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Compile Data Set for Download or QSAR

Found 56 hits Enz. Inhib. hit(s) with all data for entry = 1824   
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))
BDBM145281
PNG
(US8952169, 60 | US9771376, Example 60)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F |TLB:25:16:23:19.20.21,THB:15:16:23:19.20.21,25:20:23:16.24.17,24:16:19:23.22.21,24:22:19:16.25.17|
Show InChI InChI=1S/C22H28FNO4S/c1-29(26,27)24-21(25)18-7-17(16-2-3-16)20(8-19(18)23)28-12-22-9-13-4-14(10-22)6-15(5-13)11-22/h7-8,13-16H,2-6,9-12H2,1H3,(H,24,25)
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n/an/a 0.300n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9771376 (2017)


BindingDB Entry DOI: 10.7270/Q2W0983R
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


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



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9771376 (2017)


BindingDB Entry DOI: 10.7270/Q2W0983R
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145307
PNG
(US8952169, 86 | US9771376, Example 86)
Show SMILES CS(=O)(=O)NC(=O)c1ccc(OCC23CC4CC(CC(C4)C2)C3)c(c1)C1CC1 |TLB:12:13:16:20.19.18,22:13:20:16.17.18,THB:21:13:16:20.19.18,21:19:16:13.22.14,22:17:20:13.21.14|
Show InChI InChI=1S/C22H29NO4S/c1-28(25,26)23-21(24)18-4-5-20(19(9-18)17-2-3-17)27-13-22-10-14-6-15(11-22)8-16(7-14)12-22/h4-5,9,14-17H,2-3,6-8,10-13H2,1H3,(H,23,24)
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n/an/a 1.31n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9771376 (2017)


BindingDB Entry DOI: 10.7270/Q2W0983R
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145369
PNG
(US8952169, 148 | US9771376, Example 148)
Show SMILES Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1 |TLB:15:6:13:9.10.11,THB:5:6:13:9.10.11,15:10:13:6.14.7,14:6:9:13.12.11,14:12:9:6.15.7|
Show InChI InChI=1S/C24H30FNO4S/c25-21-9-22(30-13-24-10-14-5-15(11-24)7-16(6-14)12-24)19(17-1-2-17)8-20(21)23(27)26-31(28,29)18-3-4-18/h8-9,14-18H,1-7,10-13H2,(H,26,27)
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n/an/a 1.40n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9771376 (2017)


BindingDB Entry DOI: 10.7270/Q2W0983R
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM342473
PNG
(Cyclopropanesulfonic acid 4-(bicyclo[4.1.0]hept-1-...)
Show SMILES Fc1cc(OCC23CC2CCCC3)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
PDB

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n/an/a 2n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9771376 (2017)


BindingDB Entry DOI: 10.7270/Q2W0983R
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145284
PNG
(US8952169, 63 | US9771376, Example 63)
Show SMILES CNS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F |TLB:26:17:24:20.21.22,THB:16:17:24:20.21.22,26:21:24:17.25.18,25:17:20:24.23.22,25:23:20:17.26.18|
Show InChI InChI=1S/C22H29FN2O4S/c1-24-30(27,28)25-21(26)18-7-17(16-2-3-16)20(8-19(18)23)29-12-22-9-13-4-14(10-22)6-15(5-13)11-22/h7-8,13-16,24H,2-6,9-12H2,1H3,(H,25,26)
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n/an/a 3n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9771376 (2017)


BindingDB Entry DOI: 10.7270/Q2W0983R
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145366
PNG
(US8952169, 145 | US8952169, 445 | US9771376, Examp...)
Show SMILES CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC2CC3C4CCC(C4)C3C2)cc1F |TLB:15:16:21:18.19,THB:23:22:21:18.19|
Show InChI InChI=1/C19H23ClFNO4S/c1-27(24,25)22-19(23)15-7-16(20)18(8-17(15)21)26-9-10-4-13-11-2-3-12(6-11)14(13)5-10/h7-8,10-14H,2-6,9H2,1H3,(H,22,23)
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n/an/a 3.60n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9771376 (2017)


BindingDB Entry DOI: 10.7270/Q2W0983R
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145229
PNG
(US8952169, 8 | US9771376, Example 8)
Show SMILES CC1(C)[C@@H]2C[C@H]1[C@@H](COc1cc(F)c(cc1Cl)C(=O)NS(C)(=O)=O)CC2 |r|
Show InChI InChI=1/C18H23ClFNO4S/c1-18(2)11-5-4-10(13(18)6-11)9-25-16-8-15(20)12(7-14(16)19)17(22)21-26(3,23)24/h7-8,10-11,13H,4-6,9H2,1-3H3,(H,21,22)/t10-,11+,13+/s2
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n/an/a 3.80n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9771376 (2017)


