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Patent code US10836758

Compile Data Set for Download or QSAR
Found 75 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50237517
PNG
(CHEMBL4078268 | US10836758, Example 20)
Show SMILES N[C@H]1CC[C@@H](CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)CC1
Show InChI InChI=1S/C16H20ClFN4O2S2/c17-12-7-15(26(23,24)22-16-20-5-6-25-16)13(18)8-14(12)21-9-10-1-3-11(19)4-2-10/h5-8,10-11,21H,1-4,9,19H2,(H,20,22)/t10-,11+
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n/an/a 7n/an/an/an/an/an/a



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM472970
PNG
(US10836758, Example 59)
Show SMILES NC1CCC(CCOc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H23ClF2N4O3S2/c23-15-3-1-14(2-4-15)22(7-5-16(26)6-8-22)9-10-32-19-11-18(25)20(12-17(19)24)34(30,31)29-21-27-13-28-33-21/h1-4,11-13,16H,5-10,26H2,(H,27,28,29)
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n/an/a 8n/an/an/an/an/an/a



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM50237522
PNG
(CHEMBL4060154 | US10836758, Example 17)
Show SMILES N[C@H]1CC[C@@H](CCNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)CC1
Show InChI InChI=1S/C17H22ClFN4O2S2/c18-13-9-16(27(24,25)23-17-22-7-8-26-17)14(19)10-15(13)21-6-5-11-1-3-12(20)4-2-11/h7-12,21H,1-6,20H2,(H,22,23)/t11-,12+
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n/an/a 9n/an/an/an/an/an/a



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM472965
PNG
(55 | US10836758, Example 54)
Show SMILES NC1CCC(CCNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)(CC1)c1ccccc1
Show InChI InChI=1S/C23H26ClFN4O2S2/c24-18-14-21(33(30,31)29-22-28-12-13-32-22)19(25)15-20(18)27-11-10-23(8-6-17(26)7-9-23)16-4-2-1-3-5-16/h1-5,12-15,17,27H,6-11,26H2,(H,28,29)
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n/an/a 9n/an/an/an/an/an/a



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM472962
PNG
(US10836758, Example 51)
Show SMILES NC1CCC(CCOc2cc(F)c(cc2Cl)S(=O)(=O)Nc2ncns2)(CC1)c1ccccc1
Show InChI InChI=1S/C22H24ClFN4O3S2/c23-17-12-20(33(29,30)28-21-26-14-27-32-21)18(24)13-19(17)31-11-10-22(8-6-16(25)7-9-22)15-4-2-1-3-5-15/h1-5,12-14,16H,6-11,25H2,(H,26,27,28)
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n/an/a 10n/an/an/an/an/an/a



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM50237518
PNG
(CHEMBL4076444 | US10836758, Example 4)
Show SMILES Fc1cc(NCCC2CCCCN2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C16H20ClFN4O2S2/c17-12-9-15(26(23,24)22-16-21-7-8-25-16)13(18)10-14(12)20-6-4-11-3-1-2-5-19-11/h7-11,19-20H,1-6H2,(H,21,22)
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n/an/a 10n/an/an/an/an/an/a



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM50237526
PNG
(CHEMBL4092078 | US10836758, Example 12)
Show SMILES Fc1cc(NCC2(CN3CCCC3)CC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C18H22ClFN4O2S2/c19-13-9-16(28(25,26)23-17-21-5-8-27-17)14(20)10-15(13)22-11-18(3-4-18)12-24-6-1-2-7-24/h5,8-10,22H,1-4,6-7,11-12H2,(H,21,23)
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n/an/a 11n/an/an/an/an/an/a



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM50237525
PNG
(CHEMBL4078252 | US10836758, Example 2)
Show SMILES Fc1cc(NCCC2CCCNC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C16H20ClFN4O2S2/c17-12-8-15(26(23,24)22-16-21-6-7-25-16)13(18)9-14(12)20-5-3-11-2-1-4-19-10-11/h6-9,11,19-20H,1-5,10H2,(H,21,22)
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n/an/a 12n/an/an/an/an/an/a



