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Patent code US9133131

Compile Data Set for Download or QSAR
Found 27 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM179918
PNG
(US9133131, 9)
Show SMILES NC(=O)c1cc(nc(n1)-c1ccc(Oc2ccc(Cl)cc2F)cc1)[C@@H](O)CO |r|
Show InChI InChI=1S/C19H15ClFN3O4/c20-11-3-6-17(13(21)7-11)28-12-4-1-10(2-5-12)19-23-14(16(26)9-25)8-15(24-19)18(22)27/h1-8,16,25-26H,9H2,(H2,22,27)/t16-/m0/s1
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 27n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Electrophysiology: On the day of experimentation, the 35 mm dish was placed on the stage of an inverted microscope equipped with a perfusion system t...

US Patent US9133131 (2015)


BindingDB Entry DOI: 10.7270/Q23B5XX5
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM179916
PNG
(US9133131, 7)
Show SMILES NC(=O)c1cc(nc(n1)-c1ccc(Oc2cc(Cl)ccc2F)cc1)[C@@H](O)CO |r|
Show InChI InChI=1S/C19H15ClFN3O4/c20-11-3-6-13(21)17(7-11)28-12-4-1-10(2-5-12)19-23-14(16(26)9-25)8-15(24-19)18(22)27/h1-8,16,25-26H,9H2,(H2,22,27)/t16-/m0/s1
PDB

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 44n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Electrophysiology: On the day of experimentation, the 35 mm dish was placed on the stage of an inverted microscope equipped with a perfusion system t...

US Patent US9133131 (2015)


BindingDB Entry DOI: 10.7270/Q23B5XX5
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM179910
PNG
(US9133131, 1)
Show SMILES NC(=O)c1cc(nc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)[C@H](O)CO |r|
Show InChI InChI=1S/C19H16FN3O4/c20-12-3-7-14(8-4-12)27-13-5-1-11(2-6-13)19-22-15(17(25)10-24)9-16(23-19)18(21)26/h1-9,17,24-25H,10H2,(H2,21,26)/t17-/m1/s1
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 60n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Electrophysiology: On the day of experimentation, the 35 mm dish was placed on the stage of an inverted microscope equipped with a perfusion system t...

US Patent US9133131 (2015)


BindingDB Entry DOI: 10.7270/Q23B5XX5
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM179911
PNG
(US9133131, 2)
Show SMILES NC(=O)c1cc(nc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)[C@@H](O)CO |r|
Show InChI InChI=1S/C19H16FN3O4/c20-12-3-7-14(8-4-12)27-13-5-1-11(2-6-13)19-22-15(17(25)10-24)9-16(23-19)18(21)26/h1-9,17,24-25H,10H2,(H2,21,26)/t17-/m0/s1
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 139n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Electrophysiology: On the day of experimentation, the 35 mm dish was placed on the stage of an inverted microscope equipped with a perfusion system t...

US Patent US9133131 (2015)


BindingDB Entry DOI: 10.7270/Q23B5XX5
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM179920
PNG
(US9133131, 11)
Show SMILES NC(=O)c1cc(nc(n1)-c1ccc(Oc2ccc(c(c2)[N+]#[C-])C(F)(F)F)cc1)[C@H](O)CO |r|
Show InChI InChI=1S/C21H15F3N4O4/c1-26-15-8-13(6-7-14(15)21(22,23)24)32-12-4-2-11(3-5-12)20-27-16(18(30)10-29)9-17(28-20)19(25)31/h2-9,18,29-30H,10H2,(H2,25,31)/t18-/m1/s1
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 147n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Electrophysiology: On the day of experimentation, the 35 mm dish was placed on the stage of an inverted microscope equipped with a perfusion system t...

US Patent US9133131 (2015)


BindingDB Entry DOI: 10.7270/Q23B5XX5
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM179922
PNG
(US9133131, 13)
Show SMILES NC(=O)c1cc(nc(n1)-c1ccc(Oc2ccc([N+]#[C-])c(c2)C(F)(F)F)cc1)[C@H](O)CO |r|
Show InChI InChI=1S/C21H15F3N4O4/c1-26-15-7-6-13(8-14(15)21(22,23)24)32-12-4-2-11(3-5-12)20-27-16(18(30)10-29)9-17(28-20)19(25)31/h2-9,18,29-30H,10H2,(H2,25,31)/t18-/m1/s1
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 195n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Electrophysiology: On the day of experimentation, the 35 mm dish was placed on the stage of an inverted microscope equipped with a perfusion system t...