BindingDB Entry DOI: 10.7270/Q2W0983R
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


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

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n/an/a 4n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9771376 (2017)


BindingDB Entry DOI: 10.7270/Q2W0983R
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145371
PNG
(US8952169, 150 | US9771376, Example 150)
Show SMILES FC1CN(C1)S(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F |TLB:29:20:27:23.24.25,THB:19:20:27:23.24.25,29:24:27:20.28.21,28:20:23:27.26.25,28:26:23:20.29.21|
Show InChI InChI=1S/C24H30F2N2O4S/c25-18-11-28(12-18)33(30,31)27-23(29)20-6-19(17-1-2-17)22(7-21(20)26)32-13-24-8-14-3-15(9-24)5-16(4-14)10-24/h6-7,14-18H,1-5,8-13H2,(H,27,29)
PDB

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n/an/a 4.30n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9771376 (2017)


BindingDB Entry DOI: 10.7270/Q2W0983R
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145230
PNG
(US8952169, 9 | US9771376, Example 9)
Show SMILES CS(=O)(=O)NC(=O)c1cc(Cl)c(OC2C3CC4CC(C3)CC2C4)cc1F |TLB:12:13:20:17.16.22,15:16:20:14.13.19,THB:15:14:20:17.16.22,13:14:17:20.21.22,13:21:17:14.15.19,(6.07,.01,;5.3,1.35,;4.53,2.68,;6.63,2.12,;3.97,.58,;2.63,1.35,;2.63,2.89,;1.3,.58,;1.3,-.96,;-.03,-1.73,;-.03,-3.27,;-1.37,-.96,;-2.7,-1.73,;-4.04,-.96,;-3.14,.96,;-3.14,2.5,;-4.47,3.27,;-5.8,2.5,;-5.8,.96,;-4.47,.19,;-6.63,-.94,;-5.24,-.29,;-5.22,2.11,;-1.37,.58,;-.03,1.35,;-.03,2.89,)|
Show InChI InChI=1S/C18H21ClFNO4S/c1-26(23,24)21-18(22)13-7-14(19)16(8-15(13)20)25-17-11-3-9-2-10(5-11)6-12(17)4-9/h7-12,17H,2-6H2,1H3,(H,21,22)
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n/an/a 5.20n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9771376 (2017)


BindingDB Entry DOI: 10.7270/Q2W0983R
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


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

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n/an/a 5.5n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9771376 (2017)


BindingDB Entry DOI: 10.7270/Q2W0983R
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145391
PNG
(US8952169, 170 | US8952169, 251 | US9771376, Examp...)
Show SMILES Fc1cc(OCC23CC4CC(C2)C(F)(F)C(C4)C3)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1 |TLB:5:6:9:12.15.16,THB:17:6:9:12.15.16,17:15:9:6.7.11,7:6:12:9.8.16,7:8:12:6.17.11|
Show InChI InChI=1/C24H29F3N2O4S/c25-20-9-21(33-13-23-10-14-6-16(11-23)24(26,27)17(7-14)12-23)18(15-2-3-15)8-19(20)22(30)28-34(31,32)29-4-1-5-29/h8-9,14-17H,1-7,10-13H2,(H,28,30)
PDB

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n/an/a 6n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9771376 (2017)


BindingDB Entry DOI: 10.7270/Q2W0983R
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145368
PNG
(US8952169, 147 | US9771376, Example 147)
Show SMILES O[C@H]1CCN(C1)S(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F |r,TLB:30:21:28:24.25.26,THB:20:21:28:24.25.26,30:25:28:21.29.22,29:21:24:28.27.26,29:27:24:21.30.22|
Show InChI InChI=1/C25H33FN2O5S/c26-22-9-23(33-14-25-10-15-5-16(11-25)7-17(6-15)12-25)20(18-1-2-18)8-21(22)24(30)27-34(31,32)28-4-3-19(29)13-28/h8-9,15-19,29H,1-7,10-14H2,(H,27,30)/t15?,16?,17?,19-,25?/s2
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n/an/a 6.70n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9771376 (2017)


BindingDB Entry DOI: 10.7270/Q2W0983R
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145233
PNG
(US8952169, 12 | US9771376, Example 13)
Show SMILES CC1(C)C2CCC1(C)C(C2)Oc1cc(F)c(cc1Cl)C(=O)NS(C)(=O)=O |THB:10:8:1:5.4|
Show InChI InChI=1/C18H23ClFNO4S/c1-17(2)10-5-6-18(17,3)15(7-10)25-14-9-13(20)11(8-12(14)19)16(22)21-26(4,23)24/h8-10,15H,5-7H2,1-4H3,(H,21,22)
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n/an/a 6.90n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9771376 (2017)


