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Compile Data Set for Download or QSAR

Found 222 hits with Last Name = 'jarrott' and Initial = 'b'   
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
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50266017
PNG
(5-(3,5-di-tert-butyl-4-hydroxyphenyl)-3H-1,2-dithi...)
Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1cc(=S)ss1
Show InChI InChI=1S/C17H22OS3/c1-16(2,3)11-7-10(13-9-14(19)21-20-13)8-12(15(11)18)17(4,5)6/h7-9,18H,1-6H3
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n/an/a 7.20n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 expressed in Sf21 cells assessed as effect on prostaglandin E2 production by ELISA


Bioorg Med Chem Lett 19: 459-61 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.045
BindingDB Entry DOI: 10.7270/Q2QZ29T1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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n/an/a 28n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of human platelet COX1 assessed as effect on prostaglandin E2 production by ELISA


Bioorg Med Chem Lett 19: 459-61 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.045
BindingDB Entry DOI: 10.7270/Q2QZ29T1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50266016
PNG
(5-(3,5-di-tert-butyl-4-methoxyphenyl)-3H-1,2-dithi...)
Show SMILES COc1c(cc(cc1C(C)(C)C)-c1cc(=S)ss1)C(C)(C)C
Show InChI InChI=1S/C18H24OS3/c1-17(2,3)12-8-11(14-10-15(20)22-21-14)9-13(16(12)19-7)18(4,5)6/h8-10H,1-7H3
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n/an/a 47n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 expressed in Sf21 cells assessed as effect on prostaglandin E2 production by ELISA


Bioorg Med Chem Lett 19: 459-61 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.045
BindingDB Entry DOI: 10.7270/Q2QZ29T1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM22369
PNG
(4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofu...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1 |t:11|
Show InChI InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
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n/an/a 75n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 expressed in Sf21 cells assessed as effect on prostaglandin E2 production by ELISA


Bioorg Med Chem Lett 19: 459-61 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.045
BindingDB Entry DOI: 10.7270/Q2QZ29T1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sodium channel protein type 2 subunit alpha


(Homo sapiens (Human))
BDBM432084
PNG
(US10577308, Compound 562)
Show SMILES Cc1cccc(C)c1OCCCNC(c1ccccn1)c1ccccn1
Show InChI InChI=1S/C22H25N3O/c1-17-9-7-10-18(2)22(17)26-16-8-15-25-21(19-11-3-5-13-23-19)20-12-4-6-14-24-20/h3-7,9-14,21,25H,8,15-16H2,1-2H3
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n/an/a 100n/an/an/an/an/an/a



The Florey Institute; The University of Melbourne

US Patent


Assay Description
Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian Cell...


US Patent US10577308 (2020)


BindingDB Entry DOI: 10.7270/Q2CZ39JQ
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM432084
PNG
(US10577308, Compound 562)
Show SMILES Cc1cccc(C)c1OCCCNC(c1ccccn1)c1ccccn1
Show InChI InChI=1S/C22H25N3O/c1-17-9-7-10-18(2)22(17)26-16-8-15-25-21(19-11-3-5-13-23-19)20-12-4-6-14-24-20/h3-7,9-14,21,25H,8,15-16H2,1-2H3
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n/an/a 100n/an/an/an/an/an/a



The Florey Institute; The University of Melbourne

US Patent


Assay Description
Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian Cell...


US Patent US10577308 (2020)


BindingDB Entry DOI: 10.7270/Q2CZ39JQ
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM432084
PNG
(US10577308, Compound 562)
Show SMILES Cc1cccc(C)c1OCCCNC(c1ccccn1)c1ccccn1
Show InChI InChI=1S/C22H25N3O/c1-17-9-7-10-18(2)22(17)26-16-8-15-25-21(19-11-3-5-13-23-19)20-12-4-6-14-24-20/h3-7,9-14,21,25H,8,15-16H2,1-2H3
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n/an/a 100n/an/an/an/an/an/a



The Florey Institute; The University of Melbourne

US Patent


Assay Description
Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian Cell...


