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Compile Data Set for Download or QSAR

Found 665 hits with Last Name = 'lindgren' and Initial = 'a'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50568138
PNG
(CHEMBL4854735)
Show SMILES Fc1cccc(NS(=O)(=O)c2cc(F)c(O[C@H]3CCN(CC(F)(F)F)C[C@@H]3c3ccc(F)c(F)c3)c(F)c2)n1 |r|
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KEGG

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370n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]BNZA from Nav1.5 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128133
BindingDB Entry DOI: 10.7270/Q2CJ8J7B
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50568135
PNG
(CHEMBL4849813)
Show SMILES Fc1cccc(NS(=O)(=O)c2cc(F)c(OC3CCN(CC(F)(F)F)CC3c3ccc(F)c(F)c3)cc2F)n1
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KEGG

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2.02E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]BNZA from Nav1.5 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128133
BindingDB Entry DOI: 10.7270/Q2CJ8J7B
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145281
PNG
(US8952169, 60 | US9771376, Example 60)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F |TLB:25:16:23:19.20.21,THB:15:16:23:19.20.21,25:20:23:16.24.17,24:16:19:23.22.21,24:22:19:16.25.17|
Show InChI InChI=1S/C22H28FNO4S/c1-29(26,27)24-21(25)18-7-17(16-2-3-16)20(8-19(18)23)28-12-22-9-13-4-14(10-22)6-15(5-13)11-22/h7-8,13-16H,2-6,9-12H2,1H3,(H,24,25)
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KEGG

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n/an/a 0.300n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type 7 subunit alpha


(Homo sapiens (Human))
BDBM145285
PNG
(US8952169, 64 | US9771376, Example 64)
Show SMILES Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1 |TLB:5:6:9:13.12.11,15:6:13:9.10.11,THB:15:10:13:6.14.7,14:6:9:13.12.11,14:12:9:6.15.7|
Show InChI InChI=1S/C24H31FN2O4S/c25-21-10-22(31-14-24-11-15-6-16(12-24)8-17(7-15)13-24)19(18-2-3-18)9-20(21)23(28)26-32(29,30)27-4-1-5-27/h9-10,15-18H,1-8,11-14H2,(H,26,28)
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n/an/a 0.400n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length human Nav1.7 expressed in HEK cells by whole cell voltage clamp analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00049
BindingDB Entry DOI: 10.7270/Q2WW7NKS
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145591
PNG
(US8952169, 389)
Show SMILES CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CCC2(CC2)CC1
Show InChI InChI=1S/C23H30FNO4S/c1-22(6-8-23(9-7-22)10-11-23)14-29-20-13-19(24)18(12-17(20)15-2-3-15)21(26)25-30(27,28)16-4-5-16/h12-13,15-16H,2-11,14H2,1H3,(H,25,26)
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KEGG

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n/an/a 0.600n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type 7 subunit alpha


(Homo sapiens (Human))
BDBM70937
PNG
(US9546164, 100 | US9694002, 100)
Show SMILES C[C@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1S/C25H29Cl2FN2O4S/c1-15(18-9-19(26)11-20(27)10-18)30-7-5-16(6-8-30)14-34-24-13-23(28)22(12-21(24)17-3-4-17)25(31)29-35(2,32)33/h9-13,15-17H,3-8,14H2,1-2H3,(H,29,31)/t15-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length human Nav1.7 expressed in HEK cells by whole cell voltage clamp analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00049
BindingDB Entry DOI: 10.7270/Q2WW7NKS
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM47139
PNG
(US8952169, 175 | US8952169, 295)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCCCC2)cc1F
Show InChI InChI=1S/C18H24FNO4S/c1-25(22,23)20-18(21)15-9-14(13-7-8-13)17(10-16(15)19)24-11-12-5-3-2-4-6-12/h9-10,12-13H,2-8,11H2,1H3,(H,20,21)
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KEGG

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n/an/a 0.700n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type 7 subunit alpha