BindingDB Entry DOI: 10.7270/Q2W0983R
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145318
PNG
(US8952169, 97 | US9771376, Example 97)
Show SMILES CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(OCC2C3CC4CC(C3)CC2C4)cc1F |TLB:15:16:18:20.21.22,THB:16:24:20:18.17.22,16:17:20:24.23.25,23:24:18:20.21.22,23:21:18:24.16.25,(8.42,2.5,;7.08,1.73,;7.08,.19,;5.75,2.5,;4.98,3.84,;6.52,3.84,;4.42,1.73,;3.08,2.5,;3.08,4.04,;1.75,1.73,;1.75,.19,;.41,-.58,;.41,-2.12,;-.92,.19,;-2.25,-.58,;-3.59,.19,;-4.92,-.58,;-6.25,.19,;-7.58,-.58,;-7.58,-2.12,;-8.42,-4.02,;-7.02,-3.37,;-7,-.97,;-5.82,-4.04,;-4.92,-2.12,;-6.25,-2.89,;-.92,1.73,;.41,2.5,;.41,4.04,)|
Show InChI InChI=1S/C20H26ClFN2O4S/c1-24(2)29(26,27)23-20(25)15-8-17(21)19(9-18(15)22)28-10-16-13-4-11-3-12(6-13)7-14(16)5-11/h8-9,11-14,16H,3-7,10H2,1-2H3,(H,23,25)
PDB

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n/an/a 7.30n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9771376 (2017)


BindingDB Entry DOI: 10.7270/Q2W0983R
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145257
PNG
(US8952169, 36 | US9771376, Example 36)
Show SMILES CS(=O)(=O)NC(=O)c1cc(Cl)c(OCCC2CCCCC2)cc1F
Show InChI InChI=1S/C16H21ClFNO4S/c1-24(21,22)19-16(20)12-9-13(17)15(10-14(12)18)23-8-7-11-5-3-2-4-6-11/h9-11H,2-8H2,1H3,(H,19,20)
PDB

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n/an/a 7.70n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9771376 (2017)


BindingDB Entry DOI: 10.7270/Q2W0983R
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145231
PNG
(US8952169, 10 | US9771376, Example 10)
Show SMILES C[C@@H]1[C@H]2C[C@@H](C[C@H]1Oc1cc(F)c(cc1Cl)C(=O)NS(C)(=O)=O)C2(C)C |r|
Show InChI InChI=1/C18H23ClFNO4S/c1-9-12-5-10(18(12,2)3)6-15(9)25-16-8-14(20)11(7-13(16)19)17(22)21-26(4,23)24/h7-10,12,15H,5-6H2,1-4H3,(H,21,22)/t9-,10+,12-,15-/s2
PDB

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n/an/a 8.20n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9771376 (2017)


BindingDB Entry DOI: 10.7270/Q2W0983R
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145232
PNG
(US8952169, 11 | US9771376, Example 11)
Show SMILES CS(=O)(=O)NC(=O)c1cc(Cl)c(OCCC23CC4CC(CC(C4)C2)C3)cc1F |TLB:14:15:18:22.21.20,24:15:22:18.19.20,THB:24:19:22:15.23.16,23:15:18:22.21.20,23:21:18:15.24.16|
Show InChI InChI=1S/C20H25ClFNO4S/c1-28(25,26)23-19(24)15-7-16(21)18(8-17(15)22)27-3-2-20-9-12-4-13(10-20)6-14(5-12)11-20/h7-8,12-14H,2-6,9-11H2,1H3,(H,23,24)
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n/an/a 8.70n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9771376 (2017)


BindingDB Entry DOI: 10.7270/Q2W0983R
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145389
PNG
(US8952169, 168 | US9771376, Example 168)
Show SMILES OCCCNS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F |TLB:29:20:27:23.24.25,THB:19:20:27:23.24.25,29:24:27:20.28.21,28:20:23:27.26.25,28:26:23:20.29.21|
Show InChI InChI=1S/C24H33FN2O5S/c25-21-10-22(32-14-24-11-15-6-16(12-24)8-17(7-15)13-24)19(18-2-3-18)9-20(21)23(29)27-33(30,31)26-4-1-5-28/h9-10,15-18,26,28H,1-8,11-14H2,(H,27,29)
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n/an/a 9.20n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9771376 (2017)