US Patent US10577308 (2020)


BindingDB Entry DOI: 10.7270/Q2CZ39JQ
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Homo sapiens (Human))
BDBM432084
PNG
(US10577308, Compound 562)
Show SMILES Cc1cccc(C)c1OCCCNC(c1ccccn1)c1ccccn1
Show InChI InChI=1S/C22H25N3O/c1-17-9-7-10-18(2)22(17)26-16-8-15-25-21(19-11-3-5-13-23-19)20-12-4-6-14-24-20/h3-7,9-14,21,25H,8,15-16H2,1-2H3
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The Florey Institute; The University of Melbourne

US Patent


Assay Description
Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian Cell...


US Patent US10577308 (2020)


BindingDB Entry DOI: 10.7270/Q2CZ39JQ
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Homo sapiens (Human))
BDBM432082
PNG
(US10577308, Compound 553)
Show SMILES CC(NCCCOc1c(C)cccc1C)c1ccccc1
Show InChI InChI=1S/C19H25NO/c1-15-9-7-10-16(2)19(15)21-14-8-13-20-17(3)18-11-5-4-6-12-18/h4-7,9-12,17,20H,8,13-14H2,1-3H3
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n/an/a 200n/an/an/an/an/an/a



The Florey Institute; The University of Melbourne

US Patent


Assay Description
Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian Cell...


US Patent US10577308 (2020)


BindingDB Entry DOI: 10.7270/Q2CZ39JQ
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Homo sapiens (Human))
BDBM432087
PNG
(US10577308, Compound 558)
Show SMILES Cc1cccc(C)c1OCCCNCc1cccc(c1)-c1cncnc1
Show InChI InChI=1S/C22H25N3O/c1-17-6-3-7-18(2)22(17)26-11-5-10-23-13-19-8-4-9-20(12-19)21-14-24-16-25-15-21/h3-4,6-9,12,14-16,23H,5,10-11,13H2,1-2H3
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n/an/a 200n/an/an/an/an/an/a



The Florey Institute; The University of Melbourne

US Patent


Assay Description
Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian Cell...


US Patent US10577308 (2020)


BindingDB Entry DOI: 10.7270/Q2CZ39JQ
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Homo sapiens (Human))
BDBM432087
PNG
(US10577308, Compound 558)
Show SMILES Cc1cccc(C)c1OCCCNCc1cccc(c1)-c1cncnc1
Show InChI InChI=1S/C22H25N3O/c1-17-6-3-7-18(2)22(17)26-11-5-10-23-13-19-8-4-9-20(12-19)21-14-24-16-25-15-21/h3-4,6-9,12,14-16,23H,5,10-11,13H2,1-2H3
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n/an/a 200n/an/an/an/an/an/a



The Florey Institute; The University of Melbourne

US Patent


Assay Description
Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian Cell...


US Patent US10577308 (2020)


BindingDB Entry DOI: 10.7270/Q2CZ39JQ
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Homo sapiens (Human))
BDBM432082
PNG
(US10577308, Compound 553)
Show SMILES CC(NCCCOc1c(C)cccc1C)c1ccccc1
Show InChI InChI=1S/C19H25NO/c1-15-9-7-10-16(2)19(15)21-14-8-13-20-17(3)18-11-5-4-6-12-18/h4-7,9-12,17,20H,8,13-14H2,1-3H3
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n/an/a 200n/an/an/an/an/an/a



The Florey Institute; The University of Melbourne

US Patent


Assay Description
Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian Cell...


US Patent US10577308 (2020)


BindingDB Entry DOI: 10.7270/Q2CZ39JQ
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM432082
PNG
(US10577308, Compound 553)
Show SMILES CC(NCCCOc1c(C)cccc1C)c1ccccc1
Show InChI InChI=1S/C19H25NO/c1-15-9-7-10-16(2)19(15)21-14-8-13-20-17(3)18-11-5-4-6-12-18/h4-7,9-12,17,20H,8,13-14H2,1-3H3
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n/an/a 300n/an/an/an/an/an/a



The Florey Institute; The University of Melbourne

US Patent


Assay Description
Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian Cell...