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM472941
PNG
(US10836758, Example /30)
Show SMILES CC1CC(C)(C)C(CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)C1N
Show InChI InChI=1S/C18H24ClFN4O2S2/c1-10-8-18(2,3)11(16(10)21)9-23-14-7-13(20)15(6-12(14)19)28(25,26)24-17-22-4-5-27-17/h4-7,10-11,16,23H,8-9,21H2,1-3H3,(H,22,24)
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n/an/a 12n/an/an/an/an/an/a



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM472942
PNG
(US10836758, Example 31)
Show SMILES NC1CCCC1CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C15H18ClFN4O2S2/c16-10-6-14(25(22,23)21-15-19-4-5-24-15)11(17)7-13(10)20-8-9-2-1-3-12(9)18/h4-7,9,12,20H,1-3,8,18H2,(H,19,21)
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n/an/a 12n/an/an/an/an/an/a



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM50237516
PNG
(CHEMBL4080712 | US10836758, Example 18)
Show SMILES N[C@H]1CC[C@H](CCNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)CC1
Show InChI InChI=1S/C17H22ClFN4O2S2/c18-13-9-16(27(24,25)23-17-22-7-8-26-17)14(19)10-15(13)21-6-5-11-1-3-12(20)4-2-11/h7-12,21H,1-6,20H2,(H,22,23)/t11-,12-
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n/an/a 14n/an/an/an/an/an/a



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM472960
PNG
(50 | US10836758, Example 49)
Show SMILES NC1CCC(CCOc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)(CC1)c1ccccc1
Show InChI InChI=1S/C22H24F2N4O3S2/c23-17-13-20(33(29,30)28-21-26-14-27-32-21)18(24)12-19(17)31-11-10-22(8-6-16(25)7-9-22)15-4-2-1-3-5-15/h1-5,12-14,16H,6-11,25H2,(H,26,27,28)
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n/an/a 15n/an/an/an/an/an/a



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM472934
PNG
(US10836758, Example 23)
Show SMILES CNC1CCC(CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)CC1
Show InChI InChI=1S/C17H22ClFN4O2S2/c1-20-12-4-2-11(3-5-12)10-22-15-9-14(19)16(8-13(15)18)27(24,25)23-17-21-6-7-26-17/h6-9,11-12,20,22H,2-5,10H2,1H3,(H,21,23)
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n/an/a 16n/an/an/an/an/an/a



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM50237499
PNG
(CHEMBL4076627 | US10836758, Example 19)
Show SMILES N[C@H]1CC[C@@H](CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2ncns2)CC1
Show InChI InChI=1S/C15H19ClFN5O2S2/c16-11-5-14(26(23,24)22-15-20-8-21-25-15)12(17)6-13(11)19-7-9-1-3-10(18)4-2-9/h5-6,8-10,19H,1-4,7,18H2,(H,20,21,22)/t9-,10+
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n/an/a 16n/an/an/an/an/an/a



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM50237508
PNG
(CHEMBL4071098 | US10836758, Example 13)
Show SMILES Fc1cc(NCCC2CCNC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C15H18ClFN4O2S2/c16-11-7-14(25(22,23)21-15-20-5-6-24-15)12(17)8-13(11)19-4-2-10-1-3-18-9-10/h5-8,10,18-19H,1-4,9H2,(H,20,21)
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n/an/a 17n/an/an/an/an/an/a



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM50237520
PNG
(CHEMBL4088581 | US10836758, Example 3)
Show SMILES Fc1cc(NCCC2CCCCN2)c(Cl)cc1S(=O)(=O)Nc1ncns1
Show InChI InChI=1S/C15H19ClFN5O2S2/c16-11-7-14(26(23,24)22-15-20-9-21-25-15)12(17)8-13(11)19-6-4-10-3-1-2-5-18-10/h7-10,18-19H,1-6H2,(H,20,21,22)
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n/an/a 21n/an/an/an/an/an/a



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM472937
PNG
(US10836758, Example 26)
Show SMILES Fc1cc(NCC2CCC(CC2)N2CCOCC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C20H26ClFN4O3S2/c21-16-11-19(31(27,28)25-20-23-5-10-30-20)17(22)12-18(16)24-13-14-1-3-15(4-2-14)26-6-8-29-9-7-26/h5,10-12,14-15,24H,1-4,6-9,13H2,(H,23,25)
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n/an/a 27n/an/an/an/an/an/a



