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Patent code US9452986

Compile Data Set for Download or QSAR

Found 683 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
Voltage-gated sodium channel subunit alpha Nav1.8


(Homo sapiens (Human))
BDBM250758
PNG
(US9452986, 62)
Show SMILES C[C@@H]1CN(CCN1)C(=O)c1ccc2cc(Oc3ccc(nc3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C21H19F3N4O2/c1-13-12-28(9-8-25-13)20(29)18-5-2-14-10-15(3-6-17(14)27-18)30-16-4-7-19(26-11-16)21(22,23)24/h2-7,10-11,13,25H,8-9,12H2,1H3/t13-/m1/s1
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n/an/a 120n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Two days prior to the experiment, frozen HEK293 cells stably expressing recombinant human Nav1.8 (Essen, Ann Arbor, Mich.) were quickly thawed and pl...


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


(Homo sapiens (Human))
BDBM251142
PNG
(US9452986, 446)
Show SMILES CCN(CC)C(=O)CNC(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C22H21F3N4O3/c1-3-29(4-2)20(30)13-27-21(31)18-8-5-14-11-16(7-9-17(14)28-18)32-19-10-6-15(12-26-19)22(23,24)25/h5-12H,3-4,13H2,1-2H3,(H,27,31)
PDB

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n/an/a 166n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Two days prior to the experiment, frozen HEK293 cells stably expressing recombinant human Nav1.7 were quickly thawed and plated at 25,000 cells/well ...


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


(Homo sapiens (Human))
BDBM250871
PNG
(US9452986, 175)
Show SMILES FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)NCCN2CCCCC2)nc1
Show InChI InChI=1S/C23H23F3N4O2/c24-23(25,26)17-5-9-21(28-15-17)32-18-6-8-19-16(14-18)4-7-20(29-19)22(31)27-10-13-30-11-2-1-3-12-30/h4-9,14-15H,1-3,10-13H2,(H,27,31)
PDB

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AbbVie Inc.

US Patent


Assay Description
Two days prior to the experiment, frozen HEK293 cells stably expressing recombinant human Nav1.7 were quickly thawed and plated at 25,000 cells/well ...


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.8


(Homo sapiens (Human))
BDBM251208
PNG
(US9452986, 512)
Show SMILES FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)N[C@H]2CCNC(=O)C2)nc1
Show InChI InChI=1S/C21H17F3N4O3/c22-21(23,24)13-2-6-19(26-11-13)31-15-3-5-16-12(9-15)1-4-17(28-16)20(30)27-14-7-8-25-18(29)10-14/h1-6,9,11,14H,7-8,10H2,(H,25,29)(H,27,30)/t14-/m0/s1
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n/an/a 213n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Two days prior to the experiment, frozen HEK293 cells stably expressing recombinant human Nav1.8 (Essen, Ann Arbor, Mich.) were quickly thawed and pl...


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


(Homo sapiens (Human))
BDBM251010
PNG
(US9452986, 314)
Show SMILES FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)N2CCC(C2)N2CCC2)nc1
Show InChI InChI=1S/C23H21F3N4O2/c24-23(25,26)16-3-7-21(27-13-16)32-18-4-6-19-15(12-18)2-5-20(28-19)22(31)30-11-8-17(14-30)29-9-1-10-29/h2-7,12-13,17H,1,8-11,14H2
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AbbVie Inc.

US Patent


Assay Description
Two days prior to the experiment, frozen HEK293 cells stably expressing recombinant human Nav1.7 were quickly thawed and plated at 25,000 cells/well ...


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


(Homo sapiens (Human))
BDBM250796
PNG
(US9452986, 100)
Show SMILES O=C(NCCCN1CCCCC1)c1ccc2cc(Oc3ccc(cc3)C#N)ccc2n1
Show InChI InChI=1S/C25H26N4O2/c26-18-19-5-8-21(9-6-19)31-22-10-12-23-20(17-22)7-11-24(28-23)25(30)27-13-4-16-29-14-2-1-3-15-29/h5-12,17H,1-4,13-16H2,(H,27,30)
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AbbVie Inc.

US Patent


Assay Description
Two days prior to the experiment, frozen HEK293 cells stably expressing recombinant human Nav1.7 were quickly thawed and plated at 25,000 cells/well ...