US Patent US10577308 (2020)


BindingDB Entry DOI: 10.7270/Q2CZ39JQ
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM432082
PNG
(US10577308, Compound 553)
Show SMILES CC(NCCCOc1c(C)cccc1C)c1ccccc1
Show InChI InChI=1S/C19H25NO/c1-15-9-7-10-16(2)19(15)21-14-8-13-20-17(3)18-11-5-4-6-12-18/h4-7,9-12,17,20H,8,13-14H2,1-3H3
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n/an/a 300n/an/an/an/an/an/a



The Florey Institute; The University of Melbourne

US Patent


Assay Description
Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian Cell...


US Patent US10577308 (2020)


BindingDB Entry DOI: 10.7270/Q2CZ39JQ
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM432087
PNG
(US10577308, Compound 558)
Show SMILES Cc1cccc(C)c1OCCCNCc1cccc(c1)-c1cncnc1
Show InChI InChI=1S/C22H25N3O/c1-17-6-3-7-18(2)22(17)26-11-5-10-23-13-19-8-4-9-20(12-19)21-14-24-16-25-15-21/h3-4,6-9,12,14-16,23H,5,10-11,13H2,1-2H3
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n/an/a 300n/an/an/an/an/an/a



The Florey Institute; The University of Melbourne

US Patent


Assay Description
Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian Cell...


US Patent US10577308 (2020)


BindingDB Entry DOI: 10.7270/Q2CZ39JQ
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM432087
PNG
(US10577308, Compound 558)
Show SMILES Cc1cccc(C)c1OCCCNCc1cccc(c1)-c1cncnc1
Show InChI InChI=1S/C22H25N3O/c1-17-6-3-7-18(2)22(17)26-11-5-10-23-13-19-8-4-9-20(12-19)21-14-24-16-25-15-21/h3-4,6-9,12,14-16,23H,5,10-11,13H2,1-2H3
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n/an/a 300n/an/an/an/an/an/a



The Florey Institute; The University of Melbourne

US Patent


Assay Description
Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian Cell...


US Patent US10577308 (2020)


BindingDB Entry DOI: 10.7270/Q2CZ39JQ
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM432087
PNG
(US10577308, Compound 558)
Show SMILES Cc1cccc(C)c1OCCCNCc1cccc(c1)-c1cncnc1
Show InChI InChI=1S/C22H25N3O/c1-17-6-3-7-18(2)22(17)26-11-5-10-23-13-19-8-4-9-20(12-19)21-14-24-16-25-15-21/h3-4,6-9,12,14-16,23H,5,10-11,13H2,1-2H3
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n/an/a 400n/an/an/an/an/an/a



The Florey Institute; The University of Melbourne

US Patent


Assay Description
Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian Cell...


US Patent US10577308 (2020)


BindingDB Entry DOI: 10.7270/Q2CZ39JQ
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Homo sapiens (Human))
BDBM432070
PNG
(US10577308, Compound 525)
Show SMILES COc1cccc(CNCCCOc2c(C)cccc2C)c1
Show InChI InChI=1S/C19H25NO2/c1-15-7-4-8-16(2)19(15)22-12-6-11-20-14-17-9-5-10-18(13-17)21-3/h4-5,7-10,13,20H,6,11-12,14H2,1-3H3
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The Florey Institute; The University of Melbourne

US Patent


Assay Description
Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian Cell...