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM472939
PNG
(US10836758, Example 28)
Show SMILES NC1CCCC(C1)Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C15H18ClFN4O2S2/c16-11-7-14(25(22,23)21-15-19-4-5-24-15)12(17)8-13(11)20-10-3-1-2-9(18)6-10/h4-5,7-10,20H,1-3,6,18H2,(H,19,21)
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n/an/a 27n/an/an/an/an/an/a



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM472943
PNG
(US10836758, Example 32)
Show SMILES NCC1CCCC(CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)C1
Show InChI InChI=1S/C17H22ClFN4O2S2/c18-13-7-16(27(24,25)23-17-21-4-5-26-17)14(19)8-15(13)22-10-12-3-1-2-11(6-12)9-20/h4-5,7-8,11-12,22H,1-3,6,9-10,20H2,(H,21,23)
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n/an/a 28n/an/an/an/an/an/a



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM50237509
PNG
(CHEMBL4103940 | US10836758, Example 16)
Show SMILES Fc1cc(NCCC2CNC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C14H16ClFN4O2S2/c15-10-5-13(24(21,22)20-14-19-3-4-23-14)11(16)6-12(10)18-2-1-9-7-17-8-9/h3-6,9,17-18H,1-2,7-8H2,(H,19,20)
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n/an/a 29n/an/an/an/an/an/a



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM472958
PNG
(US10836758, Example 47)
Show SMILES Fc1cc(ccc1Cl)C1(CCOc2cc(F)c(cc2Cl)S(=O)(=O)Nc2ncns2)CCNCC1
Show InChI InChI=1S/C21H20Cl2F2N4O3S2/c22-14-2-1-13(9-16(14)24)21(3-6-26-7-4-21)5-8-32-18-11-17(25)19(10-15(18)23)34(30,31)29-20-27-12-28-33-20/h1-2,9-12,26H,3-8H2,(H,27,28,29)
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n/an/a 33n/an/an/an/an/an/a



