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Patent code US9212139

Compile Data Set for Download or QSAR
Found 88 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))		BDBM196438
PNG
(US10202344, Compound 35 | US9212139, 35)
Show SMILES NC(Cc1cn(-c2ccc(Oc3ccccc3)cc2)c2ccccc12)C(N)=O
Show InChI InChI=1S/C23H21N3O2/c24-21(23(25)27)14-16-15-26(22-9-5-4-8-20(16)22)17-10-12-19(13-11-17)28-18-6-2-1-3-7-18/h1-13,15,21H,14,24H2,(H2,25,27)
PDB

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 40n/an/an/an/an/an/a7.4n/a



Purdue Pharma, L.P.

US Patent


Assay Description
For electrophysiological recordings the external solution was either standard, DMEM supplemented with 10 mM HEPES (pH adjusted to 7.34 with NaOH and ...

US Patent US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196458
PNG
(US10202344, Compound 57 | US9212139, 57)
Show SMILES N[C@H](CO)Cc1cn(-c2ccc(Oc3cccc(c3)C#N)cc2)c2ccccc12
Show InChI InChI=1S/C24H21N3O2/c25-14-17-4-3-5-22(12-17)29-21-10-8-20(9-11-21)27-15-18(13-19(26)16-28)23-6-1-2-7-24(23)27/h1-12,15,19,28H,13,16,26H2/t19-/m0/s1
PDB

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 50n/an/an/an/an/an/a7.4n/a



Purdue Pharma, L.P.

US Patent


Assay Description
For electrophysiological recordings the external solution was either standard, DMEM supplemented with 10 mM HEPES (pH adjusted to 7.34 with NaOH and ...

US Patent US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196457
PNG
(US10202344, Compound 54 | US9212139, 54)
Show SMILES OC[C@@H](O)Cc1cn(-c2ccc(Oc3ccc(c(c3)C#N)C(F)(F)F)cc2)c2ccccc12
Show InChI InChI=1S/C25H19F3N2O3/c26-25(27,28)23-10-9-21(12-16(23)13-29)33-20-7-5-18(6-8-20)30-14-17(11-19(32)15-31)22-3-1-2-4-24(22)30/h1-10,12,14,19,31-32H,11,15H2/t19-/m0/s1
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 70n/an/an/an/an/an/a7.4n/a



Purdue Pharma, L.P.

US Patent


Assay Description
For electrophysiological recordings the external solution was either standard, DMEM supplemented with 10 mM HEPES (pH adjusted to 7.34 with NaOH and ...

US Patent US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196450
PNG
(US10202344, Compound 47 | US9212139, 47)
Show SMILES N[C@H](CO)Cc1cn(-c2ccc(Oc3ccc(c(c3)C#N)C(F)(F)F)cc2)c2ccccc12
Show InChI InChI=1S/C25H20F3N3O2/c26-25(27,28)23-10-9-21(12-16(23)13-29)33-20-7-5-19(6-8-20)31-14-17(11-18(30)15-32)22-3-1-2-4-24(22)31/h1-10,12,14,18,32H,11,15,30H2/t18-/m0/s1
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 160n/an/an/an/an/an/a7.4n/a



Purdue Pharma, L.P.

US Patent


Assay Description
For electrophysiological recordings the external solution was either standard, DMEM supplemented with 10 mM HEPES (pH adjusted to 7.34 with NaOH and ...

US Patent US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196488
PNG
(US10202344, Compound 175 | US9212139, 175)
Show SMILES OC[C@@H](O)Cc1cn(-c2ccc(Oc3ccc(cc3)C#N)cc2)c2cccnc12
Show InChI InChI=1S/C23H19N3O3/c24-13-16-3-7-20(8-4-16)29-21-9-5-18(6-10-21)26-14-17(12-19(28)15-27)23-22(26)2-1-11-25-23/h1-11,14,19,27-28H,12,15H2/t19-/m0/s1
PDB

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 170n/an/an/an/an/an/a7.4n/a



Purdue Pharma, L.P.

US Patent


Assay Description
For electrophysiological recordings the external solution was either standard, DMEM supplemented with 10 mM HEPES (pH adjusted to 7.34 with NaOH and ...

US Patent US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196484
PNG
(US10202344, Compound 155 | US9212139, 155)
Show SMILES NC(=O)c1nn(-c2ccc(Oc3ccc(cn3)C(F)(F)F)cc2)c2ccccc12
Show InChI InChI=1S/C20H13F3N4O2/c21-20(22,23)12-5-10-17(25-11-12)29-14-8-6-13(7-9-14)27-16-4-2-1-3-15(16)18(26-27)19(24)28/h1-11H,(H2,24,28)
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 250n/an/an/an/an/an/a7.4n/a



Purdue Pharma, L.P.

US Patent


Assay Description
For electrophysiological recordings the external solution was either standard, DMEM supplemented with 10 mM HEPES (pH adjusted to 7.34 with NaOH and ...

US Patent US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196441
PNG
(US10202344, Compound 34 | US9212139, 34)
Show SMILES NC(CO)Cc1cn(-c2ccc(Oc3ccccc3)cc2)c2ccccc12
Show InChI InChI=1S/C23H22N2O2/c24-18(16-26)14-17-15-25(23-9-5-4-8-22(17)23)19-10-12-21(13-11-19)27-20-6-2-1-3-7-20/h1-13,15,18,26H,14,16,24H2
PDB

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 260n/an/an/an/an/an/a7.4n/a



Purdue Pharma, L.P.

US Patent


Assay Description
For electrophysiological recordings the external solution was either standard, DMEM supplemented with 10 mM HEPES (pH adjusted to 7.34 with NaOH and ...

US Patent US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196491
PNG
(US10202344, Compound 179 | US9212139, 179)
Show SMILES CCN(CC)CCn1cc(C(O)C(N)=O)c2cc(ccc12)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C28H30FN3O3/c1-3-31(4-2)15-16-32-18-25(27(33)28(30)34)24-17-20(7-14-26(24)32)19-5-10-22(11-6-19)35-23-12-8-21(29)9-13-23/h5-14,17-18,27,33H,3-4,15-16H2,1-2H3,(H2,30,34)
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 270n/an/an/an/an/an/a7.4n/a



Purdue Pharma, L.P.

US Patent


Assay Description
For electrophysiological recordings the external solution was either standard, DMEM supplemented with 10 mM HEPES (pH adjusted to 7.34 with NaOH and ...