US Patent US9133131 (2015)


BindingDB Entry DOI: 10.7270/Q23B5XX5
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM179921
PNG
(US9133131, 12)
Show SMILES NC(=O)c1cc(nc(n1)-c1ccc(Oc2ccc([N+]#[C-])c(c2)C(F)(F)F)cc1)[C@@H](O)CO |r|
Show InChI InChI=1S/C21H15F3N4O4/c1-26-15-7-6-13(8-14(15)21(22,23)24)32-12-4-2-11(3-5-12)20-27-16(18(30)10-29)9-17(28-20)19(25)31/h2-9,18,29-30H,10H2,(H2,25,31)/t18-/m0/s1
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 400n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Electrophysiology: On the day of experimentation, the 35 mm dish was placed on the stage of an inverted microscope equipped with a perfusion system t...

US Patent US9133131 (2015)


BindingDB Entry DOI: 10.7270/Q23B5XX5
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM179925
PNG
(US9133131, 16)
Show SMILES C[C@H](NC(=O)c1cc(nc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)[C@H](O)CO)C(N)=O |r|
Show InChI InChI=1S/C22H21FN4O5/c1-12(20(24)30)25-22(31)18-10-17(19(29)11-28)26-21(27-18)13-2-6-15(7-3-13)32-16-8-4-14(23)5-9-16/h2-10,12,19,28-29H,11H2,1H3,(H2,24,30)(H,25,31)/t12-,19+/m0/s1
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 643n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Electrophysiology: On the day of experimentation, the 35 mm dish was placed on the stage of an inverted microscope equipped with a perfusion system t...

US Patent US9133131 (2015)


BindingDB Entry DOI: 10.7270/Q23B5XX5
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM179918
PNG
(US9133131, 9)
Show SMILES NC(=O)c1cc(nc(n1)-c1ccc(Oc2ccc(Cl)cc2F)cc1)[C@@H](O)CO |r|
Show InChI InChI=1S/C19H15ClFN3O4/c20-11-3-6-17(13(21)7-11)28-12-4-1-10(2-5-12)19-23-14(16(26)9-25)8-15(24-19)18(22)27/h1-8,16,25-26H,9H2,(H2,22,27)/t16-/m0/s1
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n/an/a 67n/an/an/an/a7.3n/a



Purdue Pharma L.P.

US Patent


Assay Description
Assay Buffer: The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL...

US Patent US9133131 (2015)


BindingDB Entry DOI: 10.7270/Q23B5XX5
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM179919
PNG
(US9133131, 10)
Show SMILES NC(=O)c1cc(nc(n1)-c1ccc(Oc2ccc(Cl)cc2F)cc1)[C@H](O)CO |r|
Show InChI InChI=1S/C19H15ClFN3O4/c20-11-3-6-17(13(21)7-11)28-12-4-1-10(2-5-12)19-23-14(16(26)9-25)8-15(24-19)18(22)27/h1-8,16,25-26H,9H2,(H2,22,27)/t16-/m1/s1
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n/an/a 84n/an/an/an/a7.3n/a



Purdue Pharma L.P.

US Patent


Assay Description
Assay Buffer: The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL...

US Patent US9133131 (2015)


BindingDB Entry DOI: 10.7270/Q23B5XX5
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM179916
PNG
(US9133131, 7)
Show SMILES NC(=O)c1cc(nc(n1)-c1ccc(Oc2cc(Cl)ccc2F)cc1)[C@@H](O)CO |r|
Show InChI InChI=1S/C19H15ClFN3O4/c20-11-3-6-13(21)17(7-11)28-12-4-1-10(2-5-12)19-23-14(16(26)9-25)8-15(24-19)18(22)27/h1-8,16,25-26H,9H2,(H2,22,27)/t16-/m0/s1
PDB

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n/an/a 89n/an/an/an/a7.3n/a



Purdue Pharma L.P.

US Patent


Assay Description
Assay Buffer: The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL...