US Patent US10577308 (2020)


BindingDB Entry DOI: 10.7270/Q2CZ39JQ
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Homo sapiens (Human))
BDBM432075
PNG
(US10577308, Compound 536)
Show SMILES Cc1cccc(C)c1OCCCNCc1ccccc1-c1ccccc1
Show InChI InChI=1S/C24H27NO/c1-19-10-8-11-20(2)24(19)26-17-9-16-25-18-22-14-6-7-15-23(22)21-12-4-3-5-13-21/h3-8,10-15,25H,9,16-18H2,1-2H3
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The Florey Institute; The University of Melbourne

US Patent


Assay Description
Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian Cell...


US Patent US10577308 (2020)


BindingDB Entry DOI: 10.7270/Q2CZ39JQ
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Homo sapiens (Human))
BDBM432075
PNG
(US10577308, Compound 536)
Show SMILES Cc1cccc(C)c1OCCCNCc1ccccc1-c1ccccc1
Show InChI InChI=1S/C24H27NO/c1-19-10-8-11-20(2)24(19)26-17-9-16-25-18-22-14-6-7-15-23(22)21-12-4-3-5-13-21/h3-8,10-15,25H,9,16-18H2,1-2H3
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n/an/a 400n/an/an/an/an/an/a



The Florey Institute; The University of Melbourne

US Patent


Assay Description
Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian Cell...


US Patent US10577308 (2020)


BindingDB Entry DOI: 10.7270/Q2CZ39JQ
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Homo sapiens (Human))
BDBM432070
PNG
(US10577308, Compound 525)
Show SMILES COc1cccc(CNCCCOc2c(C)cccc2C)c1
Show InChI InChI=1S/C19H25NO2/c1-15-7-4-8-16(2)19(15)22-12-6-11-20-14-17-9-5-10-18(13-17)21-3/h4-5,7-10,13,20H,6,11-12,14H2,1-3H3
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The Florey Institute; The University of Melbourne

US Patent


Assay Description
Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian Cell...


US Patent US10577308 (2020)


BindingDB Entry DOI: 10.7270/Q2CZ39JQ
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Homo sapiens (Human))
BDBM432058
PNG
(US10577308, Compound 518)
Show SMILES Cc1cccc(C)c1OCCCNCc1ccccc1
Show InChI InChI=1S/C18H23NO/c1-15-8-6-9-16(2)18(15)20-13-7-12-19-14-17-10-4-3-5-11-17/h3-6,8-11,19H,7,12-14H2,1-2H3
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The Florey Institute; The University of Melbourne

US Patent


Assay Description
Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian Cell...


US Patent US10577308 (2020)


BindingDB Entry DOI: 10.7270/Q2CZ39JQ
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Homo sapiens (Human))
BDBM432058
PNG
(US10577308, Compound 518)
Show SMILES Cc1cccc(C)c1OCCCNCc1ccccc1
Show InChI InChI=1S/C18H23NO/c1-15-8-6-9-16(2)18(15)20-13-7-12-19-14-17-10-4-3-5-11-17/h3-6,8-11,19H,7,12-14H2,1-2H3
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The Florey Institute; The University of Melbourne

US Patent


Assay Description
Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian Cell...


US Patent US10577308 (2020)


BindingDB Entry DOI: 10.7270/Q2CZ39JQ
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM432077
PNG
(US10577308, Compound 530)
Show SMILES COc1ccccc1CNCCCOc1c(C)cccc1C
Show InChI InChI=1S/C19H25NO2/c1-15-8-6-9-16(2)19(15)22-13-7-12-20-14-17-10-4-5-11-18(17)21-3/h4-6,8-11,20H,7,12-14H2,1-3H3
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The Florey Institute; The University of Melbourne

US Patent


Assay Description
Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian Cell...


US Patent US10577308 (2020)


BindingDB Entry DOI: 10.7270/Q2CZ39JQ
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM432077
PNG
(US10577308, Compound 530)
Show SMILES COc1ccccc1CNCCCOc1c(C)cccc1C
Show InChI InChI=1S/C19H25NO2/c1-15-8-6-9-16(2)19(15)22-13-7-12-20-14-17-10-4-5-11-18(17)21-3/h4-6,8-11,20H,7,12-14H2,1-3H3
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The Florey Institute; The University of Melbourne

US Patent


Assay Description
Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian Cell...


