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Patent code US11028075

Compile Data Set for Download or QSAR
Found 182 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM501909
PNG
(US11028075, Example 42 | US11028075, Example 80)
Show SMILES CN(C1CNC1)[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H29ClF4N6O2S/c1-38(19-13-34-14-19)24-10-17(16-3-2-4-18(9-16)27(30,31)32)5-6-22(24)36-23-12-21(29)25(11-20(23)28)41(39,40)37-26-7-8-33-15-35-26/h2-4,7-9,11-12,15,17,19,22,24,34,36H,5-6,10,13-14H2,1H3,(H,33,35,37)/t17-,22-,24-/m0/s1
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n/an/a 0.141n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501936
PNG
(US11028075, Example 69)
Show SMILES CNCCN(C)[C@H]1C[C@H](CC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H30ClF4N5O3S/c1-33-10-11-37(2)22-13-18(17-4-3-5-19(12-17)27(30,31)32)6-7-23(22)40-24-15-21(29)25(14-20(24)28)41(38,39)36-26-8-9-34-16-35-26/h3-5,8-9,12,14-16,18,22-23,33H,6-7,10-11,13H2,1-2H3,(H,34,35,36)/t18-,22-,23-/m0/s1
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n/an/a 0.173n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501912
PNG
(US11028075, Example 45)
Show SMILES CN(C1CN(C)C1)[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C28H31ClF4N6O2S/c1-38-14-20(15-38)39(2)25-11-18(17-4-3-5-19(10-17)28(31,32)33)6-7-23(25)36-24-13-22(30)26(12-21(24)29)42(40,41)37-27-8-9-34-16-35-27/h3-5,8-10,12-13,16,18,20,23,25,36H,6-7,11,14-15H2,1-2H3,(H,34,35,37)/t18-,23-,25-/m0/s1
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n/an/a 0.241n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501885
PNG
(US11028075, Example 18)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C1(CC1)C(F)(F)F
Show InChI InChI=1S/C28H30ClF4N5O2S/c1-38(2)24-13-18(17-4-3-5-19(12-17)27(9-10-27)28(31,32)33)6-7-22(24)36-23-15-21(30)25(14-20(23)29)41(39,40)37-26-8-11-34-16-35-26/h3-5,8,11-12,14-16,18,22,24,36H,6-7,9-10,13H2,1-2H3,(H,34,35,37)/t18-,22-,24-/m0/s1
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n/an/a 0.263n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501871
PNG
(US11028075, Example 4)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H25Cl3FN5O2S/c1-33(2)22-10-15(14-3-5-16(25)17(26)9-14)4-6-20(22)31-21-12-19(28)23(11-18(21)27)36(34,35)32-24-7-8-29-13-30-24/h3,5,7-9,11-13,15,20,22,31H,4,6,10H2,1-2H3,(H,29,30,32)/t15-,20-,22-/m0/s1
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n/an/a 0.305n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501909
PNG
(US11028075, Example 42 | US11028075, Example 80)
Show SMILES CN(C1CNC1)[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H29ClF4N6O2S/c1-38(19-13-34-14-19)24-10-17(16-3-2-4-18(9-16)27(30,31)32)5-6-22(24)36-23-12-21(29)25(11-20(23)28)41(39,40)37-26-7-8-33-15-35-26/h2-4,7-9,11-12,15,17,19,22,24,34,36H,5-6,10,13-14H2,1H3,(H,33,35,37)/t17-,22-,24-/m0/s1
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n/an/a 0.317n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501928
PNG
(US11028075, Example 61)
Show SMILES Fc1cc(c(F)cc1N[C@H]1CC[C@@H](C[C@@H]1N1CCCC1)c1cccc(OC(F)(F)F)c1)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C27H28F5N5O3S/c28-20-15-25(41(38,39)36-26-8-9-33-16-34-26)21(29)14-23(20)35-22-7-6-18(13-24(22)37-10-1-2-11-37)17-4-3-5-19(12-17)40-27(30,31)32/h3-5,8-9,12,14-16,18,22,24,35H,1-2,6-7,10-11,13H2,(H,33,34,36)/t18-,22-,24-/m0/s1
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n/an/a 0.322n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501934
PNG