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


(Homo sapiens (Human))
BDBM250778
PNG
(US9452986, 82)
Show SMILES O=C(NCCN1CCCCC1)c1ccc2cc(Oc3ccc(cc3)C#N)ccc2n1
Show InChI InChI=1S/C24H24N4O2/c25-17-18-4-7-20(8-5-18)30-21-9-11-22-19(16-21)6-10-23(27-22)24(29)26-12-15-28-13-2-1-3-14-28/h4-11,16H,1-3,12-15H2,(H,26,29)
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AbbVie Inc.

US Patent


Assay Description
Two days prior to the experiment, frozen HEK293 cells stably expressing recombinant human Nav1.7 were quickly thawed and plated at 25,000 cells/well ...


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


(Homo sapiens (Human))
BDBM250704
PNG
(US9452986, 8)
Show SMILES NC1CN(C1)C(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C19H15F3N4O2/c20-19(21,22)12-2-6-17(24-8-12)28-14-3-5-15-11(7-14)1-4-16(25-15)18(27)26-9-13(23)10-26/h1-8,13H,9-10,23H2
PDB

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AbbVie Inc.

US Patent


Assay Description
Two days prior to the experiment, frozen HEK293 cells stably expressing recombinant human Nav1.7 were quickly thawed and plated at 25,000 cells/well ...


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


(Homo sapiens (Human))
BDBM251289
PNG
(US9452986, 593)
Show SMILES COC[C@@H]1CN(CCN1)C(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C22H21F3N4O3/c1-31-13-16-12-29(9-8-26-16)21(30)19-5-2-14-10-17(4-6-18(14)28-19)32-20-7-3-15(11-27-20)22(23,24)25/h2-7,10-11,16,26H,8-9,12-13H2,1H3/t16-/m0/s1
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AbbVie Inc.

US Patent


Assay Description
Two days prior to the experiment, frozen HEK293 cells stably expressing recombinant human Nav1.7 were quickly thawed and plated at 25,000 cells/well ...


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


(Homo sapiens (Human))
BDBM250781
PNG
(US9452986, 85)
Show SMILES CN(C)CCCNC(=O)c1ccc2cc(Oc3ccc(cc3)C#N)ccc2n1
Show InChI InChI=1S/C22H22N4O2/c1-26(2)13-3-12-24-22(27)21-10-6-17-14-19(9-11-20(17)25-21)28-18-7-4-16(15-23)5-8-18/h4-11,14H,3,12-13H2,1-2H3,(H,24,27)
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AbbVie Inc.

US Patent


Assay Description
Two days prior to the experiment, frozen HEK293 cells stably expressing recombinant human Nav1.7 were quickly thawed and plated at 25,000 cells/well ...


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


(Homo sapiens (Human))
BDBM250926
PNG
(US9452986, 230)
Show SMILES FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)N[C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]23)nc1
Show InChI InChI=1S/C30H27F3N4O2/c31-30(32,33)22-8-13-28(34-15-22)39-23-9-12-25-20(14-23)6-11-27(35-25)29(38)36-26-10-7-21-17-37(18-24(21)26)16-19-4-2-1-3-5-19/h1-6,8-9,11-15,21,24,26H,7,10,16-18H2,(H,36,38)/t21-,24+,26+/m0/s1
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AbbVie Inc.

US Patent


Assay Description
Two days prior to the experiment, frozen HEK293 cells stably expressing recombinant human Nav1.7 were quickly thawed and plated at 25,000 cells/well ...


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


(Homo sapiens (Human))
BDBM250701
PNG
(US9452986, 5)
Show SMILES FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)N[C@@H]2CCS(=O)(=O)C2)nc1
Show InChI InChI=1S/C20H16F3N3O4S/c21-20(22,23)13-2-6-18(24-10-13)30-15-3-5-16-12(9-15)1-4-17(26-16)19(27)25-14-7-8-31(28,29)11-14/h1-6,9-10,14H,7-8,11H2,(H,25,27)/t14-/m1/s1
PDB

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AbbVie Inc.

US Patent


Assay Description
Two days prior to the experiment, frozen HEK293 cells stably expressing recombinant human Nav1.7 were quickly thawed and plated at 25,000 cells/well ...


