C@@H](O)CO
Show InChI InChI=1S/C20H17FN2O4/c21-14-3-7-16(8-4-14)27-15-5-1-12(2-6-15)17-9-13(20(22)26)10-18(23-17)19(25)11-24/h1-10,19,24-25H,11H2,(H2,22,26)/t19-/m0/s1
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n/an/a 7.13E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162516
PNG
(US9056832, 135 | US9611222, Example 135)
Show SMILES NC(=O)c1cc(C[C@H](O)CO)cc(n1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C21H19FN2O4/c22-15-3-7-18(8-4-15)28-17-5-1-14(2-6-17)19-10-13(9-16(26)12-25)11-20(24-19)21(23)27/h1-8,10-11,16,25-26H,9,12H2,(H2,23,27)/t16-/m0/s1
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n/an/a 7.26E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162467
PNG
(US9056832, 86 | US9611222, Example 86)
Show SMILES Fc1ccc(Oc2ccc(cc2)-c2cc(cc(n2)C(=O)NCCN2CCCCC2)-c2nnn[nH]2)cc1
Show InChI InChI=1S/C26H26FN7O2/c27-20-6-10-22(11-7-20)36-21-8-4-18(5-9-21)23-16-19(25-30-32-33-31-25)17-24(29-23)26(35)28-12-15-34-13-2-1-3-14-34/h4-11,16-17H,1-3,12-15H2,(H,28,35)(H,30,31,32,33)
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n/an/a 9.21E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162501
PNG
(US9056832, 120 | US9611222, Example 120)
Show SMILES CN(c1ccc(cc1)C(O)=O)c1cc(cc(n1)C(O)=O)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C26H19FN2O5/c1-29(20-8-2-17(3-9-20)25(30)31)24-15-18(14-23(28-24)26(32)33)16-4-10-21(11-5-16)34-22-12-6-19(27)7-13-22/h2-15H,1H3,(H,30,31)(H,32,33)
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n/an/a 9.30E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162530
PNG
(US9056832, 149 | US9611222, Example 149)
Show SMILES CN(c1ccccc1)c1cc(nc(c1)-c1ccc(Oc2ccc(cc2)C(F)(F)F)cc1)C(N)=O
Show InChI InChI=1S/C26H20F3N3O2/c1-32(19-5-3-2-4-6-19)20-15-23(31-24(16-20)25(30)33)17-7-11-21(12-8-17)34-22-13-9-18(10-14-22)26(27,28)29/h2-16H,1H3,(H2,30,33)
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n/an/a 1.50E+4n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162459
PNG
(US9056832, 78 | US9611222, Example 78)
Show SMILES Fc1ccc(Oc2ccc(cc2)-c2cc(cc(n2)C(=O)N2CCNCC2)N2CCNCC2)cc1
Show InChI InChI=1S/C26H28FN5O2/c27-20-3-7-23(8-4-20)34-22-5-1-19(2-6-22)24-17-21(31-13-9-28-10-14-31)18-25(30-24)26(33)32-15-11-29-12-16-32/h1-8,17-18,28-29H,9-16H2
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n/an/a 1.50E+4n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162517
PNG
(US9056832, 136 | US9611222, Example 136)
Show SMILES NC(=O)c1cc(O)cc(n1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C18H13FN2O3/c19-12-3-7-15(8-4-12)24-14-5-1-11(2-6-14)16-9-13(22)10-17(21-16)18(20)23/h1-10H,(H2,20,23)(H,21,22)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162408
PNG
(US9056832, 27 | US9611222, Example 27)
Show SMILES Cc1ccc(Oc2ccc(cc2)-c2cccc(n2)C(O)CO)cn1
Show InChI InChI=1S/C19H18N2O3/c1-13-5-8-16(11-20-13)24-15-9-6-14(7-10-15)17-3-2-4-18(21-17)19(23)12-22/h2-11,19,22-23H,12H2,1H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162472
PNG