US Patent US10577308 (2020)


BindingDB Entry DOI: 10.7270/Q2CZ39JQ
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Homo sapiens (Human))
BDBM432060
PNG
(US10577308, Compound 520)
Show SMILES COc1ccc(CNCCCOc2c(C)cccc2C)cc1
Show InChI InChI=1S/C19H25NO2/c1-15-6-4-7-16(2)19(15)22-13-5-12-20-14-17-8-10-18(21-3)11-9-17/h4,6-11,20H,5,12-14H2,1-3H3
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The Florey Institute; The University of Melbourne

US Patent


Assay Description
Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian Cell...


US Patent US10577308 (2020)


BindingDB Entry DOI: 10.7270/Q2CZ39JQ
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Homo sapiens (Human))
BDBM432060
PNG
(US10577308, Compound 520)
Show SMILES COc1ccc(CNCCCOc2c(C)cccc2C)cc1
Show InChI InChI=1S/C19H25NO2/c1-15-6-4-7-16(2)19(15)22-13-5-12-20-14-17-8-10-18(21-3)11-9-17/h4,6-11,20H,5,12-14H2,1-3H3
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The Florey Institute; The University of Melbourne

US Patent


Assay Description
Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian Cell...


US Patent US10577308 (2020)


BindingDB Entry DOI: 10.7270/Q2CZ39JQ
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Homo sapiens (Human))
BDBM432077
PNG
(US10577308, Compound 530)
Show SMILES COc1ccccc1CNCCCOc1c(C)cccc1C
Show InChI InChI=1S/C19H25NO2/c1-15-8-6-9-16(2)19(15)22-13-7-12-20-14-17-10-4-5-11-18(17)21-3/h4-6,8-11,20H,7,12-14H2,1-3H3
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The Florey Institute; The University of Melbourne

US Patent


Assay Description
Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian Cell...


US Patent US10577308 (2020)


BindingDB Entry DOI: 10.7270/Q2CZ39JQ
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM432078
PNG
(US10577308, Compound 551)
Show SMILES Cc1cccc(C)c1OCCCNCc1ccccc1F
Show InChI InChI=1S/C18H22FNO/c1-14-7-5-8-15(2)18(14)21-12-6-11-20-13-16-9-3-4-10-17(16)19/h3-5,7-10,20H,6,11-13H2,1-2H3
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The Florey Institute; The University of Melbourne

US Patent


Assay Description
Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian Cell...


US Patent US10577308 (2020)


BindingDB Entry DOI: 10.7270/Q2CZ39JQ
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM432078
PNG
(US10577308, Compound 551)
Show SMILES Cc1cccc(C)c1OCCCNCc1ccccc1F
Show InChI InChI=1S/C18H22FNO/c1-14-7-5-8-15(2)18(14)21-12-6-11-20-13-16-9-3-4-10-17(16)19/h3-5,7-10,20H,6,11-13H2,1-2H3
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The Florey Institute; The University of Melbourne

US Patent


Assay Description
Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian Cell...


US Patent US10577308 (2020)


BindingDB Entry DOI: 10.7270/Q2CZ39JQ
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Homo sapiens (Human))
BDBM432077
PNG
(US10577308, Compound 530)
Show SMILES COc1ccccc1CNCCCOc1c(C)cccc1C
Show InChI InChI=1S/C19H25NO2/c1-15-8-6-9-16(2)19(15)22-13-7-12-20-14-17-10-4-5-11-18(17)21-3/h4-6,8-11,20H,7,12-14H2,1-3H3
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The Florey Institute; The University of Melbourne

US Patent


Assay Description
Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian Cell...