BindingDB Entry DOI: 10.7270/Q2W0983R
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM47138
PNG
(US8952169, 268 | US8952169, 30 | US9771376, Exampl...)
Show SMILES CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC2CCCCC2)cc1F
Show InChI InChI=1S/C15H19ClFNO4S/c1-23(20,21)18-15(19)11-7-12(16)14(8-13(11)17)22-9-10-5-3-2-4-6-10/h7-8,10H,2-6,9H2,1H3,(H,18,19)
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n/an/a 9.90n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9771376 (2017)


BindingDB Entry DOI: 10.7270/Q2W0983R
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145373
PNG
(US8952169, 152 | US9771376, Example 152)
Show SMILES CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC23CC4CC(C2)C(F)(F)C(C4)C3)cc1F |TLB:13:14:20:17.16.24,THB:15:14:20:17.16.24,15:16:20:14.25.19,25:14:17:20.23.24,25:23:17:14.15.19|
Show InChI InChI=1/C19H21ClF3NO4S/c1-29(26,27)24-17(25)13-4-14(20)16(5-15(13)21)28-9-18-6-10-2-11(7-18)19(22,23)12(3-10)8-18/h4-5,10-12H,2-3,6-9H2,1H3,(H,24,25)
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n/an/a 10.6n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9771376 (2017)


BindingDB Entry DOI: 10.7270/Q2W0983R
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145261
PNG
(US8952169, 40 | US9771376, Example 41)
Show InChI InChI=1/C18H20Cl2FNO4S/c1-27(24,25)22-17(23)12-4-13(19)15(5-14(12)21)26-16-10-2-9-3-11(16)8-18(20,6-9)7-10/h4-5,9-11,16H,2-3,6-8H2,1H3,(H,22,23)/t9?,10?,11?,16-,18?
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n/an/a 13n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9771376 (2017)


BindingDB Entry DOI: 10.7270/Q2W0983R
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145261
PNG
(US8952169, 40 | US9771376, Example 41)
Show InChI InChI=1/C18H20Cl2FNO4S/c1-27(24,25)22-17(23)12-4-13(19)15(5-14(12)21)26-16-10-2-9-3-11(16)8-18(20,6-9)7-10/h4-5,9-11,16H,2-3,6-8H2,1H3,(H,22,23)/t9?,10?,11?,16-,18?
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n/an/a 13n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9771376 (2017)


BindingDB Entry DOI: 10.7270/Q2W0983R
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145243
PNG
(US8952169, 22 | US9771376, Example 22)
Show SMILES CS(=O)(=O)NC(=O)c1cc(Cl)c(Oc2ccc3CCCCc3c2)cc1F
Show InChI InChI=1S/C18H17ClFNO4S/c1-26(23,24)21-18(22)14-9-15(19)17(10-16(14)20)25-13-7-6-11-4-2-3-5-12(11)8-13/h6-10H,2-5H2,1H3,(H,21,22)
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n/an/a 13.4n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9771376 (2017)


BindingDB Entry DOI: 10.7270/Q2W0983R
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145367
PNG
(US8952169, 146 | US9771376, Example 146)
Show SMILES Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(Cl)cc1C(=O)NS(=O)(=O)C1CC1 |TLB:15:6:13:9.10.11,THB:5:6:13:9.10.11,15:10:13:6.14.7,14:6:9:13.12.11,14:12:9:6.15.7|
Show InChI InChI=1S/C21H25ClFNO4S/c22-17-6-16(20(25)24-29(26,27)15-1-2-15)18(23)7-19(17)28-11-21-8-12-3-13(9-21)5-14(4-12)10-21/h6-7,12-15H,1-5,8-11H2,(H,24,25)
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n/an/a 15.3n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9771376 (2017)


BindingDB Entry DOI: 10.7270/Q2W0983R
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145293
PNG
(US8952169, 72 | US9771376, Example 72)
Show SMILES COCCS(=O)(=O)NC(=O)c1cc(Cl)c(OCC23CC4CC(CC(C4)C2)C3)cc1F |TLB:26:17:24:20.21.22,THB:26:21:24:17.25.18,16:17:24:20.21.22,25:17:20:24.23.22,25:23:20:17.26.18|
Show InChI InChI=1S/C21H27ClFNO5S/c1-28-2-3-30(26,27)24-20(25)16-7-17(22)19(8-18(16)23)29-12-21-9-13-4-14(10-21)6-15(5-13)11-21/h7-8,13-15H,2-6,9-12H2,1H3,(H,24,25)
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n/an/a 15.4n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9771376 (2017)


