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Patent code US9783527

Compile Data Set for Download or QSAR

Found 470 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
fret-membrane potential nav1.8


(Homo sapiens (Human))
BDBM344702
PNG
(US9783527, Example 5 | isobutyl 3-[1-(2-fluorophen...)
Show SMILES CC(C)COC(=O)N1CCN(C1=O)c1cccc2n(ncc12)-c1ccccc1F
Show InChI InChI=1S/C21H21FN4O3/c1-14(2)13-29-21(28)25-11-10-24(20(25)27)17-8-5-9-18-15(17)12-23-26(18)19-7-4-3-6-16(19)22/h3-9,12,14H,10-11,13H2,1-2H3
PDB

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US Patent
n/an/a 57.2n/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...


US Patent US9783527 (2017)

More data for this
Ligand-Target Pair
fret-membrane potential nav1.7


(Homo sapiens (Human))
BDBM344702
PNG
(US9783527, Example 5 | isobutyl 3-[1-(2-fluorophen...)
Show SMILES CC(C)COC(=O)N1CCN(C1=O)c1cccc2n(ncc12)-c1ccccc1F
Show InChI InChI=1S/C21H21FN4O3/c1-14(2)13-29-21(28)25-11-10-24(20(25)27)17-8-5-9-18-15(17)12-23-26(18)19-7-4-3-6-16(19)22/h3-9,12,14H,10-11,13H2,1-2H3
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 ...


US Patent US9783527 (2017)

More data for this
Ligand-Target Pair
fret-membrane potential nav1.7


(Homo sapiens (Human))
BDBM344943
PNG
(1-[1-(2-fluorophenyl)-1H- | 1-[1-(2-fluorophenyl)-...)
Show SMILES Cc1scnc1CN1CCN(C1=O)c1cccc2n(ncc12)-c1ccccc1F
Show InChI InChI=1S/C21H18FN5OS/c1-14-17(23-13-29-14)12-25-9-10-26(21(25)28)18-7-4-8-19-15(18)11-24-27(19)20-6-3-2-5-16(20)22/h2-8,11,13H,9-10,12H2,1H3
PDB

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n/an/a 207n/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 ...


US Patent US9783527 (2017)

More data for this
Ligand-Target Pair
fret-membrane potential nav1.7


(Homo sapiens (Human))
BDBM344701
PNG
(US9783527, Example 4 | isopropyl 3-[1-(2-fluorophe...)
Show SMILES CC(C)OC(=O)N1CCN(C1=O)c1cccc2n(ncc12)-c1ccccc1F
Show InChI InChI=1S/C20H19FN4O3/c1-13(2)28-20(27)24-11-10-23(19(24)26)16-8-5-9-17-14(16)12-22-25(17)18-7-4-3-6-15(18)21/h3-9,12-13H,10-11H2,1-2H3
PDB

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n/an/a 223n/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 ...


US Patent US9783527 (2017)

More data for this
Ligand-Target Pair
fret-membrane potential nav1.8


(Homo sapiens (Human))
BDBM344701
PNG
(US9783527, Example 4 | isopropyl 3-[1-(2-fluorophe...)
Show SMILES CC(C)OC(=O)N1CCN(C1=O)c1cccc2n(ncc12)-c1ccccc1F
Show InChI InChI=1S/C20H19FN4O3/c1-13(2)28-20(27)24-11-10-23(19(24)26)16-8-5-9-17-14(16)12-22-25(17)18-7-4-3-6-15(18)21/h3-9,12-13H,10-11H2,1-2H3
PDB

UniProtKB/SwissProt

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US Patent
n/an/a 230n/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...


US Patent US9783527 (2017)

More data for this
Ligand-Target Pair
fret-membrane potential nav1.7


(Homo sapiens (Human))
BDBM344740
PNG
(1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-[(6-methy...)
Show SMILES Cc1cncc(CN2CCN(C2=O)c2cccc3n(ncc23)-c2ccccc2F)n1
Show InChI InChI=1S/C22H19FN6O/c1-15-11-24-12-16(26-15)14-27-9-10-28(22(27)30)19-7-4-8-20-17(19)13-25-29(20)21-6-3-2-5-18(21)23/h2-8,11-13H,9-10,14H2,1H3
PDB

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n/an/a 265n/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 ...