(Homo sapiens (Human))
BDBM71064
PNG
(US9546164, 209 | US9694002, 209)
Show SMILES CC(C)(N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C26H31Cl2FN2O4S/c1-26(2,18-10-19(27)12-20(28)11-18)31-8-6-16(7-9-31)15-35-24-14-23(29)22(13-21(24)17-4-5-17)25(32)30-36(3,33)34/h10-14,16-17H,4-9,15H2,1-3H3,(H,30,32)
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n/an/a 0.800n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]GX-545 Nav1.7 (unknown origin) expressed in HEK cells by liquid scintillation counting based radioligand competition assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00049
BindingDB Entry DOI: 10.7270/Q2WW7NKS
More data for this
Ligand-Target Pair
Sodium channel protein type 7 subunit alpha


(Homo sapiens (Human))
BDBM145369
PNG
(US8952169, 148 | US9771376, Example 148)
Show SMILES Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1 |TLB:15:6:13:9.10.11,THB:5:6:13:9.10.11,15:10:13:6.14.7,14:6:9:13.12.11,14:12:9:6.15.7|
Show InChI InChI=1S/C24H30FNO4S/c25-21-9-22(30-13-24-10-14-5-15(11-24)7-16(6-14)12-24)19(17-1-2-17)8-20(21)23(27)26-31(28,29)18-3-4-18/h8-9,14-18H,1-7,10-13H2,(H,26,27)
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n/an/a 1.10n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]GX-545 Nav1.7 (unknown origin) expressed in HEK cells by liquid scintillation counting based radioligand competition assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00049
BindingDB Entry DOI: 10.7270/Q2WW7NKS
More data for this
Ligand-Target Pair
Sodium channel protein type 7 subunit alpha


(Homo sapiens (Human))
BDBM145285
PNG
(US8952169, 64 | US9771376, Example 64)
Show SMILES Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1 |TLB:5:6:9:13.12.11,15:6:13:9.10.11,THB:15:10:13:6.14.7,14:6:9:13.12.11,14:12:9:6.15.7|
Show InChI InChI=1S/C24H31FN2O4S/c25-21-10-22(31-14-24-11-15-6-16(12-24)8-17(7-15)13-24)19(18-2-3-18)9-20(21)23(28)26-32(29,30)27-4-1-5-27/h9-10,15-18H,1-8,11-14H2,(H,26,28)
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n/an/a 1.10n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]GX-545 Nav1.7 (unknown origin) expressed in HEK cells by liquid scintillation counting based radioligand competition assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00049
BindingDB Entry DOI: 10.7270/Q2WW7NKS
More data for this
Ligand-Target Pair
Sodium channel protein type 7 subunit alpha


(Homo sapiens (Human))
BDBM145281
PNG
(US8952169, 60 | US9771376, Example 60)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F |TLB:25:16:23:19.20.21,THB:15:16:23:19.20.21,25:20:23:16.24.17,24:16:19:23.22.21,24:22:19:16.25.17|
Show InChI InChI=1S/C22H28FNO4S/c1-29(26,27)24-21(25)18-7-17(16-2-3-16)20(8-19(18)23)28-12-22-9-13-4-14(10-22)6-15(5-13)11-22/h7-8,13-16H,2-6,9-12H2,1H3,(H,24,25)
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n/an/a 1.60n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]GX-545 Nav1.7 (unknown origin) expressed in HEK cells by liquid scintillation counting based radioligand competition assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00049
BindingDB Entry DOI: 10.7270/Q2WW7NKS
More data for this
Ligand-Target Pair
Sodium channel protein type 7 subunit alpha


(Homo sapiens (Human))
BDBM70937
PNG
(US9546164, 100 | US9694002, 100)
Show SMILES C[C@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1S/C25H29Cl2FN2O4S/c1-15(18-9-19(26)11-20(27)10-18)30-7-5-16(6-8-30)14-34-24-13-23(28)22(12-21(24)17-3-4-17)25(31)29-35(2,32)33/h9-13,15-17H,3-8,14H2,1-2H3,(H,29,31)/t15-/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]GX-545 Nav1.7 (unknown origin) expressed in HEK cells by liquid scintillation counting based radioligand competition assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00049
BindingDB Entry DOI: 10.7270/Q2WW7NKS
More data for this
Ligand-Target Pair
Sodium channel protein type 7 subunit alpha