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


(Homo sapiens (Human))
BDBM251141
PNG
(US9452986, 445)
Show SMILES FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)NCCC(=O)N2CCCC2)nc1
Show InChI InChI=1S/C23H21F3N4O3/c24-23(25,26)16-4-8-20(28-14-16)33-17-5-7-18-15(13-17)3-6-19(29-18)22(32)27-10-9-21(31)30-11-1-2-12-30/h3-8,13-14H,1-2,9-12H2,(H,27,32)
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AbbVie Inc.

US Patent


Assay Description
Two days prior to the experiment, frozen HEK293 cells stably expressing recombinant human Nav1.7 were quickly thawed and plated at 25,000 cells/well ...


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


(Homo sapiens (Human))
BDBM250736
PNG
(US9452986, 40)
Show SMILES FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)NC2CCNC(=O)C2)nc1
Show InChI InChI=1S/C21H17F3N4O3/c22-21(23,24)13-2-6-19(26-11-13)31-15-3-5-16-12(9-15)1-4-17(28-16)20(30)27-14-7-8-25-18(29)10-14/h1-6,9,11,14H,7-8,10H2,(H,25,29)(H,27,30)
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AbbVie Inc.

US Patent


Assay Description
Two days prior to the experiment, frozen HEK293 cells stably expressing recombinant human Nav1.7 were quickly thawed and plated at 25,000 cells/well ...


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


(Homo sapiens (Human))
BDBM251015
PNG
(US9452986, 319)
Show SMILES FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)N2CC[C@H](C2)N2CCCCC2)nc1
Show InChI InChI=1S/C25H25F3N4O2/c26-25(27,28)18-5-9-23(29-15-18)34-20-6-8-21-17(14-20)4-7-22(30-21)24(33)32-13-10-19(16-32)31-11-2-1-3-12-31/h4-9,14-15,19H,1-3,10-13,16H2/t19-/m1/s1
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AbbVie Inc.

US Patent


Assay Description
Two days prior to the experiment, frozen HEK293 cells stably expressing recombinant human Nav1.7 were quickly thawed and plated at 25,000 cells/well ...


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


(Homo sapiens (Human))
BDBM251196
PNG
(US9452986, 500)
Show SMILES Cc1ccccc1NC(=O)CCNC(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C26H21F3N4O3/c1-16-4-2-3-5-20(16)33-23(34)12-13-30-25(35)22-9-6-17-14-19(8-10-21(17)32-22)36-24-11-7-18(15-31-24)26(27,28)29/h2-11,14-15H,12-13H2,1H3,(H,30,35)(H,33,34)
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AbbVie Inc.

US Patent


Assay Description
Two days prior to the experiment, frozen HEK293 cells stably expressing recombinant human Nav1.7 were quickly thawed and plated at 25,000 cells/well ...


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


(Homo sapiens (Human))
BDBM250870
PNG
(US9452986, 174)
Show SMILES FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)NCCN2CCCC2)nc1
Show InChI InChI=1S/C22H21F3N4O2/c23-22(24,25)16-4-8-20(27-14-16)31-17-5-7-18-15(13-17)3-6-19(28-18)21(30)26-9-12-29-10-1-2-11-29/h3-8,13-14H,1-2,9-12H2,(H,26,30)
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AbbVie Inc.

US Patent


Assay Description
Two days prior to the experiment, frozen HEK293 cells stably expressing recombinant human Nav1.7 were quickly thawed and plated at 25,000 cells/well ...


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


(Homo sapiens (Human))
BDBM251270
PNG
(US9452986, 574)
Show SMILES FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)NC2CC(C2)N2CCOCC2)cn1
Show InChI InChI=1S/C24H23F3N4O3/c25-24(26,27)22-6-3-19(14-28-22)34-18-2-5-20-15(11-18)1-4-21(30-20)23(32)29-16-12-17(13-16)31-7-9-33-10-8-31/h1-6,11,14,16-17H,7-10,12-13H2,(H,29,32)
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AbbVie Inc.

US Patent


Assay Description
Two days prior to the experiment, frozen HEK293 cells stably expressing recombinant human Nav1.7 were quickly thawed and plated at 25,000 cells/well ...


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


(Homo sapiens (Human))
BDBM251280
PNG
(US9452986, 584)
Show SMILES F[C@@H]1CNCC[C@H]1NC(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C21H18F4N4O2/c22-15-11-26-8-7-17(15)29-20(30)18-4-1-12-9-14(3-5-16(12)28-18)31-19-6-2-13(10-27-19)21(23,24)25/h1-6,9-10,15,17,26H,7-8,11H2,(H,29,30)/t15-,17-/m1/s1
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AbbVie Inc.