US Patent US9133131 (2015)


BindingDB Entry DOI: 10.7270/Q23B5XX5
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM179917
PNG
(US9133131, 8)
Show SMILES NC(=O)c1cc(nc(n1)-c1ccc(Oc2cc(Cl)ccc2F)cc1)[C@H](O)CO |r|
Show InChI InChI=1S/C19H15ClFN3O4/c20-11-3-6-13(21)17(7-11)28-12-4-1-10(2-5-12)19-23-14(16(26)9-25)8-15(24-19)18(22)27/h1-8,16,25-26H,9H2,(H2,22,27)/t16-/m1/s1
PDB

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n/an/a 114n/an/an/an/a7.3n/a



Purdue Pharma L.P.

US Patent


Assay Description
Assay Buffer: The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL...

US Patent US9133131 (2015)


BindingDB Entry DOI: 10.7270/Q23B5XX5
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM179926
PNG
(US9133131, 17)
Show SMILES NC(=O)c1cc(nc(n1)-c1ccc(Oc2ccc(cc2)C(F)(F)F)cc1)[C@H](O)CO |r|
Show InChI InChI=1S/C20H16F3N3O4/c21-20(22,23)12-3-7-14(8-4-12)30-13-5-1-11(2-6-13)19-25-15(17(28)10-27)9-16(26-19)18(24)29/h1-9,17,27-28H,10H2,(H2,24,29)/t17-/m1/s1
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n/an/a 133n/an/an/an/a7.3n/a



Purdue Pharma L.P.

US Patent


Assay Description
Assay Buffer: The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL...

US Patent US9133131 (2015)


BindingDB Entry DOI: 10.7270/Q23B5XX5
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM179927
PNG
(US9133131, 18)
Show SMILES NC(=O)c1cc(nc(n1)-c1ccc(Oc2ccc(cc2)C(F)(F)F)cc1)[C@@H](O)CO |r|
Show InChI InChI=1S/C20H16F3N3O4/c21-20(22,23)12-3-7-14(8-4-12)30-13-5-1-11(2-6-13)19-25-15(17(28)10-27)9-16(26-19)18(24)29/h1-9,17,27-28H,10H2,(H2,24,29)/t17-/m0/s1
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n/an/a 135n/an/an/an/a7.3n/a



Purdue Pharma L.P.

US Patent


Assay Description
Assay Buffer: The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL...

US Patent US9133131 (2015)


BindingDB Entry DOI: 10.7270/Q23B5XX5
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM179910
PNG
(US9133131, 1)
Show SMILES NC(=O)c1cc(nc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)[C@H](O)CO |r|
Show InChI InChI=1S/C19H16FN3O4/c20-12-3-7-14(8-4-12)27-13-5-1-11(2-6-13)19-22-15(17(25)10-24)9-16(23-19)18(21)26/h1-9,17,24-25H,10H2,(H2,21,26)/t17-/m1/s1
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n/an/a 195n/an/an/an/a7.3n/a



Purdue Pharma L.P.

US Patent


Assay Description
Assay Buffer: The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL...

US Patent US9133131 (2015)


BindingDB Entry DOI: 10.7270/Q23B5XX5
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM179920
PNG
(US9133131, 11)
Show SMILES NC(=O)c1cc(nc(n1)-c1ccc(Oc2ccc(c(c2)[N+]#[C-])C(F)(F)F)cc1)[C@H](O)CO |r|
Show InChI InChI=1S/C21H15F3N4O4/c1-26-15-8-13(6-7-14(15)21(22,23)24)32-12-4-2-11(3-5-12)20-27-16(18(30)10-29)9-17(28-20)19(25)31/h2-9,18,29-30H,10H2,(H2,25,31)/t18-/m1/s1
PDB

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n/an/a 279n/an/an/an/a7.3n/a



Purdue Pharma L.P.

US Patent


Assay Description
Assay Buffer: The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL...