(US9056832, 91 | US9611222, Example 91)
Show SMILES CN(c1ccc(cc1)C(O)=O)c1cc(nc(c1)-c1ccc(Oc2ccc(F)cc2)cc1)C(N)=O
Show InChI InChI=1S/C26H20FN3O4/c1-30(19-8-2-17(3-9-19)26(32)33)20-14-23(29-24(15-20)25(28)31)16-4-10-21(11-5-16)34-22-12-6-18(27)7-13-22/h2-15H,1H3,(H2,28,31)(H,32,33)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162498
PNG
(US9056832, 117 | US9611222, Example 117)
Show SMILES CN(c1ccc(cc1)C(O)=O)c1cc(nc(c1)-c1ccc(Oc2ccc(F)cc2)cc1)C(O)=O
Show InChI InChI=1S/C26H19FN2O5/c1-29(19-8-2-17(3-9-19)25(30)31)20-14-23(28-24(15-20)26(32)33)16-4-10-21(11-5-16)34-22-12-6-18(27)7-13-22/h2-15H,1H3,(H,30,31)(H,32,33)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162413
PNG
(US9056832, 32 | US9611222, Example 32)
Show SMILES NC(=O)c1ccc(Oc2ccc(cc2)-c2cc(cc(n2)C(N)=O)[C@H](O)CO)c(c1)C(F)(F)F
Show InChI InChI=1S/C22H18F3N3O5/c23-22(24,25)15-7-12(20(26)31)3-6-19(15)33-14-4-1-11(2-5-14)16-8-13(18(30)10-29)9-17(28-16)21(27)32/h1-9,18,29-30H,10H2,(H2,26,31)(H2,27,32)/t18-/m1/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162518
PNG
(US9056832, 137 | US9611222, Example 137)
Show SMILES OC[C@@H](O)c1cccc(n1)-c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C19H17FN2O4S/c20-14-6-10-16(11-7-14)27(25,26)22-15-8-4-13(5-9-15)17-2-1-3-18(21-17)19(24)12-23/h1-11,19,22-24H,12H2/t19-/m1/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162524
PNG
(US9056832, 143 | US9611222, Example 143)
Show SMILES NC(=O)c1cc(cc(n1)N(CC(O)=O)c1ccccc1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C26H20FN3O4/c27-19-8-12-22(13-9-19)34-21-10-6-17(7-11-21)18-14-23(26(28)33)29-24(15-18)30(16-25(31)32)20-4-2-1-3-5-20/h1-15H,16H2,(H2,28,33)(H,31,32)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162468
PNG
(US9056832, 87 | US9611222, Example 87)
Show SMILES NC(=O)c1cc(NC(=O)NCC(O)=O)cc(n1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C21H17FN4O5/c22-13-3-7-16(8-4-13)31-15-5-1-12(2-6-15)17-9-14(10-18(26-17)20(23)29)25-21(30)24-11-19(27)28/h1-10H,11H2,(H2,23,29)(H,27,28)(H2,24,25,26,30)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162525
PNG
(US9056832, 144 | US9611222, Example 144)
Show SMILES NC(=O)c1cc(cc(n1)N(CCC(O)=O)c1ccccc1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C27H22FN3O4/c28-20-8-12-23(13-9-20)35-22-10-6-18(7-11-22)19-16-24(27(29)34)30-25(17-19)31(15-14-26(32)33)21-4-2-1-3-5-21/h1-13,16-17H,14-15H2,(H2,29,34)(H,32,33)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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


(Homo sapiens (Human))
BDBM162474
PNG
(US9056832, 93 | US9611222, Example 93)
Show SMILES OC(=O)c1cn(-c2cc(nc(c2)-c2ccc(Oc3ccc(F)cc3)cc2)C(O)=O)c2ccccc12
Show InChI InChI=1S/C27H17FN2O5/c28-17-7-11-20(12-8-17)35-19-9-5-16(6-10-19)23-13-18(14-24(29-23)27(33)34)30-15-22(26(31)32)21-3-1-2-4-25(21)30/h1-15H,(H,31,32)(H,33,34)
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n/an/a>2.00E+7n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)

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