(US11028075, Example 67)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H24Cl3FN4O3S/c1-32(2)20-10-15(14-3-5-16(25)17(26)9-14)4-6-21(20)35-22-12-19(28)23(11-18(22)27)36(33,34)31-24-7-8-29-13-30-24/h3,5,7-9,11-13,15,20-21H,4,6,10H2,1-2H3,(H,29,30,31)/t15-,20-,21-/m0/s1
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n/an/a 0.325n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501874
PNG
(US11028075, Example 7)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H25Cl2F4N5O2S/c1-36(2)22-10-15(14-3-5-17(26)16(9-14)25(29,30)31)4-6-20(22)34-21-12-19(28)23(11-18(21)27)39(37,38)35-24-7-8-32-13-33-24/h3,5,7-9,11-13,15,20,22,34H,4,6,10H2,1-2H3,(H,32,33,35)/t15-,20-,22-/m0/s1
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n/an/a 0.327n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501948
PNG
(US11028075, Example 81)
Show SMILES CN(C1CN(C)C1)[C@H]1C[C@H](CC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C28H30ClF4N5O3S/c1-37-14-20(15-37)38(2)23-11-18(17-4-3-5-19(10-17)28(31,32)33)6-7-24(23)41-25-13-22(30)26(12-21(25)29)42(39,40)36-27-8-9-34-16-35-27/h3-5,8-10,12-13,16,18,20,23-24H,6-7,11,14-15H2,1-2H3,(H,34,35,36)/t18-,23-,24-/m0/s1
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n/an/a 0.334n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM417387
PNG
(US10457654, Example 239 | US11028075, Example 82)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C24H24Cl3FN4O3S/c1-32(2)20-9-14(15-7-16(25)10-17(26)8-15)3-4-21(20)35-22-12-19(28)23(11-18(22)27)36(33,34)31-24-5-6-29-13-30-24/h5-8,10-14,20-21H,3-4,9H2,1-2H3,(H,29,30,31)/t14-,20-,21-/m0/s1
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n/an/a 0.355n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501891
PNG
(US11028075, Example 24)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cc(Cl)cc(c1)C(F)(F)F
Show InChI InChI=1S/C25H25Cl2F4N5O2S/c1-36(2)22-9-14(15-7-16(25(29,30)31)10-17(26)8-15)3-4-20(22)34-21-12-19(28)23(11-18(21)27)39(37,38)35-24-5-6-32-13-33-24/h5-8,10-14,20,22,34H,3-4,9H2,1-2H3,(H,32,33,35)/t14-,20-,22-/m0/s1
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n/an/a 0.383n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501909
PNG
(US11028075, Example 42 | US11028075, Example 80)
Show SMILES CN(C1CNC1)[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H29ClF4N6O2S/c1-38(19-13-34-14-19)24-10-17(16-3-2-4-18(9-16)27(30,31)32)5-6-22(24)36-23-12-21(29)25(11-20(23)28)41(39,40)37-26-7-8-33-15-35-26/h2-4,7-9,11-12,15,17,19,22,24,34,36H,5-6,10,13-14H2,1H3,(H,33,35,37)/t17-,22-,24-/m0/s1
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n/an/a 0.390n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501912
PNG
(US11028075, Example 45)
Show SMILES CN(C1CN(C)C1)[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C28H31ClF4N6O2S/c1-38-14-20(15-38)39(2)25-11-18(17-4-3-5-19(10-17)28(31,32)33)6-7-23(25)36-24-13-22(30)26(12-21(24)29)42(40,41)37-27-8-9-34-16-35-27/h3-5,8-10,12-13,16,18,20,23,25,36H,6-7,11,14-15H2,1-2H3,(H,34,35,37)/t18-,23-,25-/m0/s1
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n/an/a 0.399n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501898
PNG
(US11028075, Example 31)
Show SMILES CC(C)[C@H](N)C(=O)N(C)[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C29H33ClF4N6O3S/c1-16(2)27(35)28(41)40(3)24-12-18(17-5-4-6-19(11-17)29(32,33)34)7-8-22(24)38-23-14-21(31)25(13-20(23)30)44(42,43)39-26-9-10-36-15-37-26/h4-6,9-11,13-16,18,22,24,27,38H,7-8,12,35H2,1-3H3,(H,36,37,39)/t18-,22-,24-,27-/m0/s1
PDB