US Patent US10577308 (2020)


BindingDB Entry DOI: 10.7270/Q2CZ39JQ
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Homo sapiens (Human))
BDBM432087
PNG
(US10577308, Compound 558)
Show SMILES Cc1cccc(C)c1OCCCNCc1cccc(c1)-c1cncnc1
Show InChI InChI=1S/C22H25N3O/c1-17-6-3-7-18(2)22(17)26-11-5-10-23-13-19-8-4-9-20(12-19)21-14-24-16-25-15-21/h3-4,6-9,12,14-16,23H,5,10-11,13H2,1-2H3
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The Florey Institute; The University of Melbourne

US Patent


Assay Description
Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian Cell...


US Patent US10577308 (2020)


BindingDB Entry DOI: 10.7270/Q2CZ39JQ
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM432073
PNG
(US10577308, Compound 552)
Show SMILES Cc1cccc(C)c1OCCCNCc1cccc(F)c1
Show InChI InChI=1S/C18H22FNO/c1-14-6-3-7-15(2)18(14)21-11-5-10-20-13-16-8-4-9-17(19)12-16/h3-4,6-9,12,20H,5,10-11,13H2,1-2H3
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The Florey Institute; The University of Melbourne

US Patent


Assay Description
Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian Cell...


US Patent US10577308 (2020)


BindingDB Entry DOI: 10.7270/Q2CZ39JQ
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Homo sapiens (Human))
BDBM432080
PNG
(US10577308, Compound 540)
Show SMILES Cc1cccc(C)c1OCCCNCc1nn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C26H29N3O/c1-20-10-8-11-21(2)26(20)30-17-9-16-27-18-24-23-14-6-7-15-25(23)29(28-24)19-22-12-4-3-5-13-22/h3-8,10-15,27H,9,16-19H2,1-2H3
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The Florey Institute; The University of Melbourne

US Patent


Assay Description
Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian Cell...


US Patent US10577308 (2020)


BindingDB Entry DOI: 10.7270/Q2CZ39JQ
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Homo sapiens (Human))
BDBM432080
PNG
(US10577308, Compound 540)
Show SMILES Cc1cccc(C)c1OCCCNCc1nn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C26H29N3O/c1-20-10-8-11-21(2)26(20)30-17-9-16-27-18-24-23-14-6-7-15-25(23)29(28-24)19-22-12-4-3-5-13-22/h3-8,10-15,27H,9,16-19H2,1-2H3
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The Florey Institute; The University of Melbourne

US Patent


Assay Description
Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian Cell...


US Patent US10577308 (2020)


BindingDB Entry DOI: 10.7270/Q2CZ39JQ
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM432073
PNG
(US10577308, Compound 552)
Show SMILES Cc1cccc(C)c1OCCCNCc1cccc(F)c1
Show InChI InChI=1S/C18H22FNO/c1-14-6-3-7-15(2)18(14)21-11-5-10-20-13-16-8-4-9-17(19)12-16/h3-4,6-9,12,20H,5,10-11,13H2,1-2H3
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The Florey Institute; The University of Melbourne

US Patent


Assay Description
Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian Cell...


US Patent US10577308 (2020)


BindingDB Entry DOI: 10.7270/Q2CZ39JQ
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM432075
PNG
(US10577308, Compound 536)
Show SMILES Cc1cccc(C)c1OCCCNCc1ccccc1-c1ccccc1
Show InChI InChI=1S/C24H27NO/c1-19-10-8-11-20(2)24(19)26-17-9-16-25-18-22-14-6-7-15-23(22)21-12-4-3-5-13-21/h3-8,10-15,25H,9,16-18H2,1-2H3
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The Florey Institute; The University of Melbourne

US Patent


Assay Description
Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian Cell...


US Patent US10577308 (2020)


BindingDB Entry DOI: 10.7270/Q2CZ39JQ
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM432075
PNG
(US10577308, Compound 536)
Show SMILES Cc1cccc(C)c1OCCCNCc1ccccc1-c1ccccc1
Show InChI InChI=1S/C24H27NO/c1-19-10-8-11-20(2)24(19)26-17-9-16-25-18-22-14-6-7-15-23(22)21-12-4-3-5-13-21/h3-8,10-15,25H,9,16-18H2,1-2H3
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The Florey Institute; The University of Melbourne

US Patent


Assay Description
Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian Cell...