US Patent US9133131 (2015)


BindingDB Entry DOI: 10.7270/Q23B5XX5
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM179928
PNG
(US9133131, 19)
Show SMILES NC(=O)c1cc(nc(n1)-c1ccc(Oc2ccc(cn2)C(F)(F)F)cc1)[C@H](O)CO |r|
Show InChI InChI=1S/C19H15F3N4O4/c20-19(21,22)11-3-6-16(24-8-11)30-12-4-1-10(2-5-12)18-25-13(15(28)9-27)7-14(26-18)17(23)29/h1-8,15,27-28H,9H2,(H2,23,29)/t15-/m1/s1
PDB

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n/an/a 325n/an/an/an/a7.3n/a



Purdue Pharma L.P.

US Patent


Assay Description
Assay Buffer: The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL...

US Patent US9133131 (2015)


BindingDB Entry DOI: 10.7270/Q23B5XX5
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM179911
PNG
(US9133131, 2)
Show SMILES NC(=O)c1cc(nc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)[C@@H](O)CO |r|
Show InChI InChI=1S/C19H16FN3O4/c20-12-3-7-14(8-4-12)27-13-5-1-11(2-6-13)19-22-15(17(25)10-24)9-16(23-19)18(21)26/h1-9,17,24-25H,10H2,(H2,21,26)/t17-/m0/s1
PDB

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n/an/a 344n/an/an/an/a7.3n/a



Purdue Pharma L.P.

US Patent


Assay Description
Assay Buffer: The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL...

US Patent US9133131 (2015)


BindingDB Entry DOI: 10.7270/Q23B5XX5
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM179921
PNG
(US9133131, 12)
Show SMILES NC(=O)c1cc(nc(n1)-c1ccc(Oc2ccc([N+]#[C-])c(c2)C(F)(F)F)cc1)[C@@H](O)CO |r|
Show InChI InChI=1S/C21H15F3N4O4/c1-26-15-7-6-13(8-14(15)21(22,23)24)32-12-4-2-11(3-5-12)20-27-16(18(30)10-29)9-17(28-20)19(25)31/h2-9,18,29-30H,10H2,(H2,25,31)/t18-/m0/s1
PDB

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n/an/a 384n/an/an/an/a7.3n/a



Purdue Pharma L.P.

US Patent


Assay Description
Assay Buffer: The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL...

US Patent US9133131 (2015)


BindingDB Entry DOI: 10.7270/Q23B5XX5
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM179922
PNG
(US9133131, 13)
Show SMILES NC(=O)c1cc(nc(n1)-c1ccc(Oc2ccc([N+]#[C-])c(c2)C(F)(F)F)cc1)[C@H](O)CO |r|
Show InChI InChI=1S/C21H15F3N4O4/c1-26-15-7-6-13(8-14(15)21(22,23)24)32-12-4-2-11(3-5-12)20-27-16(18(30)10-29)9-17(28-20)19(25)31/h2-9,18,29-30H,10H2,(H2,25,31)/t18-/m1/s1
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n/an/a 394n/an/an/an/a7.3n/a



Purdue Pharma L.P.

US Patent


Assay Description
Assay Buffer: The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL...

US Patent US9133131 (2015)


BindingDB Entry DOI: 10.7270/Q23B5XX5
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM179914
PNG
(US9133131, 5)
Show SMILES NC(=O)c1cc(nc(n1)-c1ccc(Oc2ccc(cc2C(F)(F)F)[N+]#[C-])cc1)[C@H](O)CO |r|
Show InChI InChI=1S/C21H15F3N4O4/c1-26-12-4-7-18(14(8-12)21(22,23)24)32-13-5-2-11(3-6-13)20-27-15(17(30)10-29)9-16(28-20)19(25)31/h2-9,17,29-30H,10H2,(H2,25,31)/t17-/m1/s1
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n/an/a 526n/an/an/an/a7.3n/a



Purdue Pharma L.P.

US Patent


Assay Description
Assay Buffer: The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL...

US Patent US9133131 (2015)


BindingDB Entry DOI: 10.7270/Q23B5XX5
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM179915
PNG
(US9133131, 6)
Show SMILES NC(=O)c1cc(nc(n1)-c1ccc(Oc2ccc(cc2C(F)(F)F)[N+]#[C-])cc1)[C@@H](O)CO |r|
Show InChI InChI=1S/C21H15F3N4O4/c1-26-12-4-7-18(14(8-12)21(22,23)24)32-13-5-2-11(3-6-13)20-27-15(17(30)10-29)9-16(28-20)19(25)31/h2-9,17,29-30H,10H2,(H2,25,31)/t17-/m0/s1
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n/an/a 593n/an/an/an/a7.3n/a



Purdue Pharma L.P.