US Patent


Assay Description
Two days prior to the experiment, frozen HEK293 cells stably expressing recombinant human Nav1.7 were quickly thawed and plated at 25,000 cells/well ...


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


(Homo sapiens (Human))
BDBM250970
PNG
(US9452986, 274)
Show SMILES CC(C)[C@H]1CN(CCN1)C(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C23H23F3N4O2/c1-14(2)20-13-30(10-9-27-20)22(31)19-6-3-15-11-17(5-7-18(15)29-19)32-21-8-4-16(12-28-21)23(24,25)26/h3-8,11-12,14,20,27H,9-10,13H2,1-2H3/t20-/m1/s1
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AbbVie Inc.

US Patent


Assay Description
Two days prior to the experiment, frozen HEK293 cells stably expressing recombinant human Nav1.7 were quickly thawed and plated at 25,000 cells/well ...


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


(Homo sapiens (Human))
BDBM250734
PNG
(US9452986, 38)
Show SMILES C[C@@H](O)CNC(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C19H16F3N3O3/c1-11(26)9-24-18(27)16-5-2-12-8-14(4-6-15(12)25-16)28-17-7-3-13(10-23-17)19(20,21)22/h2-8,10-11,26H,9H2,1H3,(H,24,27)/t11-/m1/s1
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AbbVie Inc.

US Patent


Assay Description
Two days prior to the experiment, frozen HEK293 cells stably expressing recombinant human Nav1.7 were quickly thawed and plated at 25,000 cells/well ...


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


(Homo sapiens (Human))
BDBM250741
PNG
(US9452986, 45)
Show SMILES CCN1CC(CC1=O)NC(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C22H19F3N4O3/c1-2-29-12-15(10-20(29)30)27-21(31)18-6-3-13-9-16(5-7-17(13)28-18)32-19-8-4-14(11-26-19)22(23,24)25/h3-9,11,15H,2,10,12H2,1H3,(H,27,31)
PDB

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AbbVie Inc.

US Patent


Assay Description
Two days prior to the experiment, frozen HEK293 cells stably expressing recombinant human Nav1.7 were quickly thawed and plated at 25,000 cells/well ...


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


(Homo sapiens (Human))
BDBM250792
PNG
(US9452986, 96)
Show SMILES O=C(NCCN1CCCC1)c1ccc2cc(Oc3ccc(cc3)C#N)ccc2n1
Show InChI InChI=1S/C23H22N4O2/c24-16-17-3-6-19(7-4-17)29-20-8-10-21-18(15-20)5-9-22(26-21)23(28)25-11-14-27-12-1-2-13-27/h3-10,15H,1-2,11-14H2,(H,25,28)
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AbbVie Inc.

US Patent


Assay Description
Two days prior to the experiment, frozen HEK293 cells stably expressing recombinant human Nav1.7 were quickly thawed and plated at 25,000 cells/well ...


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.8


(Homo sapiens (Human))
BDBM250743
PNG
(US9452986, 47)
Show SMILES FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)N2CCN(CC2)C2CCC2)nc1
Show InChI InChI=1S/C24H23F3N4O2/c25-24(26,27)17-5-9-22(28-15-17)33-19-6-8-20-16(14-19)4-7-21(29-20)23(32)31-12-10-30(11-13-31)18-2-1-3-18/h4-9,14-15,18H,1-3,10-13H2
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AbbVie Inc.

US Patent


Assay Description
Two days prior to the experiment, frozen HEK293 cells stably expressing recombinant human Nav1.8 (Essen, Ann Arbor, Mich.) were quickly thawed and pl...


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


(Homo sapiens (Human))
BDBM250742
PNG
(US9452986, 46)
Show SMILES CCN1CC(CC1=O)NC(=O)c1ccc2cc(Oc3ccc(cn3)C(F)F)ccc2n1
Show InChI InChI=1S/C22H20F2N4O3/c1-2-28-12-15(10-20(28)29)26-22(30)18-6-3-13-9-16(5-7-17(13)27-18)31-19-8-4-14(11-25-19)21(23)24/h3-9,11,15,21H,2,10,12H2,1H3,(H,26,30)
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AbbVie Inc.