US Patent US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196451
PNG
(US10202344, Compound 44 | US9212139, 44)
Show SMILES N[C@@H](CO)Cc1cn(-c2ccc(Oc3ccc(c(c3)C#N)C(F)(F)F)cc2)c2ccccc12
Show InChI InChI=1S/C25H20F3N3O2/c26-25(27,28)23-10-9-21(12-16(23)13-29)33-20-7-5-19(6-8-20)31-14-17(11-18(30)15-32)22-3-1-2-4-24(22)31/h1-10,12,14,18,32H,11,15,30H2/t18-/m1/s1
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 290n/an/an/an/an/an/a7.4n/a



Purdue Pharma, L.P.

US Patent


Assay Description
For electrophysiological recordings the external solution was either standard, DMEM supplemented with 10 mM HEPES (pH adjusted to 7.34 with NaOH and ...

US Patent US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196476
PNG
(US10202344, Compound 122 | US9212139, 122)
Show SMILES NC(=O)c1cccc2n(cc(C[C@H](O)CO)c12)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C24H21FN2O4/c25-16-4-8-19(9-5-16)31-20-10-6-17(7-11-20)27-13-15(12-18(29)14-28)23-21(24(26)30)2-1-3-22(23)27/h1-11,13,18,28-29H,12,14H2,(H2,26,30)/t18-/m0/s1
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 300n/an/an/an/an/an/a7.4n/a



Purdue Pharma, L.P.

US Patent


Assay Description
For electrophysiological recordings the external solution was either standard, DMEM supplemented with 10 mM HEPES (pH adjusted to 7.34 with NaOH and ...

US Patent US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196439
PNG
(US10202344, Compound 10 | US9212139, 10)
Show SMILES NC(CO)Cc1c[nH]c2ccc(cc12)-c1ccc(Oc2ccccc2)cc1
PDB

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 360n/an/an/an/an/an/a7.4n/a



Purdue Pharma, L.P.

US Patent


Assay Description
For electrophysiological recordings the external solution was either standard, DMEM supplemented with 10 mM HEPES (pH adjusted to 7.34 with NaOH and ...

US Patent US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196460
PNG
(US10202344, Compound 60 | US9212139, 60)
Show SMILES NC(=O)C(O)c1cn(-c2ccc(Oc3ccc(c(c3)C#N)C(F)(F)F)cc2)c2ccccc12
Show InChI InChI=1S/C24H16F3N3O3/c25-24(26,27)20-10-9-17(11-14(20)12-28)33-16-7-5-15(6-8-16)30-13-19(22(31)23(29)32)18-3-1-2-4-21(18)30/h1-11,13,22,31H,(H2,29,32)
PDB

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 400n/an/an/an/an/an/a7.4n/a



Purdue Pharma, L.P.

US Patent


Assay Description
For electrophysiological recordings the external solution was either standard, DMEM supplemented with 10 mM HEPES (pH adjusted to 7.34 with NaOH and ...

US Patent US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196486
PNG
(US10202344, Compound 166 | US9212139, 166)
Show SMILES OC[C@H](O)c1nn(-c2ccc(Oc3ccc(cc3)C(F)(F)F)cc2)c2cnccc12
Show InChI InChI=1S/C21H16F3N3O3/c22-21(23,24)13-1-5-15(6-2-13)30-16-7-3-14(4-8-16)27-18-11-25-10-9-17(18)20(26-27)19(29)12-28/h1-11,19,28-29H,12H2/t19-/m0/s1
PDB

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 640n/an/an/an/an/an/a7.4n/a



Purdue Pharma, L.P.

US Patent


Assay Description
For electrophysiological recordings the external solution was either standard, DMEM supplemented with 10 mM HEPES (pH adjusted to 7.34 with NaOH and ...

US Patent US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196442
PNG
(US10202344, Compound 8 | US9212139, 8)
Show SMILES NC(Cc1c[nH]c2ccc(cc12)-c1ccc(Oc2ccccc2)cc1)C(N)=O
PDB

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 670n/an/an/an/an/an/a7.4n/a



Purdue Pharma, L.P.

US Patent


Assay Description
For electrophysiological recordings the external solution was either standard, DMEM supplemented with 10 mM HEPES (pH adjusted to 7.34 with NaOH and ...

US Patent US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196436
PNG
(US10202344, Compound 22 | US9212139, 22)
Show SMILES NC(CO)Cc1c[nH]c2c(cccc12)-c1ccc(Oc2ccccc2)cc1
PDB

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 830n/an/an/an/an/an/a7.4n/a



Purdue Pharma, L.P.

US Patent


Assay Description
For electrophysiological recordings the external solution was either standard, DMEM supplemented with 10 mM HEPES (pH adjusted to 7.34 with NaOH and ...

US Patent US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196464
PNG
(US10202344, Compound 74 | US9212139, 74)
Show SMILES OC[C@@H](O)Cc1cn(C[C@H](O)CO)c2ccc(cc12)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C26H26FNO5/c27-20-4-8-24(9-5-20)33-23-6-1-17(2-7-23)18-3-10-26-25(12-18)19(11-21(31)15-29)13-28(26)14-22(32)16-30/h1-10,12-13,21-22,29-32H,11,14-16H2/t21-,22-/m0/s1
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 920n/an/an/an/an/an/a7.4n/a



Purdue Pharma, L.P.

US Patent


Assay Description
For electrophysiological recordings the external solution was either standard, DMEM supplemented with 10 mM HEPES (pH adjusted to 7.34 with NaOH and ...

US Patent US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196485
PNG
(US10202344, Compound 159 | US9212139, 159)
Show SMILES OCC(O)CNC(=O)c1nn(-c2ccc(Oc3ccc(cc3)C#N)cc2)c2ccccc12
Show InChI InChI=1S/C24H20N4O4/c25-13-16-5-9-19(10-6-16)32-20-11-7-17(8-12-20)28-22-4-2-1-3-21(22)23(27-28)24(31)26-14-18(30)15-29/h1-12,18,29-30H,14-15H2,(H,26,31)
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 930n/an/an/an/an/an/a7.4n/a



Purdue Pharma, L.P.

US Patent


Assay Description
For electrophysiological recordings the external solution was either standard, DMEM supplemented with 10 mM HEPES (pH adjusted to 7.34 with NaOH and ...