US Patent


Assay Description
Assay Buffer: The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL...

US Patent US9133131 (2015)


BindingDB Entry DOI: 10.7270/Q23B5XX5
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM179925
PNG
(US9133131, 16)
Show SMILES C[C@H](NC(=O)c1cc(nc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)[C@H](O)CO)C(N)=O |r|
Show InChI InChI=1S/C22H21FN4O5/c1-12(20(24)30)25-22(31)18-10-17(19(29)11-28)26-21(27-18)13-2-6-15(7-3-13)32-16-8-4-14(23)5-9-16/h2-10,12,19,28-29H,11H2,1H3,(H2,24,30)(H,25,31)/t12-,19+/m0/s1
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n/an/a 593n/an/an/an/a7.3n/a



Purdue Pharma L.P.

US Patent


Assay Description
Assay Buffer: The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL...

US Patent US9133131 (2015)


BindingDB Entry DOI: 10.7270/Q23B5XX5
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM179912
PNG
(US9133131, 3)
Show SMILES NC(=O)c1cc(nc(n1)-c1ccc(Oc2ccc(cc2)[N+]#[C-])cc1)[C@H](O)CO |r|
Show InChI InChI=1S/C20H16N4O4/c1-22-13-4-8-15(9-5-13)28-14-6-2-12(3-7-14)20-23-16(18(26)11-25)10-17(24-20)19(21)27/h2-10,18,25-26H,11H2,(H2,21,27)/t18-/m1/s1
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n/an/a 958n/an/an/an/a7.3n/a



Purdue Pharma L.P.

US Patent


Assay Description
Assay Buffer: The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL...

US Patent US9133131 (2015)


BindingDB Entry DOI: 10.7270/Q23B5XX5
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM179913
PNG
(US9133131, 4)
Show SMILES NC(=O)c1cc(nc(n1)-c1ccc(Oc2ccc(cc2)[N+]#[C-])cc1)[C@@H](O)CO |r|
Show InChI InChI=1S/C20H16N4O4/c1-22-13-4-8-15(9-5-13)28-14-6-2-12(3-7-14)20-23-16(18(26)11-25)10-17(24-20)19(21)27/h2-10,18,25-26H,11H2,(H2,21,27)/t18-/m0/s1
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n/an/a 965n/an/an/an/a7.3n/a



Purdue Pharma L.P.

US Patent


Assay Description
Assay Buffer: The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL...

US Patent US9133131 (2015)


BindingDB Entry DOI: 10.7270/Q23B5XX5
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM179923
PNG
(US9133131, 14)
Show SMILES COC(=O)[C@H](C)NC(=O)c1cc(nc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)[C@H](O)CO |r|
Show InChI InChI=1S/C23H22FN3O6/c1-13(23(31)32-2)25-22(30)19-11-18(20(29)12-28)26-21(27-19)14-3-7-16(8-4-14)33-17-9-5-15(24)6-10-17/h3-11,13,20,28-29H,12H2,1-2H3,(H,25,30)/t13-,20+/m0/s1
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n/an/a 1.92E+3n/an/an/an/a7.3n/a



Purdue Pharma L.P.

US Patent


Assay Description
Assay Buffer: The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL...

US Patent US9133131 (2015)


BindingDB Entry DOI: 10.7270/Q23B5XX5
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM179924
PNG
(US9133131, 15)
Show SMILES C[C@H](NC(=O)c1cc(nc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)[C@H](O)CO)C(O)=O |r|
Show InChI InChI=1S/C22H20FN3O6/c1-12(22(30)31)24-21(29)18-10-17(19(28)11-27)25-20(26-18)13-2-6-15(7-3-13)32-16-8-4-14(23)5-9-16/h2-10,12,19,27-28H,11H2,1H3,(H,24,29)(H,30,31)/t12-,19+/m0/s1
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n/an/a>2.00E+4n/an/an/an/a7.3n/a



Purdue Pharma L.P.

US Patent


Assay Description
Assay Buffer: The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL...

US Patent US9133131 (2015)


BindingDB Entry DOI: 10.7270/Q23B5XX5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%