(Homo sapiens (Human))
BDBM70936
PNG
(US9546164, 99 | US9694002, 99)
Show SMILES C[C@@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1S/C25H29Cl2FN2O4S/c1-15(18-9-19(26)11-20(27)10-18)30-7-5-16(6-8-30)14-34-24-13-23(28)22(12-21(24)17-3-4-17)25(31)29-35(2,32)33/h9-13,15-17H,3-8,14H2,1-2H3,(H,29,31)/t15-/m1/s1
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n/an/a 1.80n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]GX-545 Nav1.7 (unknown origin) expressed in HEK cells by liquid scintillation counting based radioligand competition assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00049
BindingDB Entry DOI: 10.7270/Q2WW7NKS
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Homo sapiens (Human))
BDBM145591
PNG
(US8952169, 389)
Show SMILES CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CCC2(CC2)CC1
Show InChI InChI=1S/C23H30FNO4S/c1-22(6-8-23(9-7-22)10-11-23)14-29-20-13-19(24)18(12-17(20)15-2-3-15)21(26)25-30(27,28)16-4-5-16/h12-13,15-16H,2-11,14H2,1H3,(H,25,26)
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n/an/a 2n/an/an/an/an/an/a


TBA



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


(Mus musculus)
BDBM145591
PNG
(US8952169, 389)
Show SMILES CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CCC2(CC2)CC1
Show InChI InChI=1S/C23H30FNO4S/c1-22(6-8-23(9-7-22)10-11-23)14-29-20-13-19(24)18(12-17(20)15-2-3-15)21(26)25-30(27,28)16-4-5-16/h12-13,15-16H,2-11,14H2,1H3,(H,25,26)
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n/an/a 2.20n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type 7 subunit alpha


(Homo sapiens (Human))
BDBM145375
PNG
(US8952169, 154)
Show SMILES Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(cc1C(=O)NS(=O)(=O)N1CCCC1)C1CC1 |TLB:15:6:13:9.10.11,THB:5:6:13:9.10.11,15:10:13:6.14.7,14:6:9:13.12.11,14:12:9:6.15.7|
Show InChI InChI=1S/C25H33FN2O4S/c26-22-11-23(32-15-25-12-16-7-17(13-25)9-18(8-16)14-25)20(19-3-4-19)10-21(22)24(29)27-33(30,31)28-5-1-2-6-28/h10-11,16-19H,1-9,12-15H2,(H,27,29)
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n/an/a 2.20n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]GX-545 Nav1.7 (unknown origin) expressed in HEK cells by liquid scintillation counting based radioligand competition assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00049
BindingDB Entry DOI: 10.7270/Q2WW7NKS
More data for this
Ligand-Target Pair
Sodium channel protein type 7 subunit alpha


(Homo sapiens (Human))
BDBM145376
PNG
(US8952169, 155)
Show SMILES Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(cc1C(=O)NS(=O)(=O)N1CCOCC1)C1CC1 |TLB:15:6:13:9.10.11,THB:5:6:13:9.10.11,15:10:13:6.14.7,14:6:9:13.12.11,14:12:9:6.15.7|
Show InChI InChI=1S/C25H33FN2O5S/c26-22-11-23(33-15-25-12-16-7-17(13-25)9-18(8-16)14-25)20(19-1-2-19)10-21(22)24(29)27-34(30,31)28-3-5-32-6-4-28/h10-11,16-19H,1-9,12-15H2,(H,27,29)
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n/an/a 2.30n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]GX-545 Nav1.7 (unknown origin) expressed in HEK cells by liquid scintillation counting based radioligand competition assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00049
BindingDB Entry DOI: 10.7270/Q2WW7NKS
More data for this
Ligand-Target Pair
Sodium channel protein type 7 subunit alpha