US Patent US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196454
PNG
(US10202344, Compound 48 | US9212139, 48)
Show SMILES CN(C)CCc1cn(-c2ccc(Oc3ccccc3)cc2)c2ccc(C[C@H](N)CO)cc12
Show InChI InChI=1S/C27H31N3O2/c1-29(2)15-14-21-18-30(27-13-8-20(17-26(21)27)16-22(28)19-31)23-9-11-25(12-10-23)32-24-6-4-3-5-7-24/h3-13,17-18,22,31H,14-16,19,28H2,1-2H3/t22-/m0/s1
PDB

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 1.31E+3n/an/an/an/an/an/a7.4n/a



Purdue Pharma, L.P.

US Patent


Assay Description
For electrophysiological recordings the external solution was either standard, DMEM supplemented with 10 mM HEPES (pH adjusted to 7.34 with NaOH and ...

US Patent US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196453
PNG
(US10202344, Compound 45 | US9212139, 45)
Show SMILES CN(C)CCc1cn(-c2ccc(Oc3ccccc3)cc2)c2ccc(C[C@H]3COC(=O)N3)cc12
Show InChI InChI=1S/C28H29N3O3/c1-30(2)15-14-21-18-31(23-9-11-25(12-10-23)34-24-6-4-3-5-7-24)27-13-8-20(17-26(21)27)16-22-19-33-28(32)29-22/h3-13,17-18,22H,14-16,19H2,1-2H3,(H,29,32)/t22-/m0/s1
PDB

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 1.31E+3n/an/an/an/an/an/a7.4n/a



Purdue Pharma, L.P.

US Patent


Assay Description
For electrophysiological recordings the external solution was either standard, DMEM supplemented with 10 mM HEPES (pH adjusted to 7.34 with NaOH and ...

US Patent US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196461
PNG
(US10202344, Compound 65 | US9212139, 65)
Show SMILES COC(=O)c1ccc2c(cn(-c3ccc(Oc4ccc(c(c4)C#N)C(F)(F)F)cc3)c2c1)C(O)C(N)=O
Show InChI InChI=1S/C26H18F3N3O5/c1-36-25(35)14-2-8-19-20(23(33)24(31)34)13-32(22(19)11-14)16-3-5-17(6-4-16)37-18-7-9-21(26(27,28)29)15(10-18)12-30/h2-11,13,23,33H,1H3,(H2,31,34)
PDB

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 1.91E+3n/an/an/an/an/an/a7.4n/a



Purdue Pharma, L.P.

US Patent


Assay Description
For electrophysiological recordings the external solution was either standard, DMEM supplemented with 10 mM HEPES (pH adjusted to 7.34 with NaOH and ...

US Patent US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196463
PNG
(US10202344, Compound 69 | US9212139, 69)
Show SMILES OC[C@@H](O)CNC(=O)C(O)c1cn(-c2ccc(Oc3ccc(c(c3)C#N)C(F)(F)F)cc2)c2ccccc12
Show InChI InChI=1S/C27H22F3N3O5/c28-27(29,30)23-10-9-20(11-16(23)12-31)38-19-7-5-17(6-8-19)33-14-22(21-3-1-2-4-24(21)33)25(36)26(37)32-13-18(35)15-34/h1-11,14,18,25,34-36H,13,15H2,(H,32,37)/t18-,25?/m0/s1
PDB

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US Patent
 2.67E+3n/an/an/an/an/an/a7.4n/a



Purdue Pharma, L.P.

US Patent


Assay Description
For electrophysiological recordings the external solution was either standard, DMEM supplemented with 10 mM HEPES (pH adjusted to 7.34 with NaOH and ...

US Patent US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196436
PNG
(US10202344, Compound 22 | US9212139, 22)
Show SMILES NC(CO)Cc1c[nH]c2c(cccc12)-c1ccc(Oc2ccccc2)cc1
PDB

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n/an/a 151n/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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196479
PNG
(US10202344, Compound 144 | US9212139, 144)
Show SMILES OCCNC(=O)c1nn(-c2ccc(Oc3ccccc3)cc2)c2ccccc12
Show InChI InChI=1S/C22H19N3O3/c26-15-14-23-22(27)21-19-8-4-5-9-20(19)25(24-21)16-10-12-18(13-11-16)28-17-6-2-1-3-7-17/h1-13,26H,14-15H2,(H,23,27)
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n/an/a 160n/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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196457
PNG
(US10202344, Compound 54 | US9212139, 54)
Show SMILES OC[C@@H](O)Cc1cn(-c2ccc(Oc3ccc(c(c3)C#N)C(F)(F)F)cc2)c2ccccc12
Show InChI InChI=1S/C25H19F3N2O3/c26-25(27,28)23-10-9-21(12-16(23)13-29)33-20-7-5-18(6-8-20)30-14-17(11-19(32)15-31)22-3-1-2-4-24(22)30/h1-10,12,14,19,31-32H,11,15H2/t19-/m0/s1
PDB

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n/an/a 210n/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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196450
PNG
(US10202344, Compound 47 | US9212139, 47)
Show SMILES N[C@H](CO)Cc1cn(-c2ccc(Oc3ccc(c(c3)C#N)C(F)(F)F)cc2)c2ccccc12
Show InChI InChI=1S/C25H20F3N3O2/c26-25(27,28)23-10-9-21(12-16(23)13-29)33-20-7-5-19(6-8-20)31-14-17(11-18(30)15-32)22-3-1-2-4-24(22)31/h1-10,12,14,18,32H,11,15,30H2/t18-/m0/s1
PDB

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n/an/a 213n/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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196476
PNG
(US10202344, Compound 122 | US9212139, 122)
Show SMILES NC(=O)c1cccc2n(cc(C[C@H](O)CO)c12)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C24H21FN2O4/c25-16-4-8-19(9-5-16)31-20-10-6-17(7-11-20)27-13-15(12-18(29)14-28)23-21(24(26)30)2-1-3-22(23)27/h1-11,13,18,28-29H,12,14H2,(H2,26,30)/t18-/m0/s1
PDB

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n/an/a 222n/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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196460
PNG
(US10202344, Compound 60 | US9212139, 60)
Show SMILES NC(=O)C(O)c1cn(-c2ccc(Oc3ccc(c(c3)C#N)C(F)(F)F)cc2)c2ccccc12
Show InChI InChI=1S/C24H16F3N3O3/c25-24(26,27)20-10-9-17(11-14(20)12-28)33-16-7-5-15(6-8-16)30-13-19(22(31)23(29)32)18-3-1-2-4-21(18)30/h1-11,13,22,31H,(H2,29,32)
PDB