US Patent


Assay Description
Two days prior to the experiment, frozen HEK293 cells stably expressing recombinant human Nav1.7 were quickly thawed and plated at 25,000 cells/well ...


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


(Homo sapiens (Human))
BDBM250708
PNG
(US9452986, 12)
Show SMILES C[C@@H]1CN(CCN1)C(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C21H19F3N4O2/c1-13-12-28(9-8-25-13)20(29)18-5-2-14-10-16(4-6-17(14)27-18)30-19-7-3-15(11-26-19)21(22,23)24/h2-7,10-11,13,25H,8-9,12H2,1H3/t13-/m1/s1
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AbbVie Inc.

US Patent


Assay Description
Two days prior to the experiment, frozen HEK293 cells stably expressing recombinant human Nav1.7 were quickly thawed and plated at 25,000 cells/well ...


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


(Homo sapiens (Human))
BDBM251157
PNG
(US9452986, 461)
Show SMILES CCN(CC)C(=O)CNC(=O)c1ccc2cc(Oc3ccc(cn3)C(F)F)ccc2n1
Show InChI InChI=1S/C22H22F2N4O3/c1-3-28(4-2)20(29)13-26-22(30)18-8-5-14-11-16(7-9-17(14)27-18)31-19-10-6-15(12-25-19)21(23)24/h5-12,21H,3-4,13H2,1-2H3,(H,26,30)
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AbbVie Inc.

US Patent


Assay Description
Two days prior to the experiment, frozen HEK293 cells stably expressing recombinant human Nav1.7 were quickly thawed and plated at 25,000 cells/well ...


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


(Homo sapiens (Human))
BDBM251219
PNG
(US9452986, 523)
Show SMILES CCN1CC(CC1=O)NC(=O)c1ccc2cc(Oc3ccc(nc3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C22H19F3N4O3/c1-2-29-12-14(10-20(29)30)27-21(31)18-6-3-13-9-15(4-7-17(13)28-18)32-16-5-8-19(26-11-16)22(23,24)25/h3-9,11,14H,2,10,12H2,1H3,(H,27,31)
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AbbVie Inc.

US Patent


Assay Description
Two days prior to the experiment, frozen HEK293 cells stably expressing recombinant human Nav1.7 were quickly thawed and plated at 25,000 cells/well ...


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


(Homo sapiens (Human))
BDBM251061
PNG
(US9452986, 365)
Show SMILES FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)NCCN2CCSCC2)nc1
Show InChI InChI=1S/C22H21F3N4O2S/c23-22(24,25)16-2-6-20(27-14-16)31-17-3-5-18-15(13-17)1-4-19(28-18)21(30)26-7-8-29-9-11-32-12-10-29/h1-6,13-14H,7-12H2,(H,26,30)
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AbbVie Inc.

US Patent


Assay Description
Two days prior to the experiment, frozen HEK293 cells stably expressing recombinant human Nav1.7 were quickly thawed and plated at 25,000 cells/well ...


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


(Homo sapiens (Human))
BDBM250786
PNG
(US9452986, 90)
Show SMILES O=C(N[C@H]1CCOC1=O)c1ccc2cc(Oc3ccc(cc3)C#N)ccc2n1
Show InChI InChI=1S/C21H15N3O4/c22-12-13-1-4-15(5-2-13)28-16-6-8-17-14(11-16)3-7-18(23-17)20(25)24-19-9-10-27-21(19)26/h1-8,11,19H,9-10H2,(H,24,25)/t19-/m0/s1
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AbbVie Inc.

US Patent


Assay Description
Two days prior to the experiment, frozen HEK293 cells stably expressing recombinant human Nav1.7 were quickly thawed and plated at 25,000 cells/well ...


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


(Homo sapiens (Human))
BDBM251060
PNG
(US9452986, 364)
Show SMILES CC1(C)CN(CCNC(=O)c2ccc3cc(Oc4ccc(cn4)C(F)(F)F)ccc3n2)C1
Show InChI InChI=1S/C23H23F3N4O2/c1-22(2)13-30(14-22)10-9-27-21(31)19-6-3-15-11-17(5-7-18(15)29-19)32-20-8-4-16(12-28-20)23(24,25)26/h3-8,11-12H,9-10,13-14H2,1-2H3,(H,27,31)
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AbbVie Inc.