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM50261096
PNG
(CHEMBL4075332 | US10836758, Example 73)
Show SMILES Fc1cc(NCCC2CCS(=O)(=O)CC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C16H19ClFN3O4S3/c17-12-9-15(28(24,25)21-16-20-5-6-26-16)13(18)10-14(12)19-4-1-11-2-7-27(22,23)8-3-11/h5-6,9-11,19H,1-4,7-8H2,(H,20,21)
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BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM472956
PNG
(US10836758, Example 45)
Show SMILES Fc1cc(OCCC2(CCNCC2)c2ccc(Cl)cc2)c(Cl)cc1S(=O)(=O)Nc1ncns1
Show InChI InChI=1S/C21H21Cl2FN4O3S2/c22-15-3-1-14(2-4-15)21(5-8-25-9-6-21)7-10-31-18-12-17(24)19(11-16(18)23)33(29,30)28-20-26-13-27-32-20/h1-4,11-13,25H,5-10H2,(H,26,27,28)
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BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM472938
PNG
(US10836758, Example 27)
Show SMILES CN1CCN(CC1)C1CCC(CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)CC1
Show InChI InChI=1S/C21H29ClFN5O2S2/c1-27-7-9-28(10-8-27)16-4-2-15(3-5-16)14-25-19-13-18(23)20(12-17(19)22)32(29,30)26-21-24-6-11-31-21/h6,11-13,15-16,25H,2-5,7-10,14H2,1H3,(H,24,26)
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BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM472986
PNG
(US10836758, Example 75)
Show SMILES ON1CCCCC1CCNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C16H20ClFN4O3S2/c17-12-9-15(27(24,25)21-16-20-6-8-26-16)13(18)10-14(12)19-5-4-11-3-1-2-7-22(11)23/h6,8-11,19,23H,1-5,7H2,(H,20,21)
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BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM50237532
PNG
(CHEMBL4096299 | US10836758, Example 1)
Show SMILES Fc1cc(NCCC2CCNCC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C16H20ClFN4O2S2/c17-12-9-15(26(23,24)22-16-21-7-8-25-16)13(18)10-14(12)20-6-3-11-1-4-19-5-2-11/h7-11,19-20H,1-6H2,(H,21,22)
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BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM472936
PNG
(US10836758, Example 25)
Show SMILES Fc1cc(NCC2CCC(CC2)N2CCC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C19H24ClFN4O2S2/c20-15-10-18(29(26,27)24-19-22-6-9-28-19)16(21)11-17(15)23-12-13-2-4-14(5-3-13)25-7-1-8-25/h6,9-11,13-14,23H,1-5,7-8,12H2,(H,22,24)
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BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM50261088
PNG
(CHEMBL4094490 | US10836758, Example 72)
Show SMILES Fc1cc(NCCC2CCCOC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C16H19ClFN3O3S2/c17-12-8-15(26(22,23)21-16-20-5-7-25-16)13(18)9-14(12)19-4-3-11-2-1-6-24-10-11/h5,7-9,11,19H,1-4,6,10H2,(H,20,21)
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BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM472972
PNG
(62 | US10836758, Example 61)
Show SMILES NC1CCC(COc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)(Cc2ccc(Cl)c(F)c2)CC1
Show InChI InChI=1S/C22H22ClF3N4O3S2/c23-15-2-1-13(7-16(15)24)10-22(5-3-14(27)4-6-22)11-33-19-8-18(26)20(9-17(19)25)35(31,32)30-21-28-12-29-34-21/h1-2,7-9,12,14H,3-6,10-11,27H2,(H,28,29,30)
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BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM472973
PNG
(US10836758, Example 62)
Show SMILES NC1CCC(COc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)(Cc2ccc(Cl)c(F)c2)CC1
Show InChI InChI=1S/C22H22ClF3N4O3S2/c23-15-2-1-13(7-16(15)24)10-22(5-3-14(27)4-6-22)11-33-19-8-18(26)20(9-17(19)25)35(31,32)30-21-28-12-29-34-21/h1-2,7-9,12,14H,3-6,10-11,27H2,(H,28,29,30)
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BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM472933
PNG
(US10836758, Example 22)
Show SMILES Fc1cc(NCC2CCC(CC2)NC2CC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C19H24ClFN4O2S2/c20-15-9-18(29(26,27)25-19-22-7-8-28-19)16(21)10-17(15)23-11-12-1-3-13(4-2-12)24-14-5-6-14/h7-10,12-14,23-24H,1-6,11H2,(H,22,25)
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BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM472920
PNG
(US10836758, Example 9)
Show SMILES Fc1cc(NCC2CCCOC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C15H17ClFN3O3S2/c16-11-6-14(25(21,22)20-15-18-3-5-24-15)12(17)7-13(11)19-8-10-2-1-4-23-9-10/h3,5-7,10,19H,1-2,4,8-9H2,(H,18,20)
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BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM472963
PNG
(US10836758, Example 52)
Show SMILES CNC1CCC(CCOc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)(CC1)c1ccccc1
Show InChI InChI=1S/C23H26F2N4O3S2/c1-26-17-7-9-23(10-8-17,16-5-3-2-4-6-16)11-12-32-20-13-19(25)21(14-18(20)24)34(30,31)29-22-27-15-28-33-22/h2-6,13-15,17,26H,7-12H2,1H3,(H,27,28,29)
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BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM50237514
PNG
(CHEMBL4089010 | US10836758, Example 6)
Show SMILES Fc1cc(NCC2CNCCO2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C14H16ClFN4O3S2/c15-10-5-13(25(21,22)20-14-18-2-4-24-14)11(16)6-12(10)19-8-9-7-17-1-3-23-9/h2,4-6,9,17,19H,1,3,7-8H2,(H,18,20)
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BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM472974
PNG
