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Patent code US10155752

Compile Data Set for Download or QSAR
Found 16 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))
BDBM311147
PNG
((S)-2-(4-((7-chloro-1-methyl-1H- indazol-4-yl)oxy)...)
Show SMILES Cn1ncc2c(Oc3ccc(cc3)-c3nc(cc(n3)C(N)=O)[C@H](O)CO)ccc(Cl)c12
Show InChI InChI=1S/C21H18ClN5O4/c1-27-19-13(9-24-27)18(7-6-14(19)22)31-12-4-2-11(3-5-12)21-25-15(17(29)10-28)8-16(26-21)20(23)30/h2-9,17,28-29H,10H2,1H3,(H2,23,30)/t17-/m1/s1
PDB

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US Patent
120n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
The hNav1.7 expressing HEK-293 cells are plated on 35 mm culture dishes pre-coated with poly-D-lysine in standard DMEM culture media (Mediatech, Inc....


US Patent US10155752 (2018)

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


(Homo sapiens (Human))
BDBM311145
PNG
((S)-2-(4-((7-fluoro-1-methyl-1H- indazol-4-yl)oxy)...)
Show SMILES Cn1ncc2c(Oc3ccc(cc3)-c3nc(N[C@H]4CCNC4=O)cc(n3)C(N)=O)ccc(F)c12
Show InChI InChI=1S/C23H20FN7O3/c1-31-20-14(11-27-31)18(7-6-15(20)24)34-13-4-2-12(3-5-13)22-29-17(21(25)32)10-19(30-22)28-16-8-9-26-23(16)33/h2-7,10-11,16H,8-9H2,1H3,(H2,25,32)(H,26,33)(H,28,29,30)/t16-/m0/s1
PDB

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122n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
The hNav1.7 expressing HEK-293 cells are plated on 35 mm culture dishes pre-coated with poly-D-lysine in standard DMEM culture media (Mediatech, Inc....


US Patent US10155752 (2018)

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


(Homo sapiens (Human))
BDBM311149
PNG
((S)-4-(1,2-dihydroxyethyl)-6-(4- ((7-fluoro-1-meth...)
Show SMILES Cn1ncc2c(Oc3ccc(cc3)-c3cc(cc(n3)C(N)=O)[C@H](O)CO)ccc(F)c12
Show InChI InChI=1S/C22H19FN4O4/c1-27-21-15(10-25-27)20(7-6-16(21)23)31-14-4-2-12(3-5-14)17-8-13(19(29)11-28)9-18(26-17)22(24)30/h2-10,19,28-29H,11H2,1H3,(H2,24,30)/t19-/m1/s1
PDB

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470n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
The hNav1.7 expressing HEK-293 cells are plated on 35 mm culture dishes pre-coated with poly-D-lysine in standard DMEM culture media (Mediatech, Inc....


US Patent US10155752 (2018)

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


(Homo sapiens (Human))
BDBM311152
PNG
(4-((7-chloro-1-methyl-1H- indazol-4-yl)oxy)-N-(1,3...)
Show SMILES Cn1ncc2c(Oc3ccc(cc3)S(=O)(=O)Nc3nncs3)ccc(Cl)c12
Show InChI InChI=1S/C16H12ClN5O3S2/c1-22-15-12(8-19-22)14(7-6-13(15)17)25-10-2-4-11(5-3-10)27(23,24)21-16-20-18-9-26-16/h2-9H,1H3,(H,20,21)
PDB

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9.01E+3n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
The hNav1.7 expressing HEK-293 cells are plated on 35 mm culture dishes pre-coated with poly-D-lysine in standard DMEM culture media (Mediatech, Inc....


US Patent US10155752 (2018)

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


(Homo sapiens (Human))
BDBM311147
PNG
((S)-2-(4-((7-chloro-1-methyl-1H- indazol-4-yl)oxy)...)
Show SMILES Cn1ncc2c(Oc3ccc(cc3)-c3nc(cc(n3)C(N)=O)[C@H](O)CO)ccc(Cl)c12
Show InChI InChI=1S/C21H18ClN5O4/c1-27-19-13(9-24-27)18(7-6-14(19)22)31-12-4-2-11(3-5-12)21-25-15(17(29)10-28)8-16(26-21)20(23)30/h2-9,17,28-29H,10H2,1H3,(H2,23,30)/t17-/m1/s1
PDB

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n/an/a 157n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
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 of 10×HBSS th...