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n/an/a 224n/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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196437
PNG
(US10202344, Compound 28 | US9212139, 28)
Show SMILES NC(Cc1c([nH]c2ccccc12)-c1ccc(Oc2ccccc2)cc1)C(N)=O
PDB

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n/an/a 240n/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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196467
PNG
(US10202344, Compound 83 | US9212139, 83)
Show SMILES OC[C@@H](O)Cc1cn(-c2ccc(Oc3ccc(cn3)C(F)(F)F)cc2)c2ccccc12
Show InChI InChI=1S/C23H19F3N2O3/c24-23(25,26)16-5-10-22(27-12-16)31-19-8-6-17(7-9-19)28-13-15(11-18(30)14-29)20-3-1-2-4-21(20)28/h1-10,12-13,18,29-30H,11,14H2/t18-/m0/s1
PDB

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n/an/a 257n/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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196456
PNG
(US10202344, Compound 51 | US9212139, 51)
Show SMILES OCC(O)c1cn(-c2ccc(Oc3ccc(c(c3)C#N)C(F)(F)F)cc2)c2ccccc12
Show InChI InChI=1S/C24H17F3N2O3/c25-24(26,27)21-10-9-18(11-15(21)12-28)32-17-7-5-16(6-8-17)29-13-20(23(31)14-30)19-3-1-2-4-22(19)29/h1-11,13,23,30-31H,14H2
PDB

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n/an/a 260n/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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196475
PNG
(US10202344, Compound 120 | US9212139, 120)
Show SMILES OC[C@@H](O)Cc1cn(-c2ccc(Oc3ccc(F)cc3)cc2)c2cccc(C#N)c12
Show InChI InChI=1S/C24H19FN2O3/c25-18-4-8-21(9-5-18)30-22-10-6-19(7-11-22)27-14-17(12-20(29)15-28)24-16(13-26)2-1-3-23(24)27/h1-11,14,20,28-29H,12,15H2/t20-/m0/s1
PDB

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n/an/a 262n/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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196497
PNG
(US10202344, Compound 200 | US9212139, 200)
Show SMILES OCCn1cc(C[C@H](O)CO)c2cc(ccc12)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C25H24FNO4/c26-20-4-8-23(9-5-20)31-22-6-1-17(2-7-22)18-3-10-25-24(14-18)19(13-21(30)16-29)15-27(25)11-12-28/h1-10,14-15,21,28-30H,11-13,16H2/t21-/m0/s1
PDB

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n/an/a 273n/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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196495
PNG
(US10202344, Compound 195 | US9212139, 195)
Show SMILES NC(=O)C(O)c1cn(-c2ccc(Oc3ccc(cn3)C(F)(F)F)cc2)c2ccccc12
Show InChI InChI=1S/C22H16F3N3O3/c23-22(24,25)13-5-10-19(27-11-13)31-15-8-6-14(7-9-15)28-12-17(20(29)21(26)30)16-3-1-2-4-18(16)28/h1-12,20,29H,(H2,26,30)
PDB

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n/an/a 276n/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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196438
PNG
(US10202344, Compound 35 | US9212139, 35)
Show SMILES NC(Cc1cn(-c2ccc(Oc3ccccc3)cc2)c2ccccc12)C(N)=O
Show InChI InChI=1S/C23H21N3O2/c24-21(23(25)27)14-16-15-26(22-9-5-4-8-20(16)22)17-10-12-19(13-11-17)28-18-6-2-1-3-7-18/h1-13,15,21H,14,24H2,(H2,25,27)
PDB

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n/an/a 278n/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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196439
PNG
(US10202344, Compound 10 | US9212139, 10)
Show SMILES NC(CO)Cc1c[nH]c2ccc(cc12)-c1ccc(Oc2ccccc2)cc1
PDB

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n/an/a 296n/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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196451
PNG
(US10202344, Compound 44 | US9212139, 44)
Show SMILES N[C@@H](CO)Cc1cn(-c2ccc(Oc3ccc(c(c3)C#N)C(F)(F)F)cc2)c2ccccc12
Show InChI InChI=1S/C25H20F3N3O2/c26-25(27,28)23-10-9-21(12-16(23)13-29)33-20-7-5-19(6-8-20)31-14-17(11-18(30)15-32)22-3-1-2-4-24(22)31/h1-10,12,14,18,32H,11,15,30H2/t18-/m1/s1
PDB

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n/an/a 304n/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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196480
PNG
(US10202344, Compound 145 | US9212139, 145)
Show SMILES NC(=O)c1nn(-c2ccc(Oc3ccccc3)cc2)c2ccccc12
Show InChI InChI=1S/C20H15N3O2/c21-20(24)19-17-8-4-5-9-18(17)23(22-19)14-10-12-16(13-11-14)25-15-6-2-1-3-7-15/h1-13H,(H2,21,24)
PDB

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n/an/a 326n/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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196496
PNG
(US10202344, Compound 196 | US9212139, 196)
Show SMILES N[C@H](CO)Cc1cn(-c2ccc(Oc3ccc(cn3)C(F)(F)F)cc2)c2ccccc12
Show InChI InChI=1S/C23H20F3N3O2/c24-23(25,26)16-5-10-22(28-12-16)31-19-8-6-18(7-9-19)29-13-15(11-17(27)14-30)20-3-1-2-4-21(20)29/h1-10,12-13,17,30H,11,14,27H2/t17-/m0/s1
PDB

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n/an/a 340n/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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196501
PNG
(US9212139, 164)
Show SMILES OCCc1cn(-c2ccc(Oc3ccc(cc3)C(F)(F)F)cc2)c2cnccc12
Show InChI InChI=1S/C22H17F3N2O2/c23-22(24,25)16-1-5-18(6-2-16)29-19-7-3-17(4-8-19)27-14-15(10-12-28)20-9-11-26-13-21(20)27/h1-9,11,13-14,28H,10,12H2
PDB

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n/an/a 345n/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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196484
PNG
(US10202344, Compound 155 | US9212139, 155)
Show SMILES NC(=O)c1nn(-c2ccc(Oc3ccc(cn3)C(F)(F)F)cc2)c2ccccc12
Show InChI InChI=1S/C20H13F3N4O2/c21-20(22,23)12-5-10-17(25-11-12)29-14-8-6-13(7-9-14)27-16-4-2-1-3-15(16)18(26-27)19(24)28/h1-11H,(H2,24,28)
PDB