BindingDB Entry DOI: 10.7270/Q2W0983R
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145278
PNG
(US8952169, 57 | US9771376, Example 57)
Show SMILES CC1(C)CCc2cc(OCc3cc(F)c(cc3Cl)C(=O)NS(=O)(=O)N3CCC3)ccc2O1
Show InChI InChI=1S/C22H24ClFN2O5S/c1-22(2)7-6-14-10-16(4-5-20(14)31-22)30-13-15-11-19(24)17(12-18(15)23)21(27)25-32(28,29)26-8-3-9-26/h4-5,10-12H,3,6-9,13H2,1-2H3,(H,25,27)
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n/an/a 15.4n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9771376 (2017)


BindingDB Entry DOI: 10.7270/Q2W0983R
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145226
PNG
(US8952169, 5 | US9771376, Example 5)
Show SMILES CS(=O)(=O)NC(=O)c1cc(F)c(OCC23CC4CC(CC(C4)C2)C3)cc1F |TLB:21:16:23:19.20.22,21:20:15.16.17:23,THB:19:18:15:21.20.22,19:20:15:17.18.23|
Show InChI InChI=1S/C19H23F2NO4S/c1-27(24,25)22-18(23)14-5-16(21)17(6-15(14)20)26-10-19-7-11-2-12(8-19)4-13(3-11)9-19/h5-6,11-13H,2-4,7-10H2,1H3,(H,22,23)
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n/an/a 20.1n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9771376 (2017)


BindingDB Entry DOI: 10.7270/Q2W0983R
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145244
PNG
(US8952169, 23 | US9771376, Example 23)
Show SMILES CC12CC3CC(C)(C1)CC(COc1cc(F)c(cc1Cl)C(=O)NS(C)(=O)=O)(C3)C2 |TLB:27:9:7:4.3.2,10:9:4:7.1.2,THB:27:3:7:9.28.8,28:9:4:7.1.2,28:1:4:9.27.8|
Show InChI InChI=1/C21H27ClFNO4S/c1-19-6-13-7-20(2,9-19)11-21(8-13,10-19)12-28-17-5-16(23)14(4-15(17)22)18(25)24-29(3,26)27/h4-5,13H,6-12H2,1-3H3,(H,24,25)
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n/an/a 22.9n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9771376 (2017)


BindingDB Entry DOI: 10.7270/Q2W0983R
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145390
PNG
(US8952169, 169 | US9771376, Example 169)
Show SMILES COC1CN(C1)S(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F |TLB:30:21:28:24.25.26,THB:20:21:28:24.25.26,30:25:28:21.29.22,29:21:24:28.27.26,29:27:24:21.30.22|
Show InChI InChI=1S/C25H33FN2O5S/c1-32-19-12-28(13-19)34(30,31)27-24(29)21-7-20(18-2-3-18)23(8-22(21)26)33-14-25-9-15-4-16(10-25)6-17(5-15)11-25/h7-8,15-19H,2-6,9-14H2,1H3,(H,27,29)
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n/an/a 25n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9771376 (2017)


BindingDB Entry DOI: 10.7270/Q2W0983R
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145246
PNG
(BDBM342437 | US8952169, 25)
Show SMILES CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)Oc1cc(F)c(cc1Cl)C(=O)NS(C)(=O)=O |r|
Show InChI InChI=1/C18H23ClFNO4S/c1-17(2)10-5-6-18(17,3)15(7-10)25-14-9-13(20)11(8-12(14)19)16(22)21-26(4,23)24/h8-10,15H,5-7H2,1-4H3,(H,21,22)/t10-,15+,18+/s2
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n/an/a 27n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9771376 (2017)


BindingDB Entry DOI: 10.7270/Q2W0983R
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145247
PNG
(US8952169, 26 | US9771376, Example 26)
Show SMILES CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(OCC23CC4CC(CC(C4)C2)C3)cc1F |TLB:25:16:23:19.20.21,THB:15:16:23:19.20.21,25:20:23:16.24.17,24:16:19:23.22.21,24:22:19:16.25.17|
Show InChI InChI=1S/C20H26ClFN2O4S/c1-24(2)29(26,27)23-19(25)15-6-16(21)18(7-17(15)22)28-11-20-8-12-3-13(9-20)5-14(4-12)10-20/h6-7,12-14H,3-5,8-11H2,1-2H3,(H,23,25)
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n/an/a 28.1n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9771376 (2017)