US Patent US10577308 (2020)


BindingDB Entry DOI: 10.7270/Q2CZ39JQ
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Homo sapiens (Human))
BDBM432083
PNG
(US10577308, Compound 554)
Show SMILES Cc1cccc(C)c1OCCCNC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H27NO/c1-19-11-9-12-20(2)24(19)26-18-10-17-25-23(21-13-5-3-6-14-21)22-15-7-4-8-16-22/h3-9,11-16,23,25H,10,17-18H2,1-2H3
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The Florey Institute; The University of Melbourne

US Patent


Assay Description
Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian Cell...


US Patent US10577308 (2020)


BindingDB Entry DOI: 10.7270/Q2CZ39JQ
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Homo sapiens (Human))
BDBM432083
PNG
(US10577308, Compound 554)
Show SMILES Cc1cccc(C)c1OCCCNC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H27NO/c1-19-11-9-12-20(2)24(19)26-18-10-17-25-23(21-13-5-3-6-14-21)22-15-7-4-8-16-22/h3-9,11-16,23,25H,10,17-18H2,1-2H3
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The Florey Institute; The University of Melbourne

US Patent


Assay Description
Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian Cell...


US Patent US10577308 (2020)


BindingDB Entry DOI: 10.7270/Q2CZ39JQ
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Homo sapiens (Human))
BDBM432064
PNG
(US10577308, Compound 531)
Show SMILES Cc1cccc(C)c1OCCCNCc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C19H22F3NO2/c1-14-5-3-6-15(2)18(14)24-12-4-11-23-13-16-7-9-17(10-8-16)25-19(20,21)22/h3,5-10,23H,4,11-13H2,1-2H3
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The Florey Institute; The University of Melbourne

US Patent


Assay Description
Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian Cell...


US Patent US10577308 (2020)


BindingDB Entry DOI: 10.7270/Q2CZ39JQ
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM432061
PNG
(US10577308, Compound 521)
Show SMILES Cc1cccc(C)c1OCCCNCc1ccc(F)cc1
Show InChI InChI=1S/C18H22FNO/c1-14-5-3-6-15(2)18(14)21-12-4-11-20-13-16-7-9-17(19)10-8-16/h3,5-10,20H,4,11-13H2,1-2H3
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The Florey Institute; The University of Melbourne

US Patent


Assay Description
Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian Cell...


US Patent US10577308 (2020)


BindingDB Entry DOI: 10.7270/Q2CZ39JQ
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Homo sapiens (Human))
BDBM432064
PNG
(US10577308, Compound 531)
Show SMILES Cc1cccc(C)c1OCCCNCc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C19H22F3NO2/c1-14-5-3-6-15(2)18(14)24-12-4-11-23-13-16-7-9-17(10-8-16)25-19(20,21)22/h3,5-10,23H,4,11-13H2,1-2H3
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The Florey Institute; The University of Melbourne

US Patent


Assay Description
Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian Cell...


US Patent US10577308 (2020)


BindingDB Entry DOI: 10.7270/Q2CZ39JQ
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM432061
PNG
(US10577308, Compound 521)
Show SMILES Cc1cccc(C)c1OCCCNCc1ccc(F)cc1
Show InChI InChI=1S/C18H22FNO/c1-14-5-3-6-15(2)18(14)21-12-4-11-20-13-16-7-9-17(19)10-8-16/h3,5-10,20H,4,11-13H2,1-2H3
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The Florey Institute; The University of Melbourne

US Patent


Assay Description
Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian Cell...