(Homo sapiens (Human))
BDBM70987
PNG
(US9546164, 139 | US9694002, 139)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)cc1F
Show InChI InChI=1S/C24H27Cl2FN2O4S/c1-34(31,32)28-24(30)21-11-20(17-2-3-17)23(12-22(21)27)33-14-15-4-6-29(7-5-15)13-16-8-18(25)10-19(26)9-16/h8-12,15,17H,2-7,13-14H2,1H3,(H,28,30)
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n/an/a 2.40n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]GX-545 Nav1.7 (unknown origin) expressed in HEK cells by liquid scintillation counting based radioligand competition assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00049
BindingDB Entry DOI: 10.7270/Q2WW7NKS
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Mus musculus)
BDBM145466
PNG
(US8952169, 245)
Show SMILES CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CCC(F)(F)CC1
Show InChI InChI=1S/C21H26F3NO4S/c1-20(6-8-21(23,24)9-7-20)12-29-18-11-17(22)16(10-15(18)13-2-3-13)19(26)25-30(27,28)14-4-5-14/h10-11,13-14H,2-9,12H2,1H3,(H,25,26)
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n/an/a 2.5n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM145466
PNG
(US8952169, 245)
Show SMILES CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CCC(F)(F)CC1
Show InChI InChI=1S/C21H26F3NO4S/c1-20(6-8-21(23,24)9-7-20)12-29-18-11-17(22)16(10-15(18)13-2-3-13)19(26)25-30(27,28)14-4-5-14/h10-11,13-14H,2-9,12H2,1H3,(H,25,26)
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KEGG

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n/an/a 3n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM145374
PNG
(US8952169, 153)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC23CC4CC(C2)C(F)(F)C(C4)C3)cc1F |TLB:15:16:22:19.18.26,THB:17:16:22:19.18.26,17:18:22:16.27.21,27:16:19:22.25.26,27:25:19:16.17.21|
Show InChI InChI=1S/C22H26F3NO4S/c1-31(28,29)26-20(27)17-6-16(13-2-3-13)19(7-18(17)23)30-11-21-8-12-4-14(9-21)22(24,25)15(5-12)10-21/h6-7,12-15H,2-5,8-11H2,1H3,(H,26,27)
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n/an/a 3.10n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM70937
PNG
(US9546164, 100 | US9694002, 100)
Show SMILES C[C@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1S/C25H29Cl2FN2O4S/c1-15(18-9-19(26)11-20(27)10-18)30-7-5-16(6-8-30)14-34-24-13-23(28)22(12-21(24)17-3-4-17)25(31)29-35(2,32)33/h9-13,15-17H,3-8,14H2,1-2H3,(H,29,31)/t15-/m0/s1
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n/an/a 3.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length human Nav1.4 expressed in HEK cells by whole cell voltage clamp analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00049
BindingDB Entry DOI: 10.7270/Q2WW7NKS
More data for this
Ligand-Target Pair
Sodium channel protein type 7 subunit alpha


(Homo sapiens (Human))
BDBM50587016
PNG
(CHEMBL5091342)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)C(c2ccccc2)c2ccccc2)cc1F
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n/an/a 3.60n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]GX-545 Nav1.7 (unknown origin) expressed in HEK cells by liquid scintillation counting based radioligand competition assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00049
BindingDB Entry DOI: 10.7270/Q2WW7NKS
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Rattus norvegicus)
BDBM145591
PNG
(US8952169, 389)
Show SMILES CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CCC2(CC2)CC1
Show InChI InChI=1S/C23H30FNO4S/c1-22(6-8-23(9-7-22)10-11-23)14-29-20-13-19(24)18(12-17(20)15-2-3-15)21(26)25-30(27,28)16-4-5-16/h12-13,15-16H,2-11,14H2,1H3,(H,25,26)
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type 7 subunit alpha


(Homo sapiens (Human))
BDBM50587015
PNG
(CHEMBL5082739)
Show SMILES Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(cc1C(=O)NS(=O)(=O)C1COC1)C1CC1 |THB:11:10:7:13.12.14,11:12:9.10.15:7,14:12:9:15.6.7,14:6:9:13.11.12|
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n/an/a 4n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]GX-545 Nav1.7 (unknown origin) expressed in HEK cells by liquid scintillation counting based radioligand competition assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00049
BindingDB Entry DOI: 10.7270/Q2WW7NKS
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50615672
PNG
(CHEMBL5272143)
Show SMILES CCC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CCC(F)(F)CC1
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n/an/a 5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type 7 subunit alpha