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n/an/a 0.462n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501879
PNG
(US11028075, Example 12)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H25ClF7N5O2S/c1-39(2)22-9-14(15-7-16(25(29,30)31)10-17(8-15)26(32,33)34)3-4-20(22)37-21-12-19(28)23(11-18(21)27)42(40,41)38-24-5-6-35-13-36-24/h5-8,10-14,20,22,37H,3-4,9H2,1-2H3,(H,35,36,38)/t14-,20-,22-/m0/s1
PDB

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n/an/a 0.473n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501936
PNG
(US11028075, Example 69)
Show SMILES CNCCN(C)[C@H]1C[C@H](CC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H30ClF4N5O3S/c1-33-10-11-37(2)22-13-18(17-4-3-5-19(12-17)27(30,31)32)6-7-23(22)40-24-15-21(29)25(14-20(24)28)41(38,39)36-26-8-9-34-16-35-26/h3-5,8-9,12,14-16,18,22-23,33H,6-7,10-11,13H2,1-2H3,(H,34,35,36)/t18-,22-,23-/m0/s1
PDB

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n/an/a 0.474n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501952
PNG
(US11028075, Example 85)
Show SMILES Fc1cc(cc(c1)C(F)(F)F)[C@H]1CC[C@H](Nc2cc(F)c(cc2F)S(=O)(=O)Nc2ccncn2)[C@H](C1)N1CCCC1
Show InChI InChI=1S/C27H27F6N5O2S/c28-19-10-17(9-18(12-19)27(31,32)33)16-3-4-22(24(11-16)38-7-1-2-8-38)36-23-13-21(30)25(14-20(23)29)41(39,40)37-26-5-6-34-15-35-26/h5-6,9-10,12-16,22,24,36H,1-4,7-8,11H2,(H,34,35,37)/t16-,22-,24-/m0/s1
PDB

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n/an/a 0.494n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501872
PNG
(US11028075, Example 5)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1OC(F)F)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C26H27F6N5O3S/c1-37(2)21-11-16(15-4-3-5-17(10-15)26(30,31)32)6-7-19(21)35-20-12-18(27)23(13-22(20)40-25(28)29)41(38,39)36-24-8-9-33-14-34-24/h3-5,8-10,12-14,16,19,21,25,35H,6-7,11H2,1-2H3,(H,33,34,36)/t16-,19-,21-/m0/s1
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n/an/a 0.519n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501874
PNG
(US11028075, Example 7)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H25Cl2F4N5O2S/c1-36(2)22-10-15(14-3-5-17(26)16(9-14)25(29,30)31)4-6-20(22)34-21-12-19(28)23(11-18(21)27)39(37,38)35-24-7-8-32-13-33-24/h3,5,7-9,11-13,15,20,22,34H,4,6,10H2,1-2H3,(H,32,33,35)/t15-,20-,22-/m0/s1
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n/an/a 0.520n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501951
PNG
(US11028075, Example 84)
Show SMILES Fc1ccc(cc1C(F)(F)F)[C@H]1CC[C@H](Nc2cc(F)c(cc2F)S(=O)(=O)Nc2ccncn2)[C@H](C1)N1CCCC1
Show InChI InChI=1S/C27H27F6N5O2S/c28-19-5-3-16(11-18(19)27(31,32)33)17-4-6-22(24(12-17)38-9-1-2-10-38)36-23-13-21(30)25(14-20(23)29)41(39,40)37-26-7-8-34-15-35-26/h3,5,7-8,11,13-15,17,22,24,36H,1-2,4,6,9-10,12H2,(H,34,35,37)/t17-,22-,24-/m0/s1
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n/an/a 0.520n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501923
PNG
(US11028075, Example 56)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Oc1cc(F)c(cc1Br)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H25BrF4N4O3S/c1-34(2)20-11-16(15-4-3-5-17(10-15)25(28,29)30)6-7-21(20)37-22-13-19(27)23(12-18(22)26)38(35,36)33-24-8-9-31-14-32-24/h3-5,8-10,12-14,16,20-21H,6-7,11H2,1-2H3,(H,31,32,33)/t16-,20-,21-/m0/s1
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n/an/a 0.528n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501879
PNG
(US11028075, Example 12)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H25ClF7N5O2S/c1-39(2)22-9-14(15-7-16(25(29,30)31)10-17(8-15)26(32,33)34)3-4-20(22)37-21-12-19(28)23(11-18(21)27)42(40,41)38-24-5-6-35-13-36-24/h5-8,10-14,20,22,37H,3-4,9H2,1-2H3,(H,35,36,38)/t14-,20-,22-/m0/s1
PDB