US Patent US9783527 (2017)

More data for this
Ligand-Target Pair
fret-membrane potential nav1.7


(Homo sapiens (Human))
BDBM344869
PNG
(1-[1-(2-fluorophenyl)-1H- | 1-[1-(2-fluorophenyl)-...)
Show SMILES Fc1ccccc1-n1ncc2c(cccc12)N1CCN(CC(=O)N2CCC[C@@H]2C(F)(F)F)C1=O
Show InChI InChI=1S/C23H21F4N5O2/c24-16-5-1-2-6-19(16)32-18-8-3-7-17(15(18)13-28-32)30-12-11-29(22(30)34)14-21(33)31-10-4-9-20(31)23(25,26)27/h1-3,5-8,13,20H,4,9-12,14H2/t20-/m1/s1
PDB

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n/an/a 285n/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 ...


US Patent US9783527 (2017)

More data for this
Ligand-Target Pair
fret-membrane potential nav1.7


(Homo sapiens (Human))
BDBM344829
PNG
(US9783527, Example 131 | cyclohexyl 3-[1-(2- | cyc...)
Show SMILES Fc1ccccc1-n1ncc2c(cccc12)N1CCN(C(=O)OC2CCCCC2)C1=O
Show InChI InChI=1S/C23H23FN4O3/c24-18-9-4-5-10-21(18)28-20-12-6-11-19(17(20)15-25-28)26-13-14-27(22(26)29)23(30)31-16-7-2-1-3-8-16/h4-6,9-12,15-16H,1-3,7-8,13-14H2
PDB

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n/an/a 286n/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 ...


US Patent US9783527 (2017)

More data for this
Ligand-Target Pair
fret-membrane potential nav1.7


(Homo sapiens (Human))
BDBM344737
PNG
(1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-(1,3-thia...)
Show SMILES Fc1ccccc1-n1ncc2c(cccc12)N1CCN(Cc2cscn2)C1=O
Show InChI InChI=1S/C20H16FN5OS/c21-16-4-1-2-5-19(16)26-18-7-3-6-17(15(18)10-23-26)25-9-8-24(20(25)27)11-14-12-28-13-22-14/h1-7,10,12-13H,8-9,11H2
PDB

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n/an/a 301n/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 ...


US Patent US9783527 (2017)

More data for this
Ligand-Target Pair
fret-membrane potential nav1.7


(Homo sapiens (Human))
BDBM344719
PNG
(1-{2-[(2S)-2-ethylpyrrolidin-1-yl]-2-oxoethyl}-3-[...)
Show SMILES CC[C@H]1CCCN1C(=O)CN1CCN(C1=O)c1cccc2n(ncc12)-c1ccccc1F
Show InChI InChI=1S/C24H26FN5O2/c1-2-17-7-6-12-28(17)23(31)16-27-13-14-29(24(27)32)20-10-5-11-21-18(20)15-26-30(21)22-9-4-3-8-19(22)25/h3-5,8-11,15,17H,2,6-7,12-14,16H2,1H3/t17-/m0/s1
PDB

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n/an/a 314n/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 ...


US Patent US9783527 (2017)

More data for this
Ligand-Target Pair
fret-membrane potential nav1.8


(Homo sapiens (Human))
BDBM344710
PNG
(1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-(pyridin-...)
Show SMILES Fc1ccccc1-n1ncc2c(cccc12)N1C(=O)CN(Cc2ccccn2)C1=O
Show InChI InChI=1S/C22H16FN5O2/c23-17-7-1-2-8-20(17)28-19-10-5-9-18(16(19)12-25-28)27-21(29)14-26(22(27)30)13-15-6-3-4-11-24-15/h1-12H,13-14H2
PDB

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n/an/a 321n/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...


US Patent US9783527 (2017)

More data for this
Ligand-Target Pair
fret-membrane potential nav1.7


(Homo sapiens (Human))
BDBM344722
PNG
(1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-[(4-methy...)
Show SMILES Cc1csc(CN2CCN(C2=O)c2cccc3n(ncc23)-c2ccccc2F)n1
Show InChI InChI=1S/C21H18FN5OS/c1-14-13-29-20(24-14)12-25-9-10-26(21(25)28)17-7-4-8-18-15(17)11-23-27(18)19-6-3-2-5-16(19)22/h2-8,11,13H,9-10,12H2,1H3
PDB

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n/an/a 338n/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 ...


US Patent US9783527 (2017)

More data for this
Ligand-Target Pair
fret-membrane potential nav1.7


(Homo sapiens (Human))
BDBM344970
PNG
(1-[(1R,2R)-2- | 1-[(1R,2R)-2-(benzyloxy)cyclohexyl...)
Show SMILES Fc1ccccc1-n1ncc2c(cccc12)N1CCN([C@@H]2CCCC[C@H]2OCc2ccccc2)C1=O
Show InChI InChI=1S/C29H29FN4O2/c30-23-11-4-5-12-26(23)34-25-15-8-14-24(22(25)19-31-34)32-17-18-33(29(32)35)27-13-6-7-16-28(27)36-20-21-9-2-1-3-10-21/h1-5,8-12,14-15,19,27-28H,6-7,13,16-18,20H2/t27-,28-/m1/s1
PDB

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n/an/a 338n/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 ...