US Patent


Assay Description
Two days prior to the experiment, frozen HEK293 cells stably expressing recombinant human Nav1.7 were quickly thawed and plated at 25,000 cells/well ...


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


(Homo sapiens (Human))
BDBM251213
PNG
(US9452986, 517)
Show SMILES CCN(CC)C(=O)CNC(=O)c1ccc2cc(Oc3ccc(nc3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C22H21F3N4O3/c1-3-29(4-2)20(30)13-27-21(31)18-8-5-14-11-15(6-9-17(14)28-18)32-16-7-10-19(26-12-16)22(23,24)25/h5-12H,3-4,13H2,1-2H3,(H,27,31)
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AbbVie Inc.

US Patent


Assay Description
Two days prior to the experiment, frozen HEK293 cells stably expressing recombinant human Nav1.7 were quickly thawed and plated at 25,000 cells/well ...


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


(Homo sapiens (Human))
BDBM251144
PNG
(US9452986, 448)
Show SMILES CN1CC(CC1=O)NC(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C21H17F3N4O3/c1-28-11-14(9-19(28)29)26-20(30)17-5-2-12-8-15(4-6-16(12)27-17)31-18-7-3-13(10-25-18)21(22,23)24/h2-8,10,14H,9,11H2,1H3,(H,26,30)
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AbbVie Inc.

US Patent


Assay Description
Two days prior to the experiment, frozen HEK293 cells stably expressing recombinant human Nav1.7 were quickly thawed and plated at 25,000 cells/well ...


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


(Homo sapiens (Human))
BDBM251095
PNG
(US9452986, 399)
Show SMILES FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)NC2COC2)nc1
Show InChI InChI=1S/C19H14F3N3O3/c20-19(21,22)12-2-6-17(23-8-12)28-14-3-5-15-11(7-14)1-4-16(25-15)18(26)24-13-9-27-10-13/h1-8,13H,9-10H2,(H,24,26)
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AbbVie Inc.

US Patent


Assay Description
Two days prior to the experiment, frozen HEK293 cells stably expressing recombinant human Nav1.7 were quickly thawed and plated at 25,000 cells/well ...


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


(Homo sapiens (Human))
BDBM250760
PNG
(US9452986, 64)
Show SMILES COC[C@@H]1CN(CCN1)C(=O)c1ccc2cc(Oc3ccc(nc3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C22H21F3N4O3/c1-31-13-15-12-29(9-8-26-15)21(30)19-5-2-14-10-16(3-6-18(14)28-19)32-17-4-7-20(27-11-17)22(23,24)25/h2-7,10-11,15,26H,8-9,12-13H2,1H3/t15-/m0/s1
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AbbVie Inc.

US Patent


Assay Description
Two days prior to the experiment, frozen HEK293 cells stably expressing recombinant human Nav1.7 were quickly thawed and plated at 25,000 cells/well ...


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.8


(Homo sapiens (Human))
BDBM251127
PNG
(US9452986, 431)
Show SMILES FC(F)(F)Oc1ccc(Oc2ccc3nc(ccc3c2)C(=O)N2CCNCC2)nc1
Show InChI InChI=1S/C20H17F3N4O3/c21-20(22,23)30-15-3-6-18(25-12-15)29-14-2-5-16-13(11-14)1-4-17(26-16)19(28)27-9-7-24-8-10-27/h1-6,11-12,24H,7-10H2
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AbbVie Inc.

US Patent


Assay Description
Two days prior to the experiment, frozen HEK293 cells stably expressing recombinant human Nav1.8 (Essen, Ann Arbor, Mich.) were quickly thawed and pl...


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


(Homo sapiens (Human))
BDBM250733
PNG
(US9452986, 37)
Show SMILES FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)NCC2CCO2)nc1
Show InChI InChI=1S/C20H16F3N3O3/c21-20(22,23)13-2-6-18(24-10-13)29-14-3-5-16-12(9-14)1-4-17(26-16)19(27)25-11-15-7-8-28-15/h1-6,9-10,15H,7-8,11H2,(H,25,27)
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AbbVie Inc.

US Patent


Assay Description
Two days prior to the experiment, frozen HEK293 cells stably expressing recombinant human Nav1.7 were quickly thawed and plated at 25,000 cells/well ...