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n/an/a 0.531n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501908
PNG
(US11028075, Example 41)
Show SMILES CN(CCO)[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C26H28ClF4N5O3S/c1-36(9-10-37)23-12-17(16-3-2-4-18(11-16)26(29,30)31)5-6-21(23)34-22-14-20(28)24(13-19(22)27)40(38,39)35-25-7-8-32-15-33-25/h2-4,7-8,11,13-15,17,21,23,34,37H,5-6,9-10,12H2,1H3,(H,32,33,35)/t17-,21-,23-/m0/s1
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n/an/a 0.534n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501931
PNG
(US11028075, Example 64)
Show SMILES Fc1cc(O[C@H]2CC[C@@H](C[C@@H]2N2CCCC2)c2cccc(OC(F)(F)F)c2)c(Cl)cc1S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C27H27ClF4N4O4S/c28-20-14-25(41(37,38)35-26-8-9-33-16-34-26)21(29)15-24(20)39-23-7-6-18(13-22(23)36-10-1-2-11-36)17-4-3-5-19(12-17)40-27(30,31)32/h3-5,8-9,12,14-16,18,22-23H,1-2,6-7,10-11,13H2,(H,33,34,35)/t18-,22-,23-/m0/s1
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n/an/a 0.554n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501957
PNG
(US11028075, Example 90)
Show SMILES OC1CCN(C1)[C@H]1C[C@H](CC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H27ClF4N4O4S/c28-20-12-25(41(38,39)35-26-6-8-33-15-34-26)21(29)13-24(20)40-23-5-4-17(11-22(23)36-9-7-19(37)14-36)16-2-1-3-18(10-16)27(30,31)32/h1-3,6,8,10,12-13,15,17,19,22-23,37H,4-5,7,9,11,14H2,(H,33,34,35)/t17-,19?,22-,23-/m0/s1
PDB

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n/an/a 0.570n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501891
PNG
(US11028075, Example 24)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cc(Cl)cc(c1)C(F)(F)F
Show InChI InChI=1S/C25H25Cl2F4N5O2S/c1-36(2)22-9-14(15-7-16(25(29,30)31)10-17(26)8-15)3-4-20(22)34-21-12-19(28)23(11-18(21)27)39(37,38)35-24-5-6-32-13-33-24/h5-8,10-14,20,22,34H,3-4,9H2,1-2H3,(H,32,33,35)/t14-,20-,22-/m0/s1
PDB

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n/an/a 0.583n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501921
PNG
(US11028075, Example 54)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1N1CCCc2cc(c(F)cc12)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C28H31F4N5O2S/c1-36(2)25-14-19(18-5-3-7-21(13-18)28(30,31)32)8-9-23(25)37-12-4-6-20-15-26(22(29)16-24(20)37)40(38,39)35-27-10-11-33-17-34-27/h3,5,7,10-11,13,15-17,19,23,25H,4,6,8-9,12,14H2,1-2H3,(H,33,34,35)/t19-,23-,25-/m0/s1
PDB