US Patent US9783527 (2017)

More data for this
Ligand-Target Pair
fret-membrane potential nav1.7


(Homo sapiens (Human))
BDBM344824
PNG
(1-[1-(2-fluorophenyl)-1H- | 1-[1-(2-fluorophenyl)-...)
Show SMILES CC(C)[C@H]1CCCN1C(=O)CN1CCN(C1=O)c1cccc2n(ncc12)-c1ccccc1F
Show InChI InChI=1S/C25H28FN5O2/c1-17(2)20-11-6-12-29(20)24(32)16-28-13-14-30(25(28)33)21-9-5-10-22-18(21)15-27-31(22)23-8-4-3-7-19(23)26/h3-5,7-10,15,17,20H,6,11-14,16H2,1-2H3/t20-/m1/s1
PDB

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n/an/a 343n/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 ...


US Patent US9783527 (2017)

More data for this
Ligand-Target Pair
fret-membrane potential nav1.8


(Homo sapiens (Human))
BDBM345006
PNG
(1-[1-(2-fluorophenyl)-1H- | 1-[1-(2-fluorophenyl)-...)
Show SMILES Fc1ccccc1-n1ncc2c(cccc12)N1CCN(CC(=O)N2CC[C@@H](C2)C(F)(F)F)C1=O
Show InChI InChI=1S/C23H21F4N5O2/c24-17-4-1-2-5-20(17)32-19-7-3-6-18(16(19)12-28-32)31-11-10-30(22(31)34)14-21(33)29-9-8-15(13-29)23(25,26)27/h1-7,12,15H,8-11,13-14H2/t15-/m0/s1
PDB

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n/an/a 345n/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...


US Patent US9783527 (2017)

More data for this
Ligand-Target Pair
fret-membrane potential nav1.7


(Homo sapiens (Human))
BDBM344821
PNG
(1-[1-(2-fluorophenyl)-1H- | 1-[1-(2-fluorophenyl)-...)
Show SMILES CC(C)CC(O)CN1CCN(C1=O)c1cccc2n(ncc12)-c1ccccc1F
Show InChI InChI=1S/C22H25FN4O2/c1-15(2)12-16(28)14-25-10-11-26(22(25)29)19-8-5-9-20-17(19)13-24-27(20)21-7-4-3-6-18(21)23/h3-9,13,15-16,28H,10-12,14H2,1-2H3
PDB

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n/an/a 346n/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 ...


US Patent US9783527 (2017)

More data for this
Ligand-Target Pair
fret-membrane potential nav1.7


(Homo sapiens (Human))
BDBM344786
PNG
(1-{2-[(3S)-3- | 1-{2-[(3S)-3-fluoropyrrolidin-1-yl...)
Show SMILES F[C@H]1CCN(C1)C(=O)CN1CCN(C1=O)c1cccc2n(ncc12)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C23H21F4N5O3/c24-15-7-8-29(13-15)21(33)14-30-9-10-31(22(30)34)19-5-2-6-20-18(19)12-28-32(20)16-3-1-4-17(11-16)35-23(25,26)27/h1-6,11-12,15H,7-10,13-14H2/t15-/m0/s1
PDB

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n/an/a 351n/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 ...


US Patent US9783527 (2017)

More data for this
Ligand-Target Pair
fret-membrane potential nav1.7


(Homo sapiens (Human))
BDBM344937
PNG
(1-[(2,5-dimethyl-1,3- | 1-[(2,5-dimethyl-1,3-thiaz...)
Show SMILES Cc1nc(CN2CCN(C2=O)c2cccc3n(ncc23)-c2ccccc2F)c(C)s1
Show InChI InChI=1S/C22H20FN5OS/c1-14-18(25-15(2)30-14)13-26-10-11-27(22(26)29)19-8-5-9-20-16(19)12-24-28(20)21-7-4-3-6-17(21)23/h3-9,12H,10-11,13H2,1-2H3
PDB

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n/an/a 352n/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 ...


US Patent US9783527 (2017)

More data for this
Ligand-Target Pair
fret-membrane potential nav1.7


(Homo sapiens (Human))
BDBM344708
PNG
(1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-{2-[(3S)-...)
Show SMILES F[C@H]1CCN(C1)C(=O)CN1CCN(C1=O)c1cccc2n(ncc12)-c1ccccc1F
Show InChI InChI=1S/C22H21F2N5O2/c23-15-8-9-26(13-15)21(30)14-27-10-11-28(22(27)31)18-6-3-7-19-16(18)12-25-29(19)20-5-2-1-4-17(20)24/h1-7,12,15H,8-11,13-14H2/t15-/m0/s1
PDB

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n/an/a 375n/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 ...