(US10836758, Example 63)
Show SMILES CNC1CCC(COc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)(Cc2ccc(Cl)c(F)c2)CC1
Show InChI InChI=1S/C23H24ClF3N4O3S2/c1-28-15-4-6-23(7-5-15,11-14-2-3-16(24)17(25)8-14)12-34-20-9-19(27)21(10-18(20)26)36(32,33)31-22-29-13-30-35-22/h2-3,8-10,13,15,28H,4-7,11-12H2,1H3,(H,29,30,31)
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BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM472935
PNG
(US10836758, Example 24)
Show SMILES CN(C)C1CCC(CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)CC1
Show InChI InChI=1S/C18H24ClFN4O2S2/c1-24(2)13-5-3-12(4-6-13)11-22-16-10-15(20)17(9-14(16)19)28(25,26)23-18-21-7-8-27-18/h7-10,12-13,22H,3-6,11H2,1-2H3,(H,21,23)
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BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM50237512
PNG
(CHEMBL4091922 | US10836758, Example 5)
Show SMILES CN1CCC(CCNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)CC1
Show InChI InChI=1S/C17H22ClFN4O2S2/c1-23-7-3-12(4-8-23)2-5-20-15-11-14(19)16(10-13(15)18)27(24,25)22-17-21-6-9-26-17/h6,9-12,20H,2-5,7-8H2,1H3,(H,21,22)
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BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM472940
PNG
(US10836758, Example 29)
Show SMILES NC1(CCNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)CCCCC1
Show InChI InChI=1S/C17H22ClFN4O2S2/c18-12-10-15(27(24,25)23-16-22-8-9-26-16)13(19)11-14(12)21-7-6-17(20)4-2-1-3-5-17/h8-11,21H,1-7,20H2,(H,22,23)
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BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM50261075
PNG
(CHEMBL4087220 | US10836758, Example 7)
Show SMILES Fc1cc(NCC2COCCO2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C14H15ClFN3O4S2/c15-10-5-13(25(20,21)19-14-17-1-4-24-14)11(16)6-12(10)18-7-9-8-22-2-3-23-9/h1,4-6,9,18H,2-3,7-8H2,(H,17,19)
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BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM472967
PNG
(57 | US10836758, Example 56)
Show SMILES CC1(CCOc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)CCC(N)CC1
Show InChI InChI=1S/C17H22F2N4O3S2/c1-17(4-2-11(20)3-5-17)6-7-26-14-8-13(19)15(9-12(14)18)28(24,25)23-16-21-10-22-27-16/h8-11H,2-7,20H2,1H3,(H,21,22,23)
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BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM472976
PNG
(US10836758, Example 65)
Show SMILES Fc1cc(NC2CCC3CNCC23)c(Cl)cc1S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C16H18ClFN4O2S2/c17-11-5-15(26(23,24)22-16-20-3-4-25-16)12(18)6-14(11)21-13-2-1-9-7-19-8-10(9)13/h3-6,9-10,13,19,21H,1-2,7-8H2,(H,20,22)
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BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM472946
PNG
(US10836758, Example 35)
Show SMILES OC1(CCNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)CCCC1
Show InChI InChI=1S/C16H19ClFN3O3S2/c17-11-9-14(26(23,24)21-15-20-7-8-25-15)12(18)10-13(11)19-6-5-16(22)3-1-2-4-16/h7-10,19,22H,1-6H2,(H,20,21)
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BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM472964
PNG
(US10836758, Example 53)
Show SMILES Fc1cc(c(F)cc1OCCC1(CCC(CC1)NC1CC1)c1ccccc1)S(=O)(=O)Nc1ncns1
Show InChI InChI=1S/C25H28F2N4O3S2/c26-20-15-23(36(32,33)31-24-28-16-29-35-24)21(27)14-22(20)34-13-12-25(17-4-2-1-3-5-17)10-8-19(9-11-25)30-18-6-7-18/h1-5,14-16,18-19,30H,6-13H2,(H,28,29,31)
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BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM472952
PNG
(US10836758, Example 41)
Show SMILES Fc1cc(NCC23CCOC2OCC3)c(Cl)cc1S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C16H17ClFN3O4S2/c17-10-7-13(27(22,23)21-15-19-3-6-26-15)11(18)8-12(10)20-9-16-1-4-24-14(16)25-5-2-16/h3,6-8,14,20H,1-2,4-5,9H2,(H,19,21)
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BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM472957
PNG
(US10836758, Example 46)
Show SMILES Fc1cc(ccc1Cl)C1(CCOc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)CCNCC1
Show InChI InChI=1S/C21H20ClF3N4O3S2/c22-14-2-1-13(9-15(14)23)21(3-6-26-7-4-21)5-8-32-18-10-17(25)19(11-16(18)24)34(30,31)29-20-27-12-28-33-20/h1-2,9-12,26H,3-8H2,(H,27,28,29)
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BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM472959
PNG
(US10836758, Example 48)
Show SMILES OC1CCC(CCOc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)(CC1)c1ccccc1
Show InChI InChI=1S/C22H23F2N3O4S2/c23-17-13-20(33(29,30)27-21-25-14-26-32-21)18(24)12-19(17)31-11-10-22(8-6-16(28)7-9-22)15-4-2-1-3-5-15/h1-5,12-14,16,28H,6-11H2,(H,25,26,27)
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BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM50261129
PNG
(CHEMBL4064762 | US10836758, Example 71)
Show SMILES Fc1cc(NCCC2CCOCC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C16H19ClFN3O3S2/c17-12-9-15(26(22,23)21-16-20-5-8-25-16)13(18)10-14(12)19-4-1-11-2-6-24-7-3-11/h5,8-11,19H,1-4,6-7H2,(H,20,21)
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BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM50237504
PNG
(CHEMBL4067455 | US10836758, Example 44)