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n/an/a 0.604n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501882
PNG
(US11028075, Example 15)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cc(F)cc(c1)C(F)(F)F
Show InChI InChI=1S/C25H25ClF5N5O2S/c1-36(2)22-9-14(15-7-16(25(29,30)31)10-17(27)8-15)3-4-20(22)34-21-12-19(28)23(11-18(21)26)39(37,38)35-24-5-6-32-13-33-24/h5-8,10-14,20,22,34H,3-4,9H2,1-2H3,(H,32,33,35)/t14-,20-,22-/m0/s1
PDB

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n/an/a 0.610n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501908
PNG
(US11028075, Example 41)
Show SMILES CN(CCO)[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C26H28ClF4N5O3S/c1-36(9-10-37)23-12-17(16-3-2-4-18(11-16)26(29,30)31)5-6-21(23)34-22-14-20(28)24(13-19(22)27)40(38,39)35-25-7-8-32-15-33-25/h2-4,7-8,11,13-15,17,21,23,34,37H,5-6,9-10,12H2,1H3,(H,32,33,35)/t17-,21-,23-/m0/s1
PDB

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n/an/a 0.623n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501929
PNG
(US11028075, Example 62)
Show SMILES Fc1cc(c(F)cc1N[C@H]1CC[C@@H](C[C@@H]1N1CCCCC1)c1cccc(c1)C(F)(F)F)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C28H30F5N5O2S/c29-21-16-26(41(39,40)37-27-9-10-34-17-35-27)22(30)15-24(21)36-23-8-7-19(14-25(23)38-11-2-1-3-12-38)18-5-4-6-20(13-18)28(31,32)33/h4-6,9-10,13,15-17,19,23,25,36H,1-3,7-8,11-12,14H2,(H,34,35,37)/t19-,23-,25-/m0/s1
PDB

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n/an/a 0.628n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501900
PNG
(US11028075, Example 33)
Show SMILES CN([C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F)C(=O)[C@H]1CCN(C)C1
Show InChI InChI=1S/C30H33ClF4N6O3S/c1-40-11-9-20(16-40)29(42)41(2)26-13-19(18-4-3-5-21(12-18)30(33,34)35)6-7-24(26)38-25-15-23(32)27(14-22(25)31)45(43,44)39-28-8-10-36-17-37-28/h3-5,8,10,12,14-15,17,19-20,24,26,38H,6-7,9,11,13,16H2,1-2H3,(H,36,37,39)/t19-,20-,24-,26-/m0/s1
PDB

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n/an/a 0.629n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501880
PNG
(US11028075, Example 13)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1F)S(=O)(=O)Nc1ccncn1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H25F8N5O2S/c1-39(2)22-9-14(15-7-16(25(29,30)31)10-17(8-15)26(32,33)34)3-4-20(22)37-21-11-19(28)23(12-18(21)27)42(40,41)38-24-5-6-35-13-36-24/h5-8,10-14,20,22,37H,3-4,9H2,1-2H3,(H,35,36,38)/t14-,20-,22-/m0/s1
PDB

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n/an/a 0.652n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501909
PNG
(US11028075, Example 42 | US11028075, Example 80)
Show SMILES CN(C1CNC1)[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H29ClF4N6O2S/c1-38(19-13-34-14-19)24-10-17(16-3-2-4-18(9-16)27(30,31)32)5-6-22(24)36-23-12-21(29)25(11-20(23)28)41(39,40)37-26-7-8-33-15-35-26/h2-4,7-9,11-12,15,17,19,22,24,34,36H,5-6,10,13-14H2,1H3,(H,33,35,37)/t17-,22-,24-/m0/s1
PDB

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n/an/a 0.657n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501948
PNG
(US11028075, Example 81)
Show SMILES CN(C1CN(C)C1)[C@H]1C[C@H](CC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C28H30ClF4N5O3S/c1-37-14-20(15-37)38(2)23-11-18(17-4-3-5-19(10-17)28(31,32)33)6-7-24(23)41-25-13-22(30)26(12-21(25)29)42(39,40)36-27-8-9-34-16-35-27/h3-5,8-10,12-13,16,18,20,23-24H,6-7,11,14-15H2,1-2H3,(H,34,35,36)/t18-,23-,24-/m0/s1
PDB