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


(Homo sapiens (Human))
BDBM251239
PNG
(US9452986, 543)
Show SMILES CC[C@@H]1CN(CCN1)C(=O)c1ccc2cc(Oc3ccc(nc3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C22H21F3N4O2/c1-2-15-13-29(10-9-26-15)21(30)19-6-3-14-11-16(4-7-18(14)28-19)31-17-5-8-20(27-12-17)22(23,24)25/h3-8,11-12,15,26H,2,9-10,13H2,1H3/t15-/m1/s1
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AbbVie Inc.

US Patent


Assay Description
Two days prior to the experiment, frozen HEK293 cells stably expressing recombinant human Nav1.7 were quickly thawed and plated at 25,000 cells/well ...


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


(Homo sapiens (Human))
BDBM251089
PNG
(US9452986, 393)
Show SMILES FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)N[C@@H]2CCOC2)nc1
Show InChI InChI=1S/C20H16F3N3O3/c21-20(22,23)13-2-6-18(24-10-13)29-15-3-5-16-12(9-15)1-4-17(26-16)19(27)25-14-7-8-28-11-14/h1-6,9-10,14H,7-8,11H2,(H,25,27)/t14-/m1/s1
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AbbVie Inc.

US Patent


Assay Description
Two days prior to the experiment, frozen HEK293 cells stably expressing recombinant human Nav1.7 were quickly thawed and plated at 25,000 cells/well ...


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


(Homo sapiens (Human))
BDBM251097
PNG
(US9452986, 401)
Show SMILES O[C@@H]1CCC[C@@H]1NC(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C21H18F3N3O3/c22-21(23,24)13-5-9-19(25-11-13)30-14-6-8-15-12(10-14)4-7-17(26-15)20(29)27-16-2-1-3-18(16)28/h4-11,16,18,28H,1-3H2,(H,27,29)/t16-,18+/m0/s1
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AbbVie Inc.

US Patent


Assay Description
Two days prior to the experiment, frozen HEK293 cells stably expressing recombinant human Nav1.7 were quickly thawed and plated at 25,000 cells/well ...


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


(Homo sapiens (Human))
BDBM250959
PNG
(US9452986, 263)
Show SMILES CC(C)[C@@H]1CN(CCN1)C(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C23H23F3N4O2/c1-14(2)20-13-30(10-9-27-20)22(31)19-6-3-15-11-17(5-7-18(15)29-19)32-21-8-4-16(12-28-21)23(24,25)26/h3-8,11-12,14,20,27H,9-10,13H2,1-2H3/t20-/m0/s1
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AbbVie Inc.

US Patent


Assay Description
Two days prior to the experiment, frozen HEK293 cells stably expressing recombinant human Nav1.7 were quickly thawed and plated at 25,000 cells/well ...


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


(Homo sapiens (Human))
BDBM251090
PNG
(US9452986, 394 | US9452986, 409)
Show SMILES FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)NC[C@H]2CCCO2)nc1
Show InChI InChI=1S/C21H18F3N3O3/c22-21(23,24)14-4-8-19(25-11-14)30-15-5-7-17-13(10-15)3-6-18(27-17)20(28)26-12-16-2-1-9-29-16/h3-8,10-11,16H,1-2,9,12H2,(H,26,28)/t16-/m1/s1
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AbbVie Inc.

US Patent


Assay Description
Two days prior to the experiment, frozen HEK293 cells stably expressing recombinant human Nav1.7 were quickly thawed and plated at 25,000 cells/well ...


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


(Homo sapiens (Human))
BDBM251149
PNG
(US9452986, 453)
Show SMILES CCN(CC)C(=O)CCNC(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C23H23F3N4O3/c1-3-30(4-2)21(31)11-12-27-22(32)19-8-5-15-13-17(7-9-18(15)29-19)33-20-10-6-16(14-28-20)23(24,25)26/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,27,32)
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AbbVie Inc.

US Patent


Assay Description
Two days prior to the experiment, frozen HEK293 cells stably expressing recombinant human Nav1.7 were quickly thawed and plated at 25,000 cells/well ...


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


(Homo sapiens (Human))
BDBM250712
PNG
(US9452986, 16)
Show SMILES CC[C@@H]1CN(CCN1)C(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C22H21F3N4O2/c1-2-16-13-29(10-9-26-16)21(30)19-6-3-14-11-17(5-7-18(14)28-19)31-20-8-4-15(12-27-20)22(23,24)25/h3-8,11-12,16,26H,2,9-10,13H2,1H3/t16-/m1/s1
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AbbVie Inc.