(Homo sapiens (Human))
BDBM145635
PNG
(US8952169, 440)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(C2)C(c2ccccc2)c2ccccc2)cc1F
Show InChI InChI=1S/C28H29FN2O4S/c1-36(33,34)30-28(32)24-14-23(20-12-13-20)26(15-25(24)29)35-18-19-16-31(17-19)27(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-11,14-15,19-20,27H,12-13,16-18H2,1H3,(H,30,32)
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n/an/a 5.5n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]GX-545 Nav1.7 (unknown origin) expressed in HEK cells by liquid scintillation counting based radioligand competition assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00049
BindingDB Entry DOI: 10.7270/Q2WW7NKS
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145266
PNG
(US8952169, 45)
Show SMILES CCc1cc(C(=O)NS(C)(=O)=O)c(F)cc1OCC12CC3CC(CC(C3)C1)C2 |TLB:27:18:25:21.22.23,THB:17:18:25:21.22.23,27:22:25:18.26.19,26:18:21:25.24.23,26:24:21:18.27.19|
Show InChI InChI=1S/C21H28FNO4S/c1-3-16-7-17(20(24)23-28(2,25)26)18(22)8-19(16)27-12-21-9-13-4-14(10-21)6-15(5-13)11-21/h7-8,13-15H,3-6,9-12H2,1-2H3,(H,23,24)
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TBA



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


(Homo sapiens (Human))
BDBM145382
PNG
(US8952169, 161)
Show SMILES Cc1cc(C(=O)NS(C)(=O)=O)c(F)cc1OCC12CC3CC(CC(C3)C1)C2 |TLB:26:17:24:20.21.22,THB:16:17:24:20.21.22,26:21:24:17.25.18,25:17:20:24.23.22,25:23:20:17.26.18|
Show InChI InChI=1S/C20H26FNO4S/c1-12-3-16(19(23)22-27(2,24)25)17(21)7-18(12)26-11-20-8-13-4-14(9-20)6-15(5-13)10-20/h3,7,13-15H,4-6,8-11H2,1-2H3,(H,22,23)
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n/an/a 6n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM145227
PNG
(US8952169, 6 | US9771376, Example 6)
Show SMILES CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC23CC4CC(CC(C4)C2)C3)cc1F |TLB:13:14:17:21.20.19,23:14:21:17.18.19,THB:23:18:21:14.22.15,22:14:17:21.20.19,22:20:17:14.23.15|
Show InChI InChI=1S/C19H23ClFNO4S/c1-27(24,25)22-18(23)14-5-15(20)17(6-16(14)21)26-10-19-7-11-2-12(8-19)4-13(3-11)9-19/h5-6,11-13H,2-4,7-10H2,1H3,(H,22,23)
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n/an/a 6n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM145281
PNG
(US8952169, 60 | US9771376, Example 60)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F |TLB:25:16:23:19.20.21,THB:15:16:23:19.20.21,25:20:23:16.24.17,24:16:19:23.22.21,24:22:19:16.25.17|
Show InChI InChI=1S/C22H28FNO4S/c1-29(26,27)24-21(25)18-7-17(16-2-3-16)20(8-19(18)23)28-12-22-9-13-4-14(10-22)6-15(5-13)11-22/h7-8,13-16H,2-6,9-12H2,1H3,(H,24,25)
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n/an/a 6n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type 1 subunit alpha