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n/an/a 362n/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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196440
PNG
(US10202344, Compound 37 | US9212139, 37)
Show SMILES NC(Cc1cn(-c2ccc(Oc3ccccc3)cc2)c2ccccc12)C(=O)NCCO
Show InChI InChI=1S/C25H25N3O3/c26-23(25(30)27-14-15-29)16-18-17-28(24-9-5-4-8-22(18)24)19-10-12-21(13-11-19)31-20-6-2-1-3-7-20/h1-13,17,23,29H,14-16,26H2,(H,27,30)
PDB

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n/an/a 364n/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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196458
PNG
(US10202344, Compound 57 | US9212139, 57)
Show SMILES N[C@H](CO)Cc1cn(-c2ccc(Oc3cccc(c3)C#N)cc2)c2ccccc12
Show InChI InChI=1S/C24H21N3O2/c25-14-17-4-3-5-22(12-17)29-21-10-8-20(9-11-21)27-15-18(13-19(26)16-28)23-6-1-2-7-24(23)27/h1-12,15,19,28H,13,16,26H2/t19-/m0/s1
PDB

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n/an/a 383n/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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196441
PNG
(US10202344, Compound 34 | US9212139, 34)
Show SMILES NC(CO)Cc1cn(-c2ccc(Oc3ccccc3)cc2)c2ccccc12
Show InChI InChI=1S/C23H22N2O2/c24-18(16-26)14-17-15-25(23-9-5-4-8-22(17)23)19-10-12-21(13-11-19)27-20-6-2-1-3-7-20/h1-13,15,18,26H,14,16,24H2
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n/an/a 389n/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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196442
PNG
(US10202344, Compound 8 | US9212139, 8)
Show SMILES NC(Cc1c[nH]c2ccc(cc12)-c1ccc(Oc2ccccc2)cc1)C(N)=O
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n/an/a 399n/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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196502
PNG
(US10202344, Compound 193 | US9212139, 193)
Show SMILES NC(=O)C(O)c1cn(-c2ccc(Oc3ccc(C#N)c(c3)C(F)(F)F)cc2)c2ccccc12
Show InChI InChI=1S/C24H16F3N3O3/c25-24(26,27)20-11-17(8-5-14(20)12-28)33-16-9-6-15(7-10-16)30-13-19(22(31)23(29)32)18-3-1-2-4-21(18)30/h1-11,13,22,31H,(H2,29,32)
PDB

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n/an/a 414n/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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196485
PNG
(US10202344, Compound 159 | US9212139, 159)
Show SMILES OCC(O)CNC(=O)c1nn(-c2ccc(Oc3ccc(cc3)C#N)cc2)c2ccccc12
Show InChI InChI=1S/C24H20N4O4/c25-13-16-5-9-19(10-6-16)32-20-11-7-17(8-12-20)28-22-4-2-1-3-21(22)23(27-28)24(31)26-14-18(30)15-29/h1-12,18,29-30H,14-15H2,(H,26,31)
PDB

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n/an/a 431n/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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196474
PNG
(US10202344, Compound 115 | US9212139, 115)
Show SMILES OC[C@@H](O)Cc1cn(-c2ccc(Oc3ccc(F)cc3)cc2)c2c(cccc12)C#N
Show InChI InChI=1S/C24H19FN2O3/c25-18-4-8-21(9-5-18)30-22-10-6-19(7-11-22)27-14-17(12-20(29)15-28)23-3-1-2-16(13-26)24(23)27/h1-11,14,20,28-29H,12,15H2/t20-/m0/s1
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n/an/a 474n/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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196494
PNG
(US10202344, Compound 192 | US9212139, 192)
Show SMILES NC(=O)C(O)(c1cn(-c2ccc(Oc3ccc(C#N)c(c3)C(F)(F)F)cc2)c2ccccc12)C(F)(F)F
Show InChI InChI=1S/C25H15F6N3O3/c26-24(27,28)19-11-17(8-5-14(19)12-32)37-16-9-6-15(7-10-16)34-13-20(18-3-1-2-4-21(18)34)23(36,22(33)35)25(29,30)31/h1-11,13,36H,(H2,33,35)
PDB

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n/an/a 475n/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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196466
PNG
(US10202344, Compound 77 | US9212139, 77)
Show SMILES OC[C@H](O)Cc1cn(-c2ccc(Oc3ccc(cc3)C#N)cc2)c2ccccc12
Show InChI InChI=1S/C24H20N2O3/c25-14-17-5-9-21(10-6-17)29-22-11-7-19(8-12-22)26-15-18(13-20(28)16-27)23-3-1-2-4-24(23)26/h1-12,15,20,27-28H,13,16H2/t20-/m1/s1
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n/an/a 480n/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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196443
PNG
(US10202344, Compound 7 | US9212139, 7)
Show SMILES CCOC(=O)C(N)Cc1c[nH]c2ccc(cc12)-c1ccc(Oc2ccccc2)cc1
PDB

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n/an/a 481n/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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196486
PNG
(US10202344, Compound 166 | US9212139, 166)
Show SMILES OC[C@H](O)c1nn(-c2ccc(Oc3ccc(cc3)C(F)(F)F)cc2)c2cnccc12
Show InChI InChI=1S/C21H16F3N3O3/c22-21(23,24)13-1-5-15(6-2-13)30-16-7-3-14(4-8-16)27-18-11-25-10-9-17(18)20(26-27)19(29)12-28/h1-11,19,28-29H,12H2/t19-/m0/s1
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n/an/a 486n/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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196464
PNG
(US10202344, Compound 74 | US9212139, 74)
Show SMILES OC[C@@H](O)Cc1cn(C[C@H](O)CO)c2ccc(cc12)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C26H26FNO5/c27-20-4-8-24(9-5-20)33-23-6-1-17(2-7-23)18-3-10-26-25(12-18)19(11-21(31)15-29)13-28(26)14-22(32)16-30/h1-10,12-13,21-22,29-32H,11,14-16H2/t21-,22-/m0/s1
PDB