US Patent US10155752 (2018)

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


(Homo sapiens (Human))
BDBM311145
PNG
((S)-2-(4-((7-fluoro-1-methyl-1H- indazol-4-yl)oxy)...)
Show SMILES Cn1ncc2c(Oc3ccc(cc3)-c3nc(N[C@H]4CCNC4=O)cc(n3)C(N)=O)ccc(F)c12
Show InChI InChI=1S/C23H20FN7O3/c1-31-20-14(11-27-31)18(7-6-15(20)24)34-13-4-2-12(3-5-13)22-29-17(21(25)32)10-19(30-22)28-16-8-9-26-23(16)33/h2-7,10-11,16H,8-9H2,1H3,(H2,25,32)(H,26,33)(H,28,29,30)/t16-/m0/s1
PDB

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n/an/a 393n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
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 of 10×HBSS th...


US Patent US10155752 (2018)

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


(Homo sapiens (Human))
BDBM311141
PNG
((S)-2-(4-((7-chloro-1-methyl-1H- indazol-4-yl)oxy)...)
Show SMILES Cn1ncc2c(Oc3ccc(cc3)-c3nc(N[C@H]4CCNC4=O)cc(n3)C(N)=O)ccc(Cl)c12
Show InChI InChI=1S/C23H20ClN7O3/c1-31-20-14(11-27-31)18(7-6-15(20)24)34-13-4-2-12(3-5-13)22-29-17(21(25)32)10-19(30-22)28-16-8-9-26-23(16)33/h2-7,10-11,16H,8-9H2,1H3,(H2,25,32)(H,26,33)(H,28,29,30)/t16-/m0/s1
PDB

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n/an/a 405n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
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 of 10×HBSS th...


US Patent US10155752 (2018)

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


(Homo sapiens (Human))
BDBM311148
PNG
((S)-6-(4-((7-chloro-1-methyl-1H- indazol-4-yl)oxy)...)
Show SMILES Cn1ncc2c(Oc3ccc(cc3)-c3cc(cc(n3)C(N)=O)[C@H](O)CO)ccc(Cl)c12
Show InChI InChI=1S/C22H19ClN4O4/c1-27-21-15(10-25-27)20(7-6-16(21)23)31-14-4-2-12(3-5-14)17-8-13(19(29)11-28)9-18(26-17)22(24)30/h2-10,19,28-29H,11H2,1H3,(H2,24,30)/t19-/m1/s1
PDB

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n/an/a 450n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
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 of 10×HBSS th...


US Patent US10155752 (2018)

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


(Homo sapiens (Human))
BDBM311143
PNG
(6-(4-((7-chloro-1-methyl-1H- indazol-4-yl)oxy)phen...)
Show SMILES Cn1ncc2c(Oc3ccc(cc3)-c3cccc(n3)C(N)=O)ccc(Cl)c12
Show InChI InChI=1S/C20H15ClN4O2/c1-25-19-14(11-23-25)18(10-9-15(19)21)27-13-7-5-12(6-8-13)16-3-2-4-17(24-16)20(22)26/h2-11H,1H3,(H2,22,26)
PDB

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n/an/a 530n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
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 of 10×HBSS th...


US Patent US10155752 (2018)

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


(Homo sapiens (Human))
BDBM311150
PNG
((R)-4-(1,2-dihydroxyethyl)-6-(4- ((7-fluoro-1-meth...)
Show SMILES Cn1ncc2c(Oc3ccc(cc3)-c3cc(cc(n3)C(N)=O)[C@@H](O)CO)ccc(F)c12
Show InChI InChI=1S/C22H19FN4O4/c1-27-21-15(10-25-27)20(7-6-16(21)23)31-14-4-2-12(3-5-14)17-8-13(19(29)11-28)9-18(26-17)22(24)30/h2-10,19,28-29H,11H2,1H3,(H2,24,30)/t19-/m0/s1
PDB

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n/an/a 596n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
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 of 10×HBSS th...