Show SMILES Fc1cc(c(F)cc1OCCC1(CCNCC1)c1ccc(Cl)cc1)S(=O)(=O)Nc1ncns1
Show InChI InChI=1S/C21H21ClF2N4O3S2/c22-15-3-1-14(2-4-15)21(5-8-25-9-6-21)7-10-31-18-11-17(24)19(12-16(18)23)33(29,30)28-20-26-13-27-32-20/h1-4,11-13,25H,5-10H2,(H,26,27,28)
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BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM50261137
PNG
(CHEMBL4102647 | US10836758, Example 11)
Show SMILES Fc1cc(NCC2CCOCC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C15H17ClFN3O3S2/c16-11-7-14(25(21,22)20-15-18-3-6-24-15)12(17)8-13(11)19-9-10-1-4-23-5-2-10/h3,6-8,10,19H,1-2,4-5,9H2,(H,18,20)
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BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM50261122
PNG
(CHEMBL4073353 | US10836758, Example 37)
Show SMILES Fc1cc(NCCCC2CCOC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C16H19ClFN3O3S2/c17-12-8-15(26(22,23)21-16-20-5-7-25-16)13(18)9-14(12)19-4-1-2-11-3-6-24-10-11/h5,7-9,11,19H,1-4,6,10H2,(H,20,21)
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BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM472925
PNG
(US10836758, Example 14 | US10836758, Example 68)
Show SMILES COCCN1CCCC1CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C17H22ClFN4O3S2/c1-26-7-6-23-5-2-3-12(23)11-21-15-10-14(19)16(9-13(15)18)28(24,25)22-17-20-4-8-27-17/h4,8-10,12,21H,2-3,5-7,11H2,1H3,(H,20,22)
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BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM472925
PNG
(US10836758, Example 14 | US10836758, Example 68)
Show SMILES COCCN1CCCC1CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C17H22ClFN4O3S2/c1-26-7-6-23-5-2-3-12(23)11-21-15-10-14(19)16(9-13(15)18)28(24,25)22-17-20-4-8-27-17/h4,8-10,12,21H,2-3,5-7,11H2,1H3,(H,20,22)
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BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM472985
PNG
(US10836758, Example 74)
Show SMILES OC1CCCC(CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)C1
Show InChI InChI=1S/C16H19ClFN3O3S2/c17-12-7-15(26(23,24)21-16-19-4-5-25-16)13(18)8-14(12)20-9-10-2-1-3-11(22)6-10/h4-5,7-8,10-11,20,22H,1-3,6,9H2,(H,19,21)
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BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM472944
PNG
(US10836758, Example 33 | US10836758, Example 34)
Show SMILES OC1CCC(CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)CC1
Show InChI InChI=1S/C16H19ClFN3O3S2/c17-12-7-15(26(23,24)21-16-19-5-6-25-16)13(18)8-14(12)20-9-10-1-3-11(22)4-2-10/h5-8,10-11,20,22H,1-4,9H2,(H,19,21)
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BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM472966
PNG
(US10836758, Example 55)
Show SMILES NC1CCC(CCNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)(CC1)c1ccccc1
Show InChI InChI=1S/C23H26ClFN4O2S2/c24-18-14-21(33(30,31)29-22-28-12-13-32-22)19(25)15-20(18)27-11-10-23(8-6-17(26)7-9-23)16-4-2-1-3-5-16/h1-5,12-15,17,27H,6-11,26H2,(H,28,29)
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BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM472919
PNG
(US10836758, Example 8)
Show SMILES Fc1cc(NCC2(CN3CCOCC3)CC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C18H22ClFN4O3S2/c19-13-9-16(29(25,26)23-17-21-3-8-28-17)14(20)10-15(13)22-11-18(1-2-18)12-24-4-6-27-7-5-24/h3,8-10,22H,1-2,4-7,11-12H2,(H,21,23)
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BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM50261121
PNG
(CHEMBL4101414 | US10836758, Example 38)
Show SMILES Fc1cc(NCC2CCOC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C14H15ClFN3O3S2/c15-10-5-13(24(20,21)19-14-17-2-4-23-14)11(16)6-12(10)18-7-9-1-3-22-8-9/h2,4-6,9,18H,1,3,7-8H2,(H,17,19)
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BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM472947
PNG
(US10836758, Example 36)
Show SMILES Fc1cc(N[C@@H]2CC[C@H](Cl)CC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C15H16Cl2FN3O2S2/c16-9-1-3-10(4-2-9)20-13-8-12(18)14(7-11(13)17)25(22,23)21-15-19-5-6-24-15/h5-10,20H,1-4H2,(H,19,21)/t9-,10+
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BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM472950
PNG
(US10836758, Example 39)
Show SMILES Fc1cc(NCCC2CCCO2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C15H17ClFN3O3S2/c16-11-8-14(25(21,22)20-15-19-5-7-24-15)12(17)9-13(11)18-4-3-10-2-1-6-23-10/h5,7-10,18H,1-4,6H2,(H,19,20)
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BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM50261074
PNG
(CHEMBL4092463 | US10836758, Example 10)
Show SMILES Fc1cc(NCC2CCCCO2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C15H17ClFN3O3S2/c16-11-7-14(25(21,22)20-15-18-4-6-24-15)12(17)8-13(11)19-9-10-3-1-2-5-23-10/h4,6-8,10,19H,1-3,5,9H2,(H,18,20)
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BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM50261071
PNG
(CHEMBL4100208 | US10836758, Example 40)
Show SMILES Fc1cc(NCC2CCCO2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C14H15ClFN3O3S2/c15-10-6-13(24(20,21)19-14-17-3-5-23-14)11(16)7-12(10)18-8-9-2-1-4-22-9/h3,5-7,9,18H,1-2,4,8H2,(H,17,19)
PDB