BindingDB Entry DOI: 10.7270/Q2W0983R
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145347
PNG
(US8952169, 126 | US8952169, 128 | US9771376, Examp...)
Show SMILES CS(=O)(=O)NC(=O)c1cc(Cl)c(OC2CCC(CC2)C(F)(F)F)cc1F |(8,1.54,;6.67,.77,;5.9,2.1,;7.44,-.56,;5.33,,;4,.77,;4,2.31,;2.67,,;1.33,.77,;;-1.33,.77,;,-1.54,;-1.33,-2.31,;-2.67,-1.54,;-2.67,,;-4,.77,;-5.33,,;-5.33,-1.54,;-4,-2.31,;-6.67,.77,;-8,1.54,;-5.9,2.1,;-7.44,-.56,;1.33,-2.31,;2.67,-1.54,;4,-2.31,)|
Show InChI InChI=1S/C15H16ClF4NO4S/c1-26(23,24)21-14(22)10-6-11(16)13(7-12(10)17)25-9-4-2-8(3-5-9)15(18,19)20/h6-9H,2-5H2,1H3,(H,21,22)
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n/an/a 30.3n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9771376 (2017)


BindingDB Entry DOI: 10.7270/Q2W0983R
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145356
PNG
(US8952169, 135 | US9771376, Example 135)
Show SMILES CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(OC2CC3CC2C2CCCC32)cc1F |THB:14:15:18:24.20,23:24:15.16:18,21:20:15.16:18|
Show InChI InChI=1/C19H24ClFN2O4S/c1-23(2)28(25,26)22-19(24)14-8-15(20)18(9-16(14)21)27-17-7-10-6-13(17)12-5-3-4-11(10)12/h8-13,17H,3-7H2,1-2H3,(H,22,24)
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n/an/a 30.4n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9771376 (2017)


BindingDB Entry DOI: 10.7270/Q2W0983R
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145237
PNG
(US8952169, 16 | US9771376, Example 16)
Show SMILES CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC23CC4CC(CC(F)(C4)C2)C3)cc1F |TLB:24:14:22:17.18.19,THB:13:14:22:17.18.19,24:18:22:14.23.15,23:14:17:22.20.19,23:20:17:14.24.15,21:20:17:14.24.15|
Show InChI InChI=1/C19H22ClF2NO4S/c1-28(25,26)23-17(24)13-3-14(20)16(4-15(13)21)27-10-18-5-11-2-12(6-18)8-19(22,7-11)9-18/h3-4,11-12H,2,5-10H2,1H3,(H,23,24)
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n/an/a 31.2n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9771376 (2017)


BindingDB Entry DOI: 10.7270/Q2W0983R
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145290
PNG
(US8952169, 69 | US9771376, Example 69)
Show SMILES CNS(=O)(=O)NC(=O)c1cc(Cl)c(OCC23CC4CC(CC(C4)C2)C3)cc1F |TLB:24:15:22:18.19.20,THB:14:15:22:18.19.20,24:19:22:15.23.16,23:15:18:22.21.20,23:21:18:15.24.16|
Show InChI InChI=1S/C19H24ClFN2O4S/c1-22-28(25,26)23-18(24)14-5-15(20)17(6-16(14)21)27-10-19-7-11-2-12(8-19)4-13(3-11)9-19/h5-6,11-13,22H,2-4,7-10H2,1H3,(H,23,24)
PDB

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n/an/a 34.3n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9771376 (2017)


BindingDB Entry DOI: 10.7270/Q2W0983R
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145291
PNG
(US8952169, 70 | US9771376, Example 70)
Show SMILES Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(Cl)cc1C(=O)NS(=O)(=O)N1CCC1 |TLB:15:6:13:9.10.11,THB:5:6:13:9.10.11,15:10:13:6.14.7,14:6:9:13.12.11,14:12:9:6.15.7|
Show InChI InChI=1S/C21H26ClFN2O4S/c22-17-7-16(20(26)24-30(27,28)25-2-1-3-25)18(23)8-19(17)29-12-21-9-13-4-14(10-21)6-15(5-13)11-21/h7-8,13-15H,1-6,9-12H2,(H,24,26)
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n/an/a 36.8n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9771376 (2017)


BindingDB Entry DOI: 10.7270/Q2W0983R
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145235
PNG
(US8952169, 14 | US9771376, Example 14)
Show SMILES C[C@H]1[C@@H]2C[C@H](C[C@@H]1Oc1cc(F)c(cc1Cl)C(=O)NS(C)(=O)=O)C2(C)C |r|
Show InChI InChI=1/C18H23ClFNO4S/c1-9-12-5-10(18(12,2)3)6-15(9)25-16-8-14(20)11(7-13(16)19)17(22)21-26(4,23)24/h7-10,12,15H,5-6H2,1-4H3,(H,21,22)/t9-,10+,12-,15-/s2
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n/an/a 37.7n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9771376 (2017)