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n/an/a 500n/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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196465
PNG
(US10202344, Compound 76 | US9212139, 76)
Show SMILES OC[C@@H](O)Cc1cn(-c2ccc(Oc3ccc(cc3)C#N)cc2)c2ccccc12
Show InChI InChI=1S/C24H20N2O3/c25-14-17-5-9-21(10-6-17)29-22-11-7-19(8-12-22)26-15-18(13-20(28)16-27)23-3-1-2-4-24(23)26/h1-12,15,20,27-28H,13,16H2/t20-/m0/s1
PDB

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n/an/a 501n/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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196468
PNG
(US10202344, Compound 80 | US9212139, 80)
Show SMILES OC[C@@H](O)Cc1cn(-c2ccc(Oc3ccc(cc3)C(F)(F)F)cc2)c2ccccc12
Show InChI InChI=1S/C24H20F3NO3/c25-24(26,27)17-5-9-20(10-6-17)31-21-11-7-18(8-12-21)28-14-16(13-19(30)15-29)22-3-1-2-4-23(22)28/h1-12,14,19,29-30H,13,15H2/t19-/m0/s1
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n/an/a 524n/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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196461
PNG
(US10202344, Compound 65 | US9212139, 65)
Show SMILES COC(=O)c1ccc2c(cn(-c3ccc(Oc4ccc(c(c4)C#N)C(F)(F)F)cc3)c2c1)C(O)C(N)=O
Show InChI InChI=1S/C26H18F3N3O5/c1-36-25(35)14-2-8-19-20(23(33)24(31)34)13-32(22(19)11-14)16-3-5-17(6-4-16)37-18-7-9-21(26(27,28)29)15(10-18)12-30/h2-11,13,23,33H,1H3,(H2,31,34)
PDB

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n/an/a 536n/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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196488
PNG
(US10202344, Compound 175 | US9212139, 175)
Show SMILES OC[C@@H](O)Cc1cn(-c2ccc(Oc3ccc(cc3)C#N)cc2)c2cccnc12
Show InChI InChI=1S/C23H19N3O3/c24-13-16-3-7-20(8-4-16)29-21-9-5-18(6-10-21)26-14-17(12-19(28)15-27)23-22(26)2-1-11-25-23/h1-11,14,19,27-28H,12,15H2/t19-/m0/s1
PDB

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n/an/a 549n/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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196462
PNG
(US10202344, Compound 68 | US9212139, 68)
Show SMILES OC[C@@H](O)CNC(=O)C(=O)c1cn(-c2ccc(Oc3ccc(c(c3)C#N)C(F)(F)F)cc2)c2ccccc12
Show InChI InChI=1S/C27H20F3N3O5/c28-27(29,30)23-10-9-20(11-16(23)12-31)38-19-7-5-17(6-8-19)33-14-22(21-3-1-2-4-24(21)33)25(36)26(37)32-13-18(35)15-34/h1-11,14,18,34-35H,13,15H2,(H,32,37)/t18-/m0/s1
PDB

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n/an/a 572n/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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196483
PNG
(US10202344, Compound 152 | US9212139, 152)
Show SMILES NC(=O)c1nn(-c2ccc(Oc3ccc(c(c3)C#N)C(F)(F)F)cc2)c2ccccc12
Show InChI InChI=1S/C22H13F3N4O2/c23-22(24,25)18-10-9-16(11-13(18)12-26)31-15-7-5-14(6-8-15)29-19-4-2-1-3-17(19)20(28-29)21(27)30/h1-11H,(H2,27,30)
PDB

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n/an/a 602n/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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196455
PNG
(US10202344, Compound 43 | US9212139, 43)
Show SMILES NCCc1cn(-c2ccc(Oc3ccccc3)cc2)c2ccccc12
Show InChI InChI=1S/C22H20N2O/c23-15-14-17-16-24(22-9-5-4-8-21(17)22)18-10-12-20(13-11-18)25-19-6-2-1-3-7-19/h1-13,16H,14-15,23H2
PDB

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n/an/a 684n/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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196452
PNG
(US10202344, Compound 46 | US9212139, 46)
Show SMILES FC(F)(F)c1ccc(Oc2ccc(cc2)-n2cc(C[C@H]3COC(=O)N3)c3ccccc23)cc1C#N
Show InChI InChI=1S/C26H18F3N3O3/c27-26(28,29)23-10-9-21(12-16(23)13-30)35-20-7-5-19(6-8-20)32-14-17(11-18-15-34-25(33)31-18)22-3-1-2-4-24(22)32/h1-10,12,14,18H,11,15H2,(H,31,33)/t18-/m0/s1
PDB

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n/an/a 715n/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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196493
PNG
(US10202344, Compound 186 | US9212139, 186)
Show SMILES NC(=O)Cn1cc(C[C@H](O)CO)c2cc(ccc12)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C25H23FN2O4/c26-19-4-8-22(9-5-19)32-21-6-1-16(2-7-21)17-3-10-24-23(12-17)18(11-20(30)15-29)13-28(24)14-25(27)31/h1-10,12-13,20,29-30H,11,14-15H2,(H2,27,31)/t20-/m0/s1
PDB

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n/an/a 717n/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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196463
PNG
(US10202344, Compound 69 | US9212139, 69)
Show SMILES OC[C@@H](O)CNC(=O)C(O)c1cn(-c2ccc(Oc3ccc(c(c3)C#N)C(F)(F)F)cc2)c2ccccc12
Show InChI InChI=1S/C27H22F3N3O5/c28-27(29,30)23-10-9-20(11-16(23)12-31)38-19-7-5-17(6-8-19)33-14-22(21-3-1-2-4-24(21)33)25(36)26(37)32-13-18(35)15-34/h1-11,14,18,25,34-36H,13,15H2,(H,32,37)/t18-,25?/m0/s1
PDB

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n/an/a 732n/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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196498
PNG
(US9212139, 50)
Show SMILES OC(=O)C(=O)c1cn(-c2ccc(Oc3ccc(c(c3)C#N)C(F)(F)F)cc2)c2ccccc12
Show InChI InChI=1S/C24H13F3N2O4/c25-24(26,27)20-10-9-17(11-14(20)12-28)33-16-7-5-15(6-8-16)29-13-19(22(30)23(31)32)18-3-1-2-4-21(18)29/h1-11,13H,(H,31,32)
PDB

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US Patent
n/an/a 740n/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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196469
PNG
(US10202344, Compound 90 | US9212139, 90)
Show SMILES CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(cc1)-n1cc(C[C@H](O)CO)c2ccccc12
Show InChI InChI=1S/C24H23FN2O4S/c1-26(19-8-6-18(25)7-9-19)32(30,31)22-12-10-20(11-13-22)27-15-17(14-21(29)16-28)23-4-2-3-5-24(23)27/h2-13,15,21,28-29H,14,16H2,1H3/t21-/m0/s1
PDB