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n/an/a 0.661n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501885
PNG
(US11028075, Example 18)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C1(CC1)C(F)(F)F
Show InChI InChI=1S/C28H30ClF4N5O2S/c1-38(2)24-13-18(17-4-3-5-19(12-17)27(9-10-27)28(31,32)33)6-7-22(24)36-23-15-21(30)25(14-20(23)29)41(39,40)37-26-8-11-34-16-35-26/h3-5,8,11-12,14-16,18,22,24,36H,6-7,9-10,13H2,1-2H3,(H,34,35,37)/t18-,22-,24-/m0/s1
PDB

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n/an/a 0.670n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501901
PNG
(US11028075, Example 34)
Show SMILES CN([C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F)C(=O)[C@@H]1CCN(C)C1
Show InChI InChI=1S/C30H33ClF4N6O3S/c1-40-11-9-20(16-40)29(42)41(2)26-13-19(18-4-3-5-21(12-18)30(33,34)35)6-7-24(26)38-25-15-23(32)27(14-22(25)31)45(43,44)39-28-8-10-36-17-37-28/h3-5,8,10,12,14-15,17,19-20,24,26,38H,6-7,9,11,13,16H2,1-2H3,(H,36,37,39)/t19-,20+,24-,26-/m0/s1
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n/an/a 0.672n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501886
PNG
(US11028075, Example 19)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1F)S(=O)(=O)Nc1ccncn1)c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C25H26F5N5O3S/c1-35(2)22-11-16(15-4-3-5-17(10-15)38-25(28,29)30)6-7-20(22)33-21-12-19(27)23(13-18(21)26)39(36,37)34-24-8-9-31-14-32-24/h3-5,8-10,12-14,16,20,22,33H,6-7,11H2,1-2H3,(H,31,32,34)/t16-,20-,22-/m0/s1
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n/an/a 0.673n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM417321
PNG
(US10457654, Example 181 | US11028075, Example 9)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H26ClF4N5O2S/c1-35(2)22-11-16(15-4-3-5-17(10-15)25(28,29)30)6-7-20(22)33-21-13-19(27)23(12-18(21)26)38(36,37)34-24-8-9-31-14-32-24/h3-5,8-10,12-14,16,20,22,33H,6-7,11H2,1-2H3,(H,31,32,34)/t16-,20-,22-/m0/s1
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n/an/a 0.681n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501869
PNG
(US11028075, Example 2)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1N1CCOc2cc(c(F)cc12)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H29F4N5O3S/c1-35(2)22-13-18(17-4-3-5-19(12-17)27(29,30)31)6-7-21(22)36-10-11-39-24-15-25(20(28)14-23(24)36)40(37,38)34-26-8-9-32-16-33-26/h3-5,8-9,12,14-16,18,21-22H,6-7,10-11,13H2,1-2H3,(H,32,33,34)/t18-,21-,22-/m0/s1
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n/an/a 0.686n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM417321
PNG
(US10457654, Example 181 | US11028075, Example 9)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H26ClF4N5O2S/c1-35(2)22-11-16(15-4-3-5-17(10-15)25(28,29)30)6-7-20(22)33-21-13-19(27)23(12-18(21)26)38(36,37)34-24-8-9-31-14-32-24/h3-5,8-10,12-14,16,20,22,33H,6-7,11H2,1-2H3,(H,31,32,34)/t16-,20-,22-/m0/s1
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n/an/a 0.694n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501930
PNG
(US11028075, Example 63)
Show SMILES CN[C@H]1C[C@H](CC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H23ClF4N4O3S/c1-30-19-10-15(14-3-2-4-16(9-14)24(27,28)29)5-6-20(19)36-21-12-18(26)22(11-17(21)25)37(34,35)33-23-7-8-31-13-32-23/h2-4,7-9,11-13,15,19-20,30H,5-6,10H2,1H3,(H,31,32,33)/t15-,19-,20-/m0/s1
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n/an/a 0.709n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501933
PNG
(US11028075, Example 66)
Show SMILES CN(CCO)[C@H]1C[C@H](CC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C26H27ClF4N4O4S/c1-35(9-10-36)21-12-17(16-3-2-4-18(11-16)26(29,30)31)5-6-22(21)39-23-14-20(28)24(13-19(23)27)40(37,38)34-25-7-8-32-15-33-25/h2-4,7-8,11,13-15,17,21-22,36H,5-6,9-10,12H2,1H3,(H,32,33,34)/t17-,21-,22-/m0/s1
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n/an/a 0.732n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501935
PNG
(US11028075, Example 68)
Show SMILES CCN[C@H]1C[C@H](CC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H25ClF4N4O3S/c1-2-32-20-11-16(15-4-3-5-17(10-15)25(28,29)30)6-7-21(20)37-22-13-19(27)23(12-18(22)26)38(35,36)34-24-8-9-31-14-33-24/h3-5,8-10,12-14,16,20-21,32H,2,6-7,11H2,1H3,(H,31,33,34)/t16-,20-,21-/m0/s1
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n/an/a 0.737n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501927
PNG
(US11028075, Example 60)
Show SMILES Fc1cc(O[C@H]2CC[C@@H](C[C@@H]2N2CCCC2)c2cccc(c2)C(F)(F)F)c(Cl)cc1S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C27H27ClF4N4O3S/c28-20-14-25(40(37,38)35-26-8-9-33-16-34-26)21(29)15-24(20)39-23-7-6-18(13-22(23)36-10-1-2-11-36)17-4-3-5-19(12-17)27(30,31)32/h3-5,8-9,12,14-16,18,22-23H,1-2,6-7,10-11,13H2,(H,33,34,35)/t18-,22-,23-/m0/s1
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n/an/a 0.745n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501873
PNG
(US11028075, Example 6)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H25ClF5N5O2S/c1-36(2)22-10-15(14-3-5-18(27)16(9-14)25(29,30)31)4-6-20(22)34-21-12-19(28)23(11-17(21)26)39(37,38)35-24-7-8-32-13-33-24/h3,5,7-9,11-13,15,20,22,34H,4,6,10H2,1-2H3,(H,32,33,35)/t15-,20-,22-/m0/s1
PDB