US Patent US9783527 (2017)

More data for this
Ligand-Target Pair
fret-membrane potential nav1.7


(Homo sapiens (Human))
BDBM344724
PNG
(1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-(1,3-oxaz...)
Show SMILES Fc1ccccc1-n1ncc2c(cccc12)N1CCN(Cc2cocn2)C1=O
Show InChI InChI=1S/C20H16FN5O2/c21-16-4-1-2-5-19(16)26-18-7-3-6-17(15(18)10-23-26)25-9-8-24(20(25)27)11-14-12-28-13-22-14/h1-7,10,12-13H,8-9,11H2
PDB

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n/an/a 382n/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 ...


US Patent US9783527 (2017)

More data for this
Ligand-Target Pair
fret-membrane potential nav1.7


(Homo sapiens (Human))
BDBM344735
PNG
(1-[1-(2,4-difluorophenyl)-1H-indazol-4-yl]-3-(1,3-...)
Show SMILES Fc1ccc(c(F)c1)-n1ncc2c(cccc12)N1CCN(Cc2cocn2)C1=O
Show InChI InChI=1S/C20H15F2N5O2/c21-13-4-5-19(16(22)8-13)27-18-3-1-2-17(15(18)9-24-27)26-7-6-25(20(26)28)10-14-11-29-12-23-14/h1-5,8-9,11-12H,6-7,10H2
PDB

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n/an/a 392n/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 ...


US Patent US9783527 (2017)

More data for this
Ligand-Target Pair
fret-membrane potential nav1.8


(Homo sapiens (Human))
BDBM344997
PNG
(1-[1-(2-fluorophenyl)-1H- | 1-[1-(2-fluorophenyl)-...)
Show SMILES Fc1ccccc1-n1ncc2c(cccc12)N1CCN(CC(=O)N2CCC(CC2)C(F)(F)F)C1=O
Show InChI InChI=1S/C24H23F4N5O2/c25-18-4-1-2-5-21(18)33-20-7-3-6-19(17(20)14-29-33)32-13-12-31(23(32)35)15-22(34)30-10-8-16(9-11-30)24(26,27)28/h1-7,14,16H,8-13,15H2
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n/an/a 398n/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...


US Patent US9783527 (2017)

More data for this
Ligand-Target Pair
fret-membrane potential nav1.7


(Homo sapiens (Human))
BDBM344827
PNG
(1-[1-(2-fluorophenyl)-1H- | 1-[1-(2-fluorophenyl)-...)
Show SMILES Fc1ccccc1-n1ncc2c(cccc12)N1CCN(CC(=O)N2CCCC2c2ccccc2)C1=O
Show InChI InChI=1S/C28H26FN5O2/c29-22-10-4-5-11-26(22)34-25-13-6-12-24(21(25)18-30-34)33-17-16-31(28(33)36)19-27(35)32-15-7-14-23(32)20-8-2-1-3-9-20/h1-6,8-13,18,23H,7,14-17,19H2
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n/an/a 403n/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 ...


US Patent US9783527 (2017)

More data for this
Ligand-Target Pair
fret-membrane potential nav1.8


(Homo sapiens (Human))
BDBM344711
PNG
(N-cyclopropyl-2-{3-[1-(2-fluorophenyl)-1H-indazol-...)
Show SMILES Fc1ccccc1-n1ncc2c(cccc12)N1CCN(CC(=O)NC2CC2)C1=O
Show InChI InChI=1S/C21H20FN5O2/c22-16-4-1-2-5-19(16)27-18-7-3-6-17(15(18)12-23-27)26-11-10-25(21(26)29)13-20(28)24-14-8-9-14/h1-7,12,14H,8-11,13H2,(H,24,28)
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n/an/a 406n/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...


US Patent US9783527 (2017)

More data for this
Ligand-Target Pair
fret-membrane potential nav1.7


(Homo sapiens (Human))
BDBM344732
PNG
(1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-(1,3-thia...)
Show SMILES Fc1ccccc1-n1ncc2c(cccc12)N1CCN(Cc2nccs2)C1=O
Show InChI InChI=1S/C20H16FN5OS/c21-15-4-1-2-5-18(15)26-17-7-3-6-16(14(17)12-23-26)25-10-9-24(20(25)27)13-19-22-8-11-28-19/h1-8,11-12H,9-10,13H2
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n/an/a 420n/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 ...