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n/an/a 865n/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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196489
PNG
(US10202344, Compound 177 | US9212139, 177)
Show SMILES CCN(CC)CCn1ccc2cc(ccc12)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C26H27FN2O/c1-3-28(4-2)17-18-29-16-15-22-19-21(7-14-26(22)29)20-5-10-24(11-6-20)30-25-12-8-23(27)9-13-25/h5-16,19H,3-4,17-18H2,1-2H3
PDB

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n/an/a 895n/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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196491
PNG
(US10202344, Compound 179 | US9212139, 179)
Show SMILES CCN(CC)CCn1cc(C(O)C(N)=O)c2cc(ccc12)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C28H30FN3O3/c1-3-31(4-2)15-16-32-18-25(27(33)28(30)34)24-17-20(7-14-26(24)32)19-5-10-22(11-6-19)35-23-12-8-21(29)9-13-23/h5-14,17-18,27,33H,3-4,15-16H2,1-2H3,(H2,30,34)
PDB

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n/an/a 912n/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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196444
PNG
(US10202344, Compound 39 | US9212139, 39)
Show SMILES CS(=O)(=O)NC(Cc1cn(-c2ccc(Oc3ccccc3)cc2)c2ccccc12)C(N)=O
Show InChI InChI=1S/C24H23N3O4S/c1-32(29,30)26-22(24(25)28)15-17-16-27(23-10-6-5-9-21(17)23)18-11-13-20(14-12-18)31-19-7-3-2-4-8-19/h2-14,16,22,26H,15H2,1H3,(H2,25,28)
PDB

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n/an/a 1.01E+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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196490
PNG
(US10202344, Compound 178 | US9212139, 178)
Show SMILES CCN(CC)CCn1cc(C(=O)C(N)=O)c2cc(ccc12)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C28H28FN3O3/c1-3-31(4-2)15-16-32-18-25(27(33)28(30)34)24-17-20(7-14-26(24)32)19-5-10-22(11-6-19)35-23-12-8-21(29)9-13-23/h5-14,17-18H,3-4,15-16H2,1-2H3,(H2,30,34)
PDB

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n/an/a 1.03E+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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196492
PNG
(US10202344, Compound 182 | US9212139, 182)
Show SMILES CCN(CC)CCn1cc(C[C@H](O)CO)c2cc(ccc12)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C29H33FN2O3/c1-3-31(4-2)15-16-32-19-23(17-25(34)20-33)28-18-22(7-14-29(28)32)21-5-10-26(11-6-21)35-27-12-8-24(30)9-13-27/h5-14,18-19,25,33-34H,3-4,15-17,20H2,1-2H3/t25-/m0/s1
PDB

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n/an/a 1.07E+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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196487
PNG
(US10202344, Compound 170 | US9212139, 170)
Show SMILES OC[C@@H](O)Cc1cn(-c2ccc(Oc3ccc(F)cc3)cc2)c2cnccc12
Show InChI InChI=1S/C22H19FN2O3/c23-16-1-5-19(6-2-16)28-20-7-3-17(4-8-20)25-13-15(11-18(27)14-26)21-9-10-24-12-22(21)25/h1-10,12-13,18,26-27H,11,14H2/t18-/m0/s1
PDB

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n/an/a 1.38E+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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196472
PNG
(US10202344, Compound 105 | US9212139, 105)
Show SMILES OC[C@@H](O)Cc1cn(-c2ccc(Oc3ccc(F)cc3)cc2)c2cc(ccc12)C#N
Show InChI InChI=1S/C24H19FN2O3/c25-18-2-6-21(7-3-18)30-22-8-4-19(5-9-22)27-14-17(12-20(29)15-28)23-10-1-16(13-26)11-24(23)27/h1-11,14,20,28-29H,12,15H2/t20-/m0/s1
PDB

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n/an/a 1.65E+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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196470
PNG
(US10202344, Compound 92 | US9212139, 92)
Show SMILES OC[C@@H](O)Cc1cn(-c2ccc(cc2)S(=O)(=O)Nc2ccc(F)cc2)c2ccccc12
Show InChI InChI=1S/C23H21FN2O4S/c24-17-5-7-18(8-6-17)25-31(29,30)21-11-9-19(10-12-21)26-14-16(13-20(28)15-27)22-3-1-2-4-23(22)26/h1-12,14,20,25,27-28H,13,15H2/t20-/m0/s1
PDB

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n/an/a 1.89E+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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196453
PNG
(US10202344, Compound 45 | US9212139, 45)
Show SMILES CN(C)CCc1cn(-c2ccc(Oc3ccccc3)cc2)c2ccc(C[C@H]3COC(=O)N3)cc12
Show InChI InChI=1S/C28H29N3O3/c1-30(2)15-14-21-18-31(23-9-11-25(12-10-23)34-24-6-4-3-5-7-24)27-13-8-20(17-26(21)27)16-22-19-33-28(32)29-22/h3-13,17-18,22H,14-16,19H2,1-2H3,(H,29,32)/t22-/m0/s1
PDB

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n/an/a 1.90E+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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196445
PNG
(US10202344, Compound 17 | US9212139, 17)
Show SMILES CC(C)(C)OC(=O)NC(Cc1c[nH]c2cc(ccc12)-c1ccc(Oc2ccccc2)cc1)C(O)=O
PDB

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n/an/a 1.93E+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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196500
PNG
(US10202344, Compound 141 | US9212139, 141)
Show SMILES OC[C@@H](O)Cc1cn(-c2ccc(Oc3ccc(c(c3)C#N)C(F)(F)F)cc2)c2cccc(C(O)CO)c12 |r|
Show InChI InChI=1S/C27H23F3N2O5/c28-27(29,30)23-9-8-21(11-16(23)12-31)37-20-6-4-18(5-7-20)32-13-17(10-19(35)14-33)26-22(25(36)15-34)2-1-3-24(26)32/h1-9,11,13,19,25,33-36H,10,14-15H2/t19-,25?/m0/s1
PDB

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n/an/a 1.97E+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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196446
PNG
(US10202344, Compound 15 | US9212139, 15)
Show SMILES NC(Cc1c[nH]c2cc(ccc12)-c1ccc(Oc2ccccc2)cc1)C(N)=O
PDB