(Homo sapiens (Human))
BDBM145591
PNG
(US8952169, 389)
Show SMILES CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CCC2(CC2)CC1
Show InChI InChI=1S/C23H30FNO4S/c1-22(6-8-23(9-7-22)10-11-23)14-29-20-13-19(24)18(12-17(20)15-2-3-15)21(26)25-30(27,28)16-4-5-16/h12-13,15-16H,2-11,14H2,1H3,(H,25,26)
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n/an/a 6n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Homo sapiens (Human))
BDBM145466
PNG
(US8952169, 245)
Show SMILES CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CCC(F)(F)CC1
Show InChI InChI=1S/C21H26F3NO4S/c1-20(6-8-21(23,24)9-7-20)12-29-18-11-17(22)16(10-15(18)13-2-3-13)19(26)25-30(27,28)14-4-5-14/h10-11,13-14H,2-9,12H2,1H3,(H,25,26)
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n/an/a 6n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM145623
PNG
(US8952169, 426)
Show SMILES CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CCC(CC1)C(F)(F)F |(-4.1,-.77,;-4.1,.77,;-2.77,,;-1.44,.77,;-.1,,;1.23,.77,;2.56,,;3.9,.77,;2.56,-1.54,;1.23,-2.31,;-.1,-1.54,;-1.44,-2.31,;-2.98,-2.31,;-2.21,-3.64,;3.9,-2.31,;3.9,-3.85,;5.23,-1.54,;6.57,-2.31,;5.8,-3.64,;7.34,-.98,;7.9,-3.08,;8.67,-4.41,;9.44,-3.08,;-4.1,2.31,;-5.44,3.08,;-6.77,2.31,;-6.77,.77,;-5.44,,;-8.11,3.08,;-9.44,3.85,;-7.34,4.41,;-8.88,1.75,)|
Show InChI InChI=1S/C22H27F4NO4S/c1-21(8-6-14(7-9-21)22(24,25)26)12-31-19-11-18(23)17(10-16(19)13-2-3-13)20(28)27-32(29,30)15-4-5-15/h10-11,13-15H,2-9,12H2,1H3,(H,27,28)
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type 7 subunit alpha


(Homo sapiens (Human))
BDBM70981
PNG
(US9546164, 135 | US9694002, 135)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)cc1F
Show InChI InChI=1S/C25H28F4N2O5S/c1-37(33,34)30-24(32)21-12-20(18-4-5-18)23(13-22(21)26)35-15-17-8-10-31(11-9-17)14-16-2-6-19(7-3-16)36-25(27,28)29/h2-3,6-7,12-13,17-18H,4-5,8-11,14-15H2,1H3,(H,30,32)
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n/an/a 7.70n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]GX-545 Nav1.7 (unknown origin) expressed in HEK cells by liquid scintillation counting based radioligand competition assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00049
BindingDB Entry DOI: 10.7270/Q2WW7NKS
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145438
PNG
(US8952169, 217)
Show SMILES Fc1cc(OCC2CCC(F)(F)CC2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Show InChI InChI=1S/C20H24F3NO4S/c21-17-10-18(28-11-12-5-7-20(22,23)8-6-12)15(13-1-2-13)9-16(17)19(25)24-29(26,27)14-3-4-14/h9-10,12-14H,1-8,11H2,(H,24,25)
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n/an/a 8n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM145374
PNG
(US8952169, 153)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC23CC4CC(C2)C(F)(F)C(C4)C3)cc1F |TLB:15:16:22:19.18.26,THB:17:16:22:19.18.26,17:18:22:16.27.21,27:16:19:22.25.26,27:25:19:16.17.21|
Show InChI InChI=1S/C22H26F3NO4S/c1-31(28,29)26-20(27)17-6-16(13-2-3-13)19(7-18(17)23)30-11-21-8-12-4-14(9-21)22(24,25)15(5-12)10-21/h6-7,12-15H,2-5,8-11H2,1H3,(H,26,27)
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n/an/a 8n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM145285
PNG
(US8952169, 64 | US9771376, Example 64)
Show SMILES Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1 |TLB:5:6:9:13.12.11,15:6:13:9.10.11,THB:15:10:13:6.14.7,14:6:9:13.12.11,14:12:9:6.15.7|
Show InChI InChI=1S/C24H31FN2O4S/c25-21-10-22(31-14-24-11-15-6-16(12-24)8-17(7-15)13-24)19(18-2-3-18)9-20(21)23(28)26-32(29,30)27-4-1-5-27/h9-10,15-18H,1-8,11-14H2,(H,26,28)
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n/an/a 8.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length human Nav1.4 expressed in HEK cells by whole cell voltage clamp analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00049
BindingDB Entry DOI: 10.7270/Q2WW7NKS
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Rattus norvegicus)
BDBM145466
PNG
(US8952169, 245)
Show SMILES CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CCC(F)(F)CC1
Show InChI InChI=1S/C21H26F3NO4S/c1-20(6-8-21(23,24)9-7-20)12-29-18-11-17(22)16(10-15(18)13-2-3-13)19(26)25-30(27,28)14-4-5-14/h10-11,13-14H,2-9,12H2,1H3,(H,25,26)
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n/an/a 9n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type 7 subunit alpha