US Patent US9783527 (2017)

More data for this
Ligand-Target Pair
fret-membrane potential nav1.7


(Homo sapiens (Human))
BDBM344864
PNG
(1-(2-cyclobutyl-1-hydroxy- | 1-(2-cyclobutyl-1-hyd...)
Show SMILES OC(N1CCN(C1=O)c1cccc2n(ncc12)-c1ccccc1F)C(=O)C1CCC1
Show InChI InChI=1S/C22H21FN4O3/c23-16-7-1-2-8-19(16)27-18-10-4-9-17(15(18)13-24-27)25-11-12-26(22(25)30)21(29)20(28)14-5-3-6-14/h1-2,4,7-10,13-14,21,29H,3,5-6,11-12H2
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n/an/a 435n/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 ...


US Patent US9783527 (2017)

More data for this
Ligand-Target Pair
fret-membrane potential nav1.7


(Homo sapiens (Human))
BDBM344726
PNG
(1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-(pyrimidi...)
Show SMILES Fc1ccccc1-n1ncc2c(cccc12)N1CCN(C1=O)c1ncccn1
Show InChI InChI=1S/C20H15FN6O/c21-15-5-1-2-6-18(15)27-17-8-3-7-16(14(17)13-24-27)25-11-12-26(20(25)28)19-22-9-4-10-23-19/h1-10,13H,11-12H2
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n/an/a 457n/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 ...


US Patent US9783527 (2017)

More data for this
Ligand-Target Pair
fret-membrane potential nav1.7


(Homo sapiens (Human))
BDBM344797
PNG
(1-[1-(2-fluorophenyl)-1H- | 1-[1-(2-fluorophenyl)-...)
Show SMILES Fc1ccccc1-n1ncc2c(cccc12)N1CCN(CC(=O)N2CCN3CCC[C@H]3C2)C1=O
Show InChI InChI=1S/C25H27FN6O2/c26-20-6-1-2-7-23(20)32-22-9-3-8-21(19(22)15-27-32)31-14-13-30(25(31)34)17-24(33)29-12-11-28-10-4-5-18(28)16-29/h1-3,6-9,15,18H,4-5,10-14,16-17H2/t18-/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 ...


US Patent US9783527 (2017)

More data for this
Ligand-Target Pair
fret-membrane potential nav1.7


(Homo sapiens (Human))
BDBM344709
PNG
(1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-{2-[(3S)-...)
Show SMILES F[C@H]1CCN(C1)C(=O)CN1CC(=O)N(C1=O)c1cccc2n(ncc12)-c1ccccc1F
Show InChI InChI=1S/C22H19F2N5O3/c23-14-8-9-26(11-14)20(30)12-27-13-21(31)28(22(27)32)17-6-3-7-18-15(17)10-25-29(18)19-5-2-1-4-16(19)24/h1-7,10,14H,8-9,11-13H2/t14-/m0/s1
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n/an/a 483n/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 ...


US Patent US9783527 (2017)

More data for this
Ligand-Target Pair
fret-membrane potential nav1.7


(Homo sapiens (Human))
BDBM344706
PNG
(1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-(4-methyl...)
Show SMILES CC(C)CC(=O)CN1CCN(C1=O)c1cccc2n(ncc12)-c1ccccc1F
Show InChI InChI=1S/C22H23FN4O2/c1-15(2)12-16(28)14-25-10-11-26(22(25)29)19-8-5-9-20-17(19)13-24-27(20)21-7-4-3-6-18(21)23/h3-9,13,15H,10-12,14H2,1-2H3
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n/an/a 491n/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 ...


US Patent US9783527 (2017)

More data for this
Ligand-Target Pair
fret-membrane potential nav1.7


(Homo sapiens (Human))
BDBM344961
PNG
(1-[1-(2-fluorophenyl)-1H- | 1-[1-(2-fluorophenyl)-...)
Show SMILES Cc1cnc(CN2CCN(C2=O)c2cccc3n(ncc23)-c2ccccc2F)s1
Show InChI InChI=1S/C21H18FN5OS/c1-14-11-23-20(29-14)13-25-9-10-26(21(25)28)17-7-4-8-18-15(17)12-24-27(18)19-6-3-2-5-16(19)22/h2-8,11-12H,9-10,13H2,1H3
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n/an/a 494n/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 ...


US Patent US9783527 (2017)

More data for this
Ligand-Target Pair
fret-membrane potential nav1.7


(Homo sapiens (Human))
BDBM344723
PNG
(1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-{2-[(1R,4...)
Show SMILES Fc1ccccc1-n1ncc2c(cccc12)N1CCN(CC(=O)N2C[C@H]3C[C@@H]2CO3)C1=O
Show InChI InChI=1S/C23H22FN5O3/c24-18-4-1-2-5-21(18)29-20-7-3-6-19(17(20)11-25-29)27-9-8-26(23(27)31)13-22(30)28-12-16-10-15(28)14-32-16/h1-7,11,15-16H,8-10,12-14H2/t15-,16-/m1/s1
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n/an/a 499n/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 ...