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BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM472978
PNG
(US10836758, Example 67)
Show SMILES Fc1cc(N2CCC3CCNCC3C2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C17H20ClFN4O2S2/c18-13-7-16(27(24,25)22-17-21-4-6-26-17)14(19)8-15(13)23-5-2-11-1-3-20-9-12(11)10-23/h4,6-8,11-12,20H,1-3,5,9-10H2,(H,21,22)
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BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM50237510
PNG
(CHEMBL4062380 | US10836758, Example 43)
Show SMILES Fc1cc(NC[C@@H]2CCCNC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C15H18ClFN4O2S2/c16-11-6-14(25(22,23)21-15-19-4-5-24-15)12(17)7-13(11)20-9-10-2-1-3-18-8-10/h4-7,10,18,20H,1-3,8-9H2,(H,19,21)/t10-/m1/s1
PDB

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BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM472975
PNG
(US10836758, Example 64)
Show SMILES OC1CCC(COc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)(Cc2ccc(Cl)c(F)c2)CC1
Show InChI InChI=1S/C22H21ClF3N3O4S2/c23-15-2-1-13(7-16(15)24)10-22(5-3-14(30)4-6-22)11-33-19-8-18(26)20(9-17(19)25)35(31,32)29-21-27-12-28-34-21/h1-2,7-9,12,14,30H,3-6,10-11H2,(H,27,28,29)
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BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM472953
PNG
(US10836758, Example 42)
Show SMILES CC1(O)CC(CC(C)(O)N1O)Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C16H20ClFN4O5S2/c1-15(23)7-9(8-16(2,24)22(15)25)20-12-6-11(18)13(5-10(12)17)29(26,27)21-14-19-3-4-28-14/h3-6,9,20,23-25H,7-8H2,1-2H3,(H,19,21)
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BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM472977
PNG
(US10836758, Example 66)
Show SMILES Fc1cc(N2CCCC(C2)C2CCNCC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C19H24ClFN4O2S2/c20-15-10-18(29(26,27)24-19-23-7-9-28-19)16(21)11-17(15)25-8-1-2-14(12-25)13-3-5-22-6-4-13/h7,9-11,13-14,22H,1-6,8,12H2,(H,23,24)
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n/an/a 291n/an/an/an/an/an/a