(Homo sapiens (Human))
BDBM71126
PNG
(US9546164, 253 | US9694002, 253)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)C(=O)c2cc(Cl)cc(Cl)c2)cc1F
Show InChI InChI=1S/C24H25Cl2FN2O5S/c1-35(32,33)28-23(30)20-11-19(15-2-3-15)22(12-21(20)27)34-13-14-4-6-29(7-5-14)24(31)16-8-17(25)10-18(26)9-16/h8-12,14-15H,2-7,13H2,1H3,(H,28,30)
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n/an/a 9.80n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]GX-545 Nav1.7 (unknown origin) expressed in HEK cells by liquid scintillation counting based radioligand competition assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00049
BindingDB Entry DOI: 10.7270/Q2WW7NKS
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50615671
PNG
(CHEMBL5279943)
Show SMILES CC(C)c1cc(C(=O)NS(C)(=O)=O)c(F)cc1OCC12CC3CC(CC(C3)C1)C2 |TLB:26:21:28:25.24.27,26:25:28:22.21.20,THB:24:23:26.25.27:20,24:25:28.23.22:20|
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n/an/a 10n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM145623
PNG
(US8952169, 426)
Show SMILES CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CCC(CC1)C(F)(F)F |(-4.1,-.77,;-4.1,.77,;-2.77,,;-1.44,.77,;-.1,,;1.23,.77,;2.56,,;3.9,.77,;2.56,-1.54,;1.23,-2.31,;-.1,-1.54,;-1.44,-2.31,;-2.98,-2.31,;-2.21,-3.64,;3.9,-2.31,;3.9,-3.85,;5.23,-1.54,;6.57,-2.31,;5.8,-3.64,;7.34,-.98,;7.9,-3.08,;8.67,-4.41,;9.44,-3.08,;-4.1,2.31,;-5.44,3.08,;-6.77,2.31,;-6.77,.77,;-5.44,,;-8.11,3.08,;-9.44,3.85,;-7.34,4.41,;-8.88,1.75,)|
Show InChI InChI=1S/C22H27F4NO4S/c1-21(8-6-14(7-9-21)22(24,25)26)12-31-19-11-18(23)17(10-16(19)13-2-3-13)20(28)27-32(29,30)15-4-5-15/h10-11,13-15H,2-9,12H2,1H3,(H,27,28)
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n/an/a 10n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
Sodium channel protein type 1 subunit alpha


(Homo sapiens (Human))
BDBM145285
PNG
(US8952169, 64 | US9771376, Example 64)
Show SMILES Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1 |TLB:5:6:9:13.12.11,15:6:13:9.10.11,THB:15:10:13:6.14.7,14:6:9:13.12.11,14:12:9:6.15.7|
Show InChI InChI=1S/C24H31FN2O4S/c25-21-10-22(31-14-24-11-15-6-16(12-24)8-17(7-15)13-24)19(18-2-3-18)9-20(21)23(28)26-32(29,30)27-4-1-5-27/h9-10,15-18H,1-8,11-14H2,(H,26,28)
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n/an/a 11n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length human Nav1.1 expressed in HEK cells by whole cell voltage clamp analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00049
BindingDB Entry DOI: 10.7270/Q2WW7NKS
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145373
PNG
(US8952169, 152 | US9771376, Example 152)
Show SMILES CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC23CC4CC(C2)C(F)(F)C(C4)C3)cc1F |TLB:13:14:20:17.16.24,THB:15:14:20:17.16.24,15:16:20:14.25.19,25:14:17:20.23.24,25:23:17:14.15.19|
Show InChI InChI=1S/C19H21ClF3NO4S/c1-29(26,27)24-17(25)13-4-14(20)16(5-15(13)21)28-9-18-6-10-2-11(7-18)19(22,23)12(3-10)8-18/h4-5,10-12H,2-3,6-9H2,1H3,(H,24,25)
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n/an/a 11n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Homo sapiens (Human))
BDBM50568138
PNG
(CHEMBL4854735)
Show SMILES Fc1cccc(NS(=O)(=O)c2cc(F)c(O[C@H]3CCN(CC(F)(F)F)C[C@@H]3c3ccc(F)c(F)c3)c(F)c2)n1 |r|
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n/an/a 12n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Nav1.2 by V1/2 protocol based analysis