US Patent US9783527 (2017)

More data for this
Ligand-Target Pair
fret-membrane potential nav1.8


(Homo sapiens (Human))
BDBM345033
PNG
(N-[(1R,2R)-2- | N-[(1R,2R)-2-(benzyloxy)cyclopenty...)
Show SMILES Fc1ccccc1-n1ncc2c(cccc12)N1CCN(CC(=O)N[C@@H]2CCC[C@H]2OCc2ccccc2)C1=O
Show InChI InChI=1S/C30H30FN5O3/c31-23-10-4-5-12-27(23)36-26-14-7-13-25(22(26)18-32-36)35-17-16-34(30(35)38)19-29(37)33-24-11-6-15-28(24)39-20-21-8-2-1-3-9-21/h1-5,7-10,12-14,18,24,28H,6,11,15-17,19-20H2,(H,33,37)/t24-,28-/m1/s1
PDB

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n/an/a 501n/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...


US Patent US9783527 (2017)

More data for this
Ligand-Target Pair
fret-membrane potential nav1.8


(Homo sapiens (Human))
BDBM344724
PNG
(1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-(1,3-oxaz...)
Show SMILES Fc1ccccc1-n1ncc2c(cccc12)N1CCN(Cc2cocn2)C1=O
Show InChI InChI=1S/C20H16FN5O2/c21-16-4-1-2-5-19(16)26-18-7-3-6-17(15(18)10-23-26)25-9-8-24(20(25)27)11-14-12-28-13-22-14/h1-7,10,12-13H,8-9,11H2
PDB

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n/an/a 517n/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...


US Patent US9783527 (2017)

More data for this
Ligand-Target Pair
fret-membrane potential nav1.7


(Homo sapiens (Human))
BDBM344978
PNG
(1-[1-(2-fluorophenyl)-1H- | 1-[1-(2-fluorophenyl)-...)
Show SMILES CC(C)CO[C@H]1CCCC[C@@H]1N1CCN(C1=O)c1cccc2n(ncc12)-c1ccccc1F
Show InChI InChI=1S/C26H31FN4O2/c1-18(2)17-33-25-13-6-5-10-24(25)30-15-14-29(26(30)32)21-11-7-12-22-19(21)16-28-31(22)23-9-4-3-8-20(23)27/h3-4,7-9,11-12,16,18,24-25H,5-6,10,13-15,17H2,1-2H3/t24-,25-/m0/s1
PDB

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n/an/a 518n/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 ...


US Patent US9783527 (2017)

More data for this
Ligand-Target Pair
fret-membrane potential nav1.7


(Homo sapiens (Human))
BDBM345005
PNG
(1-{2-[(3S)-3- | 1-{2-[(3S)-3-fluoropyrrolidin-1-yl...)
Show SMILES F[C@H]1CCN(C1)C(=O)CN1CCN(C1=O)c1cccc2n(ncc12)-c1ccccc1
Show InChI InChI=1S/C22H22FN5O2/c23-16-9-10-25(14-16)21(29)15-26-11-12-27(22(26)30)19-7-4-8-20-18(19)13-24-28(20)17-5-2-1-3-6-17/h1-8,13,16H,9-12,14-15H2/t16-/m0/s1
PDB

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n/an/a 520n/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 ...


US Patent US9783527 (2017)

More data for this
Ligand-Target Pair
fret-membrane potential nav1.7


(Homo sapiens (Human))
BDBM344831
PNG
(1-[1-(2-fluorophenyl)-1H- | 1-[1-(2-fluorophenyl)-...)
Show SMILES CC(C)CCCC(O)CN1CCN(C1=O)c1cccc2n(ncc12)-c1ccccc1F
Show InChI InChI=1S/C24H29FN4O2/c1-17(2)7-5-8-18(30)16-27-13-14-28(24(27)31)21-11-6-12-22-19(21)15-26-29(22)23-10-4-3-9-20(23)25/h3-4,6,9-12,15,17-18,30H,5,7-8,13-14,16H2,1-2H3
PDB

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n/an/a 525n/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 ...