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n/an/a 2.05E+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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196473
PNG
(US10202344, Compound 110 | US9212139, 110)
Show SMILES OC[C@@H](O)Cc1cn(-c2ccc(Oc3ccc(F)cc3)cc2)c2ccc(cc12)C#N
Show InChI InChI=1S/C24H19FN2O3/c25-18-2-6-21(7-3-18)30-22-8-4-19(5-9-22)27-14-17(12-20(29)15-28)23-11-16(13-26)1-10-24(23)27/h1-11,14,20,28-29H,12,15H2/t20-/m0/s1
PDB

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n/an/a 2.45E+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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196447
PNG
(US10202344, Compound 16 | US9212139, 16)
Show SMILES CCOC(=O)C(Cc1c[nH]c2cc(ccc12)-c1ccc(Oc2ccccc2)cc1)NC(=O)OC(C)(C)C
PDB

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n/an/a 2.52E+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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196478
PNG
(US10202344, Compound 129 | US9212139, 129)
Show SMILES OC[C@@H](O)Cc1cn(-c2ccc(Oc3ccc(F)cc3)cc2)c2cccc(C(O)=O)c12
Show InChI InChI=1S/C24H20FNO5/c25-16-4-8-19(9-5-16)31-20-10-6-17(7-11-20)26-13-15(12-18(28)14-27)23-21(24(29)30)2-1-3-22(23)26/h1-11,13,18,27-28H,12,14H2,(H,29,30)/t18-/m0/s1
PDB

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n/an/a 3.34E+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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196459
PNG
(US10202344, Compound 59 | US9212139, 59)
Show SMILES NC(=O)C(=O)c1cn(-c2ccc(Oc3ccc(c(c3)C#N)C(F)(F)F)cc2)c2ccccc12
Show InChI InChI=1S/C24H14F3N3O3/c25-24(26,27)20-10-9-17(11-14(20)12-28)33-16-7-5-15(6-8-16)30-13-19(22(31)23(29)32)18-3-1-2-4-21(18)30/h1-11,13H,(H2,29,32)
PDB

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n/an/a 3.54E+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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196454
PNG
(US10202344, Compound 48 | US9212139, 48)
Show SMILES CN(C)CCc1cn(-c2ccc(Oc3ccccc3)cc2)c2ccc(C[C@H](N)CO)cc12
Show InChI InChI=1S/C27H31N3O2/c1-29(2)15-14-21-18-30(27-13-8-20(17-26(21)27)16-22(28)19-31)23-9-11-25(12-10-23)32-24-6-4-3-5-7-24/h3-13,17-18,22,31H,14-16,19,28H2,1-2H3/t22-/m0/s1
PDB

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n/an/a 3.82E+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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196477
PNG
(US10202344, Compound 123 | US9212139, 123)
Show SMILES NC(=O)c1ccc2c(C[C@H](O)CO)cn(-c3ccc(Oc4ccc(F)cc4)cc3)c2c1
Show InChI InChI=1S/C24H21FN2O4/c25-17-2-6-20(7-3-17)31-21-8-4-18(5-9-21)27-13-16(11-19(29)14-28)22-10-1-15(24(26)30)12-23(22)27/h1-10,12-13,19,28-29H,11,14H2,(H2,26,30)/t19-/m0/s1
PDB

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n/an/a 4.92E+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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196448
PNG
(US10202344, Compound 6 | US9212139, 6)
Show SMILES CCOC(=O)C(Cc1c[nH]c2ccc(cc12)-c1ccc(Oc2ccccc2)cc1)[N+]([O-])=O
PDB

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UniProtKB/SwissProt

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US Patent
n/an/a 5.14E+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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196482
PNG
(US10202344, Compound 150 | US9212139, 150)
Show SMILES NC(=O)c1nn(-c2ccc(Oc3ccc(cc3)C(F)(F)F)cc2)c2ccc(F)cc12
Show InChI InChI=1S/C21H13F4N3O2/c22-13-3-10-18-17(11-13)19(20(26)29)27-28(18)14-4-8-16(9-5-14)30-15-6-1-12(2-7-15)21(23,24)25/h1-11H,(H2,26,29)
PDB

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UniProtKB/SwissProt

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n/an/a 6.97E+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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196481
PNG
(US10202344, Compound 146 | US9212139, 146)
Show SMILES ONC(=O)c1nn(-c2ccc(Oc3ccccc3)cc2)c2ccccc12
Show InChI InChI=1S/C20H15N3O3/c24-20(22-25)19-17-8-4-5-9-18(17)23(21-19)14-10-12-16(13-11-14)26-15-6-2-1-3-7-15/h1-13,25H,(H,22,24)
PDB

KEGG

UniProtKB/SwissProt

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n/an/a 8.07E+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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196449
PNG
(US10202344, Compound 9 | US9212139, 9)
Show SMILES NC(Cc1c[nH]c2ccc(cc12)-c1ccc(Oc2ccccc2)cc1)C(O)=O
PDB

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UniProtKB/SwissProt

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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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196499
PNG
(US10202344, Compound 139 | US9212139, 139)
Show SMILES OC[C@H](O)Cc1cn(-c2ccc(Oc3ccc(c(c3)C#N)C(F)(F)F)cc2)c2cccc(C(O)CO)c12 |r|
Show InChI InChI=1S/C27H23F3N2O5/c28-27(29,30)23-9-8-21(11-16(23)12-31)37-20-6-4-18(5-7-20)32-13-17(10-19(35)14-33)26-22(25(36)15-34)2-1-3-24(26)32/h1-9,11,13,19,25,33-36H,10,14-15H2/t19-,25?/m1/s1
PDB

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UniProtKB/SwissProt

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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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM196471
PNG
(US10202344, Compound 98 | US9212139, 98)
Show SMILES OC[C@H](O)c1ccc2n(cc(C(=O)C(O)=O)c2c1)-c1ccc(Oc2ccc(c(c2)C#N)C(F)(F)F)cc1
Show InChI InChI=1S/C26H17F3N2O6/c27-26(28,29)21-7-6-18(9-15(21)11-30)37-17-4-2-16(3-5-17)31-12-20(24(34)25(35)36)19-10-14(23(33)13-32)1-8-22(19)31/h1-10,12,23,32-33H,13H2,(H,35,36)/t23-/m0/s1
PDB

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UniProtKB/SwissProt

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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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%