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM472971
PNG
(US10836758, Example 60)
Show SMILES NC1CCC(CCOc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)CC1
Show InChI InChI=1S/C16H20F2N4O3S2/c17-12-8-15(27(23,24)22-16-20-9-21-26-16)13(18)7-14(12)25-6-5-10-1-3-11(19)4-2-10/h7-11H,1-6,19H2,(H,20,21,22)
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n/an/a 367n/an/an/an/an/an/a



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM472944
PNG
(US10836758, Example 33 | US10836758, Example 34)
Show SMILES OC1CCC(CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)CC1
Show InChI InChI=1S/C16H19ClFN3O3S2/c17-12-7-15(26(23,24)21-16-19-5-6-25-16)13(18)8-14(12)20-9-10-1-3-11(22)4-2-10/h5-8,10-11,20,22H,1-4,9H2,(H,19,21)
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n/an/a 380n/an/an/an/an/an/a



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM472968
PNG
(US10836758, Example 57)
Show SMILES CC1(CCOc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)CCC(N)CC1
Show InChI InChI=1S/C17H22F2N4O3S2/c1-17(4-2-11(20)3-5-17)6-7-26-14-8-13(19)15(9-12(14)18)28(24,25)23-16-21-10-22-27-16/h8-11H,2-7,20H2,1H3,(H,21,22,23)
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n/an/a 383n/an/an/an/an/an/a



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM472969
PNG
(US10836758, Example 58)
Show SMILES NC1CCC(CCOc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H23ClF2N4O3S2/c23-15-3-1-14(2-4-15)22(7-5-16(26)6-8-22)9-10-32-19-11-18(25)20(12-17(19)24)34(30,31)29-21-27-13-28-33-21/h1-4,11-13,16H,5-10,26H2,(H,27,28,29)
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n/an/a 389n/an/an/an/an/an/a



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM50237501
PNG
(CHEMBL4071551 | US10836758, Example 15)
Show SMILES Fc1cc(NCC2CNC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C13H14ClFN4O2S2/c14-9-3-12(23(20,21)19-13-17-1-2-22-13)10(15)4-11(9)18-7-8-5-16-6-8/h1-4,8,16,18H,5-7H2,(H,17,19)
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n/an/a 394n/an/an/an/an/an/a



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM50237519
PNG
(CHEMBL4097237 | US10836758, Example 21)
Show SMILES N[C@H]1CC[C@H](CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)CC1
Show InChI InChI=1S/C16H20ClFN4O2S2/c17-12-7-15(26(23,24)22-16-20-5-6-25-16)13(18)8-14(12)21-9-10-1-3-11(19)4-2-10/h5-8,10-11,21H,1-4,9,19H2,(H,20,22)/t10-,11-
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n/an/a 398n/an/an/an/an/an/a



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM472961
PNG
(US10836758, Example 50)
Show SMILES NC1CCC(CCOc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)(CC1)c1ccccc1
Show InChI InChI=1S/C22H24F2N4O3S2/c23-17-13-20(33(29,30)28-21-26-14-27-32-21)18(24)12-19(17)31-11-10-22(8-6-16(25)7-9-22)15-4-2-1-3-5-15/h1-5,12-14,16H,6-11,25H2,(H,26,27,28)
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n/an/a 473n/an/an/an/an/an/a



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM472980
PNG
(US10836758, Example 69)
Show SMILES COCC1CCN(C1)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C15H17ClFN3O3S2/c1-23-9-10-2-4-20(8-10)13-7-12(17)14(6-11(13)16)25(21,22)19-15-18-3-5-24-15/h3,5-7,10H,2,4,8-9H2,1H3,(H,18,19)
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n/an/a 568n/an/an/an/an/an/a



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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


(Homo sapiens (Human))
BDBM472981
PNG
(US10836758, Example 70)
Show SMILES OCC1CCN(C1)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C14H15ClFN3O3S2/c15-10-5-13(24(21,22)18-14-17-2-4-23-14)11(16)6-12(10)19-3-1-9(7-19)8-20/h2,4-6,9,20H,1,3,7-8H2,(H,17,18)
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n/an/a 806n/an/an/an/an/an/a



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)

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