US Patent US10155752 (2018)

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


(Homo sapiens (Human))
BDBM311144
PNG
((S)-6-((1-amino-1-oxopropan-2- yl)amino)-2-(4-((7-...)
Show SMILES C[C@H](Nc1cc(nc(n1)-c1ccc(Oc2ccc(F)c3n(C)ncc23)cc1)C(N)=O)C(N)=O
Show InChI InChI=1S/C22H20FN7O3/c1-11(20(24)31)27-18-9-16(21(25)32)28-22(29-18)12-3-5-13(6-4-12)33-17-8-7-15(23)19-14(17)10-26-30(19)2/h3-11H,1-2H3,(H2,24,31)(H2,25,32)(H,27,28,29)/t11-/m0/s1
PDB

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n/an/a 601n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
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 of 10×HBSS th...


US Patent US10155752 (2018)

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


(Homo sapiens (Human))
BDBM311142
PNG
(2-(4-((7-chloro-1-methyl-1H- indazol-4-yl)oxy)phen...)
Show SMILES Cn1ncc2c(Oc3ccc(cc3)-c3nccc(n3)C(N)=O)ccc(Cl)c12
Show InChI InChI=1S/C19H14ClN5O2/c1-25-17-13(10-23-25)16(7-6-14(17)20)27-12-4-2-11(3-5-12)19-22-9-8-15(24-19)18(21)26/h2-10H,1H3,(H2,21,26)
PDB

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n/an/a 718n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
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 of 10×HBSS th...


US Patent US10155752 (2018)

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


(Homo sapiens (Human))
BDBM311149
PNG
((S)-4-(1,2-dihydroxyethyl)-6-(4- ((7-fluoro-1-meth...)
Show SMILES Cn1ncc2c(Oc3ccc(cc3)-c3cc(cc(n3)C(N)=O)[C@H](O)CO)ccc(F)c12
Show InChI InChI=1S/C22H19FN4O4/c1-27-21-15(10-25-27)20(7-6-16(21)23)31-14-4-2-12(3-5-14)17-8-13(19(29)11-28)9-18(26-17)22(24)30/h2-10,19,28-29H,11H2,1H3,(H2,24,30)/t19-/m1/s1
PDB

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n/an/a 797n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
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 of 10×HBSS th...


US Patent US10155752 (2018)

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


(Homo sapiens (Human))
BDBM311146
PNG
((S)-2-(4-((1-methyl-1H-indazol- 4-yl)oxy)phenyl)-6...)
Show SMILES Cn1ncc2c(Oc3ccc(cc3)-c3nc(N[C@H]4CCNC4=O)cc(n3)C(N)=O)cccc12
Show InChI InChI=1S/C23H21N7O3/c1-30-18-3-2-4-19(15(18)12-26-30)33-14-7-5-13(6-8-14)22-28-17(21(24)31)11-20(29-22)27-16-9-10-25-23(16)32/h2-8,11-12,16H,9-10H2,1H3,(H2,24,31)(H,25,32)(H,27,28,29)/t16-/m0/s1
PDB

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n/an/a 2.24E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
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 of 10×HBSS th...


US Patent US10155752 (2018)

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


(Homo sapiens (Human))
BDBM311151
PNG
(5-chloro-4-((7-chloro-1-methyl- 1H-indazol-4-yl)ox...)
Show SMILES Cn1ncc2c(Oc3cc(F)c(cc3Cl)S(=O)(=O)Nc3nncs3)ccc(Cl)c12
Show InChI InChI=1S/C16H10Cl2FN5O3S2/c1-24-15-8(6-21-24)12(3-2-9(15)17)27-13-5-11(19)14(4-10(13)18)29(25,26)23-16-22-20-7-28-16/h2-7H,1H3,(H,22,23)
PDB

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n/an/a>2.00E+4n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
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 of 10×HBSS th...


US Patent US10155752 (2018)

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


(Homo sapiens (Human))
BDBM311152
PNG
(4-((7-chloro-1-methyl-1H- indazol-4-yl)oxy)-N-(1,3...)
Show SMILES Cn1ncc2c(Oc3ccc(cc3)S(=O)(=O)Nc3nncs3)ccc(Cl)c12
Show InChI InChI=1S/C16H12ClN5O3S2/c1-22-15-12(8-19-22)14(7-6-13(15)17)25-10-2-4-11(5-3-10)27(23,24)21-16-20-18-9-26-16/h2-9H,1H3,(H,20,21)
PDB

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n/an/a>2.00E+4n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
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 of 10×HBSS th...


US Patent US10155752 (2018)

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