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128133
BindingDB Entry DOI: 10.7270/Q2CJ8J7B
More data for this
Ligand-Target Pair
Sodium channel subunit beta-1


(Homo sapiens)
BDBM50530536
PNG
(CHEMBL4580996 | US11174268, Example 336)
Show SMILES C[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)c1cc(F)ccc1F |r|
Show InChI InChI=1S/C17H13ClF3N3O2S2/c1-9(11-4-10(19)2-3-13(11)20)23-15-6-14(21)16(5-12(15)18)28(25,26)24-17-7-27-8-22-17/h2-9,23-24H,1H3/t9-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length Nav1.2 co-expressed with human SCN1B in HEK293 cells measured after 20 mins at -45 mV holding potential b...


J Med Chem 62: 9618-9641 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01032
BindingDB Entry DOI: 10.7270/Q2Z32344
More data for this
Ligand-Target Pair
Sodium channel subunit beta-1


(Homo sapiens)
BDBM50530536
PNG
(CHEMBL4580996 | US11174268, Example 336)
Show SMILES C[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)c1cc(F)ccc1F |r|
Show InChI InChI=1S/C17H13ClF3N3O2S2/c1-9(11-4-10(19)2-3-13(11)20)23-15-6-14(21)16(5-12(15)18)28(25,26)24-17-7-27-8-22-17/h2-9,23-24H,1H3/t9-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length Nav1.2 co-expressed with human SCN1B in HEK293 cells measured after 20 mins at -45 mV holding potential b...


J Med Chem 62: 9618-9641 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01032
BindingDB Entry DOI: 10.7270/Q2Z32344
More data for this
Ligand-Target Pair
Sodium channel protein type 7 subunit alpha


(Homo sapiens (Human))
BDBM145369
PNG
(US8952169, 148 | US9771376, Example 148)
Show SMILES Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1 |TLB:15:6:13:9.10.11,THB:5:6:13:9.10.11,15:10:13:6.14.7,14:6:9:13.12.11,14:12:9:6.15.7|
Show InChI InChI=1S/C24H30FNO4S/c25-21-9-22(30-13-24-10-14-5-15(11-24)7-16(6-14)12-24)19(17-1-2-17)8-20(21)23(27)26-31(28,29)18-3-4-18/h8-9,14-18H,1-7,10-13H2,(H,26,27)
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n/an/a 14n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells incubated for 1 hr in presence of veratridine by sodium influx assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00049
BindingDB Entry DOI: 10.7270/Q2WW7NKS
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145466
PNG
(US8952169, 245)
Show SMILES CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CCC(F)(F)CC1
Show InChI InChI=1S/C21H26F3NO4S/c1-20(6-8-21(23,24)9-7-20)12-29-18-11-17(22)16(10-15(18)13-2-3-13)19(26)25-30(27,28)14-4-5-14/h10-11,13-14H,2-9,12H2,1H3,(H,25,26)
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TBA



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


(Homo sapiens (Human))
BDBM145387
PNG
(US8952169, 166 | US9771376, Example 166)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCC(F)(F)CC2)cc1F
Show InChI InChI=1S/C18H22F3NO4S/c1-27(24,25)22-17(23)14-8-13(12-2-3-12)16(9-15(14)19)26-10-11-4-6-18(20,21)7-5-11/h8-9,11-12H,2-7,10H2,1H3,(H,22,23)
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n/an/a 15n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
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