US Patent


Assay Description
Two days prior to the experiment, frozen HEK293 cells stably expressing recombinant human Nav1.7 were quickly thawed and plated at 25,000 cells/well ...


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


(Homo sapiens (Human))
BDBM250750
PNG
(US9452986, 54)
Show SMILES Fc1ccc(cc1)N1CC(CC1=O)NC(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C26H18F4N4O3/c27-17-3-5-19(6-4-17)34-14-18(12-24(34)35)32-25(36)22-8-1-15-11-20(7-9-21(15)33-22)37-23-10-2-16(13-31-23)26(28,29)30/h1-11,13,18H,12,14H2,(H,32,36)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 409n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Two days prior to the experiment, frozen HEK293 cells stably expressing recombinant human Nav1.7 were quickly thawed and plated at 25,000 cells/well ...


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


(Homo sapiens (Human))
BDBM251198
PNG
(US9452986, 502)
Show SMILES COc1ccccc1N1CC(CC1=O)NC(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C27H21F3N4O4/c1-37-23-5-3-2-4-22(23)34-15-18(13-25(34)35)32-26(36)21-9-6-16-12-19(8-10-20(16)33-21)38-24-11-7-17(14-31-24)27(28,29)30/h2-12,14,18H,13,15H2,1H3,(H,32,36)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 429n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Two days prior to the experiment, frozen HEK293 cells stably expressing recombinant human Nav1.7 were quickly thawed and plated at 25,000 cells/well ...


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


(Homo sapiens (Human))
BDBM251032
PNG
(US9452986, 336)
Show SMILES OC1(CNC(=O)c2ccc3cc(Oc4ccc(cn4)C(F)(F)F)ccc3n2)CCC1
Show InChI InChI=1S/C21H18F3N3O3/c22-21(23,24)14-3-7-18(25-11-14)30-15-4-6-16-13(10-15)2-5-17(27-16)19(28)26-12-20(29)8-1-9-20/h2-7,10-11,29H,1,8-9,12H2,(H,26,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 439n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Two days prior to the experiment, frozen HEK293 cells stably expressing recombinant human Nav1.7 were quickly thawed and plated at 25,000 cells/well ...


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


(Homo sapiens (Human))
BDBM251129
PNG
(US9452986, 433)
Show SMILES FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)NC2CC(C2)N2CCOCC2)nc1
Show InChI InChI=1S/C24H23F3N4O3/c25-24(26,27)16-2-6-22(28-14-16)34-19-3-5-20-15(11-19)1-4-21(30-20)23(32)29-17-12-18(13-17)31-7-9-33-10-8-31/h1-6,11,14,17-18H,7-10,12-13H2,(H,29,32)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 442n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Two days prior to the experiment, frozen HEK293 cells stably expressing recombinant human Nav1.7 were quickly thawed and plated at 25,000 cells/well ...


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


(Homo sapiens (Human))
BDBM251090
PNG
(US9452986, 394 | US9452986, 409)
Show SMILES FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)NC[C@H]2CCCO2)nc1
Show InChI InChI=1S/C21H18F3N3O3/c22-21(23,24)14-4-8-19(25-11-14)30-15-5-7-17-13(10-15)3-6-18(27-17)20(28)26-12-16-2-1-9-29-16/h3-8,10-11,16H,1-2,9,12H2,(H,26,28)/t16-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 443n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Two days prior to the experiment, frozen HEK293 cells stably expressing recombinant human Nav1.7 were quickly thawed and plated at 25,000 cells/well ...


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


(Homo sapiens (Human))
BDBM251267
PNG
(US9452986, 571)
Show SMILES FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)NCC(=O)N2CCC2)nc1
Show InChI InChI=1S/C21H17F3N4O3/c22-21(23,24)14-3-7-18(25-11-14)31-15-4-6-16-13(10-15)2-5-17(27-16)20(30)26-12-19(29)28-8-1-9-28/h2-7,10-11H,1,8-9,12H2,(H,26,30)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 448n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Two days prior to the experiment, frozen HEK293 cells stably expressing recombinant human Nav1.7 were quickly thawed and plated at 25,000 cells/well ...


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