BindingDB Entry DOI: 10.7270/Q2W0983R
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145240
PNG
(US8952169, 19 | US9771376, Example 19)
Show SMILES CS(=O)(=O)NC(=O)c1ccc(OCC23CC4CC(CC(C4)C2)C3)c(Cl)c1 |TLB:20:19:22:16.15.14,20:15:22:19.21.18,THB:12:13:16:19.20.18,21:19:16:22.14.13,21:13:16:19.20.18|
Show InChI InChI=1S/C19H24ClNO4S/c1-26(23,24)21-18(22)15-2-3-17(16(20)7-15)25-11-19-8-12-4-13(9-19)6-14(5-12)10-19/h2-3,7,12-14H,4-6,8-11H2,1H3,(H,21,22)
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n/an/a 38.6n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9771376 (2017)


BindingDB Entry DOI: 10.7270/Q2W0983R
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145303
PNG
(US8952169, 82 | US9771376, Example 82)
Show SMILES CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(OCC2(CCC2)C(F)(F)F)cc1F
Show InChI InChI=1S/C15H17ClF4N2O4S/c1-22(2)27(24,25)21-13(23)9-6-10(16)12(7-11(9)17)26-8-14(4-3-5-14)15(18,19)20/h6-7H,3-5,8H2,1-2H3,(H,21,23)
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n/an/a 41.6n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9771376 (2017)


BindingDB Entry DOI: 10.7270/Q2W0983R
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145241
PNG
(US8952169, 20 | US9771376, Example 20)
Show SMILES CS(=O)(=O)NC(=O)c1ccc(OCCC23CC4CC(CC(C4)C2)C3)c(Cl)c1 |TLB:13:14:17:21.20.19,23:14:21:17.18.19,THB:23:18:21:14.22.15,22:14:17:21.20.19,22:20:17:14.23.15|
Show InChI InChI=1S/C20H26ClNO4S/c1-27(24,25)22-19(23)16-2-3-18(17(21)9-16)26-5-4-20-10-13-6-14(11-20)8-15(7-13)12-20/h2-3,9,13-15H,4-8,10-12H2,1H3,(H,22,23)
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n/an/a 56.3n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9771376 (2017)


BindingDB Entry DOI: 10.7270/Q2W0983R
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145255
PNG
(US8952169, 34 | US9771376, Example 34)
Show SMILES CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(OC[C@H]2CC[C@H]3C[C@@H]2C3(C)C)cc1F |r|
Show InChI InChI=1/C19H26ClFN2O4S/c1-19(2)12-6-5-11(14(19)7-12)10-27-17-9-16(21)13(8-15(17)20)18(24)22-28(25,26)23(3)4/h8-9,11-12,14H,5-7,10H2,1-4H3,(H,22,24)/t11-,12+,14+/s2
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n/an/a 65.8n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9771376 (2017)


BindingDB Entry DOI: 10.7270/Q2W0983R
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145327
PNG
(US8952169, 106 | US9771376, Example 106)
Show SMILES CS(=O)(=O)NC(=O)c1cc(Cl)c(OC[C@H]2CC[C@@H](CC2)C(F)(F)F)cc1F |r,wU:14.13,wD:17.20,(8.67,3.36,;7.34,2.59,;6.57,3.93,;8.11,1.26,;6,1.82,;4.67,2.59,;4.67,4.13,;3.33,1.82,;3.33,.28,;2,-.49,;2,-2.03,;.67,.28,;-.67,-.49,;-2,.28,;-3.33,-.49,;-3.33,-2.03,;-4.67,-2.8,;-6,-2.03,;-6,-.49,;-4.67,.28,;-7.34,-2.8,;-8.67,-3.57,;-8.11,-1.46,;-6.57,-4.13,;.67,1.82,;2,2.59,;2,4.13,)|
Show InChI InChI=1/C16H18ClF4NO4S/c1-27(24,25)22-15(23)11-6-12(17)14(7-13(11)18)26-8-9-2-4-10(5-3-9)16(19,20)21/h6-7,9-10H,2-5,8H2,1H3,(H,22,23)/t9-,10-
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n/an/a 84.7n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9771376 (2017)


BindingDB Entry DOI: 10.7270/Q2W0983R
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145360
PNG
(BDBM342455 | US8952169, 139)
Show SMILES CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(OC2CCC3(CCCCC3)CC2)cc1F
Show InChI InChI=1S/C20H28ClFN2O4S/c1-24(2)29(26,27)23-19(25)15-12-16(21)18(13-17(15)22)28-14-6-10-20(11-7-14)8-4-3-5-9-20/h12-14H,3-11H2,1-2H3,(H,23,25)
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n/an/a 85.4n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9771376 (2017)