US Patent US10577308 (2020)


BindingDB Entry DOI: 10.7270/Q2CZ39JQ
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM432060
PNG
(US10577308, Compound 520)
Show SMILES COc1ccc(CNCCCOc2c(C)cccc2C)cc1
Show InChI InChI=1S/C19H25NO2/c1-15-6-4-7-16(2)19(15)22-13-5-12-20-14-17-8-10-18(21-3)11-9-17/h4,6-11,20H,5,12-14H2,1-3H3
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US Patent
n/an/a 1.50E+3n/an/an/an/an/an/a



The Florey Institute; The University of Melbourne

US Patent


Assay Description
Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian Cell...


US Patent US10577308 (2020)


BindingDB Entry DOI: 10.7270/Q2CZ39JQ
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM432060
PNG
(US10577308, Compound 520)
Show SMILES COc1ccc(CNCCCOc2c(C)cccc2C)cc1
Show InChI InChI=1S/C19H25NO2/c1-15-6-4-7-16(2)19(15)22-13-5-12-20-14-17-8-10-18(21-3)11-9-17/h4,6-11,20H,5,12-14H2,1-3H3
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US Patent
n/an/a 1.50E+3n/an/an/an/an/an/a



The Florey Institute; The University of Melbourne

US Patent


Assay Description
Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian Cell...


US Patent US10577308 (2020)


BindingDB Entry DOI: 10.7270/Q2CZ39JQ
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM432082
PNG
(US10577308, Compound 553)
Show SMILES CC(NCCCOc1c(C)cccc1C)c1ccccc1
Show InChI InChI=1S/C19H25NO/c1-15-9-7-10-16(2)19(15)21-14-8-13-20-17(3)18-11-5-4-6-12-18/h4-7,9-12,17,20H,8,13-14H2,1-3H3
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US Patent
n/an/a 1.60E+3n/an/an/an/an/an/a



The Florey Institute; The University of Melbourne

US Patent


Assay Description
Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian Cell...


US Patent US10577308 (2020)


BindingDB Entry DOI: 10.7270/Q2CZ39JQ
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM432059
PNG
(US10577308, Compound 519)
Show SMILES Cc1cccc(C)c1OCCCNCc1ccc(cc1)C#N
Show InChI InChI=1S/C19H22N2O/c1-15-5-3-6-16(2)19(15)22-12-4-11-21-14-18-9-7-17(13-20)8-10-18/h3,5-10,21H,4,11-12,14H2,1-2H3
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US Patent
n/an/a 1.80E+3n/an/an/an/an/an/a



The Florey Institute; The University of Melbourne

US Patent


Assay Description
Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian Cell...


US Patent US10577308 (2020)


BindingDB Entry DOI: 10.7270/Q2CZ39JQ
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM432070
PNG
(US10577308, Compound 525)
Show SMILES COc1cccc(CNCCCOc2c(C)cccc2C)c1
Show InChI InChI=1S/C19H25NO2/c1-15-7-4-8-16(2)19(15)22-12-6-11-20-14-17-9-5-10-18(13-17)21-3/h4-5,7-10,13,20H,6,11-12,14H2,1-3H3
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UniChem
US Patent
n/an/a 1.80E+3n/an/an/an/an/an/a



The Florey Institute; The University of Melbourne

US Patent


Assay Description
Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian Cell...


US Patent US10577308 (2020)


BindingDB Entry DOI: 10.7270/Q2CZ39JQ
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM432070
PNG
(US10577308, Compound 525)
Show SMILES COc1cccc(CNCCCOc2c(C)cccc2C)c1
Show InChI InChI=1S/C19H25NO2/c1-15-7-4-8-16(2)19(15)22-12-6-11-20-14-17-9-5-10-18(13-17)21-3/h4-5,7-10,13,20H,6,11-12,14H2,1-3H3
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.80E+3n/an/an/an/an/an/a



The Florey Institute; The University of Melbourne

US Patent


Assay Description
Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian Cell...


US Patent US10577308 (2020)


BindingDB Entry DOI: 10.7270/Q2CZ39JQ
More data for this
Ligand-Target Pair
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