US Patent US9783527 (2017)

More data for this
Ligand-Target Pair
fret-membrane potential nav1.8


(Homo sapiens (Human))
BDBM345022
PNG
(N-cyclohexyl-2-{3-[1-(2- | N-cyclohexyl-2-{3-[1-(2...)
Show SMILES Fc1ccccc1-n1ncc2c(cccc12)N1CCN(CC(=O)NC2CCCCC2)C1=O
Show InChI InChI=1S/C24H26FN5O2/c25-19-9-4-5-10-22(19)30-21-12-6-11-20(18(21)15-26-30)29-14-13-28(24(29)32)16-23(31)27-17-7-2-1-3-8-17/h4-6,9-12,15,17H,1-3,7-8,13-14,16H2,(H,27,31)
PDB

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n/an/a 526n/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...


US Patent US9783527 (2017)

More data for this
Ligand-Target Pair
fret-membrane potential nav1.8


(Homo sapiens (Human))
BDBM344747
PNG
(1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-[...)
Show SMILES Fc1ccccc1-n1ncc2c(cccc12)N1CCN(Cc2nnc(o2)C2CC2)C1=O
Show InChI InChI=1S/C22H19FN6O2/c23-16-4-1-2-5-19(16)29-18-7-3-6-17(15(18)12-24-29)28-11-10-27(22(28)30)13-20-25-26-21(31-20)14-8-9-14/h1-7,12,14H,8-11,13H2
PDB

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n/an/a 538n/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...


US Patent US9783527 (2017)

More data for this
Ligand-Target Pair
fret-membrane potential nav1.7


(Homo sapiens (Human))
BDBM344725
PNG
(1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[1-(2-f...)
Show SMILES Cc1noc(C)c1CN1CCN(C1=O)c1cccc2n(ncc12)-c1ccccc1F
Show InChI InChI=1S/C22H20FN5O2/c1-14-17(15(2)30-25-14)13-26-10-11-27(22(26)29)19-8-5-9-20-16(19)12-24-28(20)21-7-4-3-6-18(21)23/h3-9,12H,10-11,13H2,1-2H3
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n/an/a 546n/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 ...


US Patent US9783527 (2017)

More data for this
Ligand-Target Pair
fret-membrane potential nav1.7


(Homo sapiens (Human))
BDBM344716
PNG
(1-{2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrro...)
Show SMILES F[C@H]1C[C@@H](N(C1)C(=O)CN1CCN(C1=O)c1cccc2n(ncc12)-c1ccccc1F)c1cc(F)ccc1F
Show InChI InChI=1S/C28H23F4N5O2/c29-17-8-9-21(31)19(12-17)26-13-18(30)15-36(26)27(38)16-34-10-11-35(28(34)39)23-6-3-7-24-20(23)14-33-37(24)25-5-2-1-4-22(25)32/h1-9,12,14,18,26H,10-11,13,15-16H2/t18-,26+/m0/s1
PDB

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n/an/a 578n/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 ...


US Patent US9783527 (2017)

More data for this
Ligand-Target Pair
fret-membrane potential nav1.7


(Homo sapiens (Human))
BDBM344936
PNG
(1-[(4,5-dimethyl-1,3- | 1-[(4,5-dimethyl-1,3-oxazo...)
Show SMILES Cc1nc(CN2CCN(C2=O)c2cccc3n(ncc23)-c2ccccc2F)oc1C
Show InChI InChI=1S/C22H20FN5O2/c1-14-15(2)30-21(25-14)13-26-10-11-27(22(26)29)18-8-5-9-19-16(18)12-24-28(19)20-7-4-3-6-17(20)23/h3-9,12H,10-11,13H2,1-2H3
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 ...


US Patent US9783527 (2017)

More data for this
Ligand-Target Pair
fret-membrane potential nav1.7


(Homo sapiens (Human))
BDBM344892
PNG
(1-(cyclopropylmethyl)-3-[1- | 1-(cyclopropylmethyl...)
Show SMILES Fc1ccccc1-n1ncc2c(cccc12)N1CCN(CC2CC2)C1=O
Show InChI InChI=1S/C20H19FN4O/c21-16-4-1-2-5-19(16)25-18-7-3-6-17(15(18)12-22-25)24-11-10-23(20(24)26)13-14-8-9-14/h1-7,12,14H,8-11,13H2
PDB

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n/an/a 613n/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 ...


US Patent US9783527 (2017)

More data for this
Ligand-Target Pair
fret-membrane potential nav1.7


(Homo sapiens (Human))
BDBM344712
PNG
(1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-{[4-(trif...)
Show SMILES Fc1ccccc1-n1ncc2c(cccc12)N1CCN(Cc2nc(cs2)C(F)(F)F)C1=O
Show InChI InChI=1S/C21H15F4N5OS/c22-14-4-1-2-5-17(14)30-16-7-3-6-15(13(16)10-26-30)29-9-8-28(20(29)31)11-19-27-18(12-32-19)21(23,24)25/h1-7,10,12H,8-9,11H2
PDB

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n/an/a 618n/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 ...