BindingDB Entry DOI: 10.7270/Q2W0983R
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145254
PNG
(US8952169, 33 | US9771376, Example 33)
Show SMILES CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(OC2C3CC4CC(C3)CC2C4)cc1F |TLB:14:15:17:19.20.21,THB:15:23:19:17.16.21,15:16:19:23.22.24,22:23:17:19.20.21,22:20:17:23.15.24,(7.75,-1.15,;6.42,-1.93,;6.42,-3.47,;5.08,-1.15,;4.31,-2.49,;5.85,.18,;3.75,-.38,;2.41,-1.15,;2.41,-2.7,;1.08,-.38,;1.08,1.16,;-.25,1.93,;-.25,3.47,;-1.59,1.15,;-2.92,1.93,;-4.25,1.15,;-5.58,1.92,;-6.92,1.15,;-6.92,-.38,;-7.75,-2.29,;-6.35,-1.64,;-6.34,.76,;-5.15,-2.31,;-4.25,-.38,;-5.58,-1.16,;-1.59,-.38,;-.25,-1.15,;-.25,-2.7,)|
Show InChI InChI=1S/C19H24ClFN2O4S/c1-23(2)28(25,26)22-19(24)14-8-15(20)17(9-16(14)21)27-18-12-4-10-3-11(6-12)7-13(18)5-10/h8-13,18H,3-7H2,1-2H3,(H,22,24)
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n/an/a 93.7n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9771376 (2017)


BindingDB Entry DOI: 10.7270/Q2W0983R
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM342434
PNG
(Synthesis of 5-chloro-4-(cyclohexylmethoxy)-2-fluo...)
Show SMILES CS(=O)(=O)NC(=O)c1cnc(OCC23CC4CC5(CC(C5)(C4)C2)C3)c(Cl)c1 |TLB:16:17:22:15.21.14,14:13:18:20,THB:16:15:22:18.23.17,20:17:22:15.21.14,12:13:18:20,(6.38,2.1,;5.61,3.43,;6.95,4.2,;4.84,4.77,;4.28,2.66,;2.94,3.43,;2.94,4.97,;1.61,2.66,;.28,3.43,;-1.06,2.66,;-1.06,1.12,;-2.39,.35,;-3.93,.35,;-4.7,-.98,;-6.17,-.57,;-6.94,-1.9,;-6.95,-3.44,;-5.46,-3.86,;-4.37,-4.95,;-4.39,-3.43,;-4.4,-4.97,;-5.87,-3.02,;-3.61,-2.07,;-4.7,-2.52,;.28,.35,;.28,-1.19,;1.61,1.12,)|
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n/an/a 106n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9771376 (2017)


BindingDB Entry DOI: 10.7270/Q2W0983R
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145233
PNG
(US8952169, 12 | US9771376, Example 13)
Show SMILES CC1(C)C2CCC1(C)C(C2)Oc1cc(F)c(cc1Cl)C(=O)NS(C)(=O)=O |THB:10:8:1:5.4|
Show InChI InChI=1/C18H23ClFNO4S/c1-17(2)10-5-6-18(17,3)15(7-10)25-14-9-13(20)11(8-12(14)19)16(22)21-26(4,23)24/h8-10,15H,5-7H2,1-4H3,(H,21,22)
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n/an/a 123n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9771376 (2017)


BindingDB Entry DOI: 10.7270/Q2W0983R
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145252
PNG
(US8952169, 31 | US9771376, Example 31)
Show SMILES CC(Oc1cc(F)c(cc1Cl)C(=O)NS(C)(=O)=O)C12CC3CC(CC(C3)C1)C2 |TLB:27:18:25:21.22.23,THB:1:18:25:21.22.23,27:22:25:18.26.19,26:18:21:25.24.23,26:24:21:18.27.19|
Show InChI InChI=1/C20H25ClFNO4S/c1-11(20-8-12-3-13(9-20)5-14(4-12)10-20)27-18-7-17(22)15(6-16(18)21)19(24)23-28(2,25)26/h6-7,11-14H,3-5,8-10H2,1-2H3,(H,23,24)
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n/an/a 146n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9771376 (2017)


BindingDB Entry DOI: 10.7270/Q2W0983R
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145236
PNG
(US8952169, 15 | US9771376, Example 15)
Show SMILES CS(=O)(=O)NC(=O)c1cc(Cl)c(OCCC2CC2)cc1F
Show InChI InChI=1S/C13H15ClFNO4S/c1-21(18,19)16-13(17)9-6-10(14)12(7-11(9)15)20-5-4-8-2-3-8/h6-8H,2-5H2,1H3,(H,16,17)
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n/an/a 170n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9771376 (2017)


BindingDB Entry DOI: 10.7270/Q2W0983R
More data for this
Ligand-Target Pair
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