US Patent US9783527 (2017)

More data for this
Ligand-Target Pair
fret-membrane potential nav1.7


(Homo sapiens (Human))
BDBM344731
PNG
(1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-(5-methyl...)
Show SMILES Cc1cnc(nc1)N1CCN(C1=O)c1cccc2n(ncc12)-c1ccccc1F
Show InChI InChI=1S/C21H17FN6O/c1-14-11-23-20(24-12-14)27-10-9-26(21(27)29)17-7-4-8-18-15(17)13-25-28(18)19-6-3-2-5-16(19)22/h2-8,11-13H,9-10H2,1H3
PDB

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n/an/a 624n/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 ...


US Patent US9783527 (2017)

More data for this
Ligand-Target Pair
fret-membrane potential nav1.7


(Homo sapiens (Human))
BDBM344713
PNG
(1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-{2-[(2S)-...)
Show SMILES C[C@H]1CCCN1C(=O)CN1CCN(C1=O)c1cccc2n(ncc12)-c1ccccc1F
Show InChI InChI=1S/C23H24FN5O2/c1-16-6-5-11-27(16)22(30)15-26-12-13-28(23(26)31)19-9-4-10-20-17(19)14-25-29(20)21-8-3-2-7-18(21)24/h2-4,7-10,14,16H,5-6,11-13,15H2,1H3/t16-/m0/s1
PDB

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n/an/a 625n/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 ...


US Patent US9783527 (2017)

More data for this
Ligand-Target Pair
fret-membrane potential nav1.7


(Homo sapiens (Human))
BDBM344804
PNG
(1-[1-(2-fluorophenyl)-1H- | 1-[1-(2-fluorophenyl)-...)
Show SMILES Fc1ccccc1-n1ncc2c(cccc12)N1CCN(CC(=O)N2CC3CCCC3C2)C1=O
Show InChI InChI=1S/C25H26FN5O2/c26-20-7-1-2-8-23(20)31-22-10-4-9-21(19(22)13-27-31)30-12-11-28(25(30)33)16-24(32)29-14-17-5-3-6-18(17)15-29/h1-2,4,7-10,13,17-18H,3,5-6,11-12,14-16H2
PDB

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n/an/a 635n/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 ...


US Patent US9783527 (2017)

More data for this
Ligand-Target Pair
fret-membrane potential nav1.7


(Homo sapiens (Human))
BDBM344862
PNG
(1-(2-cyclobutyl-2- | 1-(2-cyclobutyl-2-oxoethyl)-3...)
Show SMILES Fc1ccccc1-n1ncc2c(cccc12)N1CCN(CC(=O)C2CCC2)C1=O
Show InChI InChI=1S/C22H21FN4O2/c23-17-7-1-2-8-20(17)27-19-10-4-9-18(16(19)13-24-27)26-12-11-25(22(26)29)14-21(28)15-5-3-6-15/h1-2,4,7-10,13,15H,3,5-6,11-12,14H2
PDB

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n/an/a 635n/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 ...


US Patent US9783527 (2017)

More data for this
Ligand-Target Pair
fret-membrane potential nav1.8


(Homo sapiens (Human))
BDBM345038
PNG
(N-(3,3-difluorocyclohexyl)- | N-(3,3-difluorocyclo...)
Show SMILES Fc1ccccc1-n1ncc2c(cccc12)N1CCN(CC(=O)NC2CCCC(F)(F)C2)C1=O
Show InChI InChI=1S/C24H24F3N5O2/c25-18-6-1-2-7-21(18)32-20-9-3-8-19(17(20)14-28-32)31-12-11-30(23(31)34)15-22(33)29-16-5-4-10-24(26,27)13-16/h1-3,6-9,14,16H,4-5,10-13,15H2,(H,29,33)
PDB

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n/an/a 637n/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...


US Patent US9783527 (2017)

More data for this
Ligand-Target Pair
fret-membrane potential nav1.7


(Homo sapiens (Human))
BDBM344734
PNG
(1-[1-(2,4-difluorophenyl)-1H-indazol-4-yl]-3-(1,3-...)
Show SMILES Fc1ccc(c(F)c1)-n1ncc2c(cccc12)N1CCN(Cc2ncco2)C1=O
Show InChI InChI=1S/C20H15F2N5O2/c21-13-4-5-18(15(22)10-13)27-17-3-1-2-16(14(17)11-24-27)26-8-7-25(20(26)28)12-19-23-6-9-29-19/h1-6,9-11H,7-8,12H2
PDB

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n/an/a 643n/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 ...


US Patent US9783527 (2017)

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