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n/an/a 0.765n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501873
PNG
(US11028075, Example 6)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H25ClF5N5O2S/c1-36(2)22-10-15(14-3-5-18(27)16(9-14)25(29,30)31)4-6-20(22)34-21-12-19(28)23(11-17(21)26)39(37,38)35-24-7-8-32-13-33-24/h3,5,7-9,11-13,15,20,22,34H,4,6,10H2,1-2H3,(H,32,33,35)/t15-,20-,22-/m0/s1
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n/an/a 0.791n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501914
PNG
(US11028075, Example 47)
Show SMILES Fc1cc2N(CCOc2cc1S(=O)(=O)Nc1ccncn1)[C@H]1CC[C@@H](C[C@@H]1N1CCCC1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C29H31F4N5O3S/c30-22-16-25-26(17-27(22)42(39,40)36-28-8-9-34-18-35-28)41-13-12-38(25)23-7-6-20(15-24(23)37-10-1-2-11-37)19-4-3-5-21(14-19)29(31,32)33/h3-5,8-9,14,16-18,20,23-24H,1-2,6-7,10-13,15H2,(H,34,35,36)/t20-,23-,24-/m0/s1
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n/an/a 0.794n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501929
PNG
(US11028075, Example 62)
Show SMILES Fc1cc(c(F)cc1N[C@H]1CC[C@@H](C[C@@H]1N1CCCCC1)c1cccc(c1)C(F)(F)F)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C28H30F5N5O2S/c29-21-16-26(41(39,40)37-27-9-10-34-17-35-27)22(30)15-24(21)36-23-8-7-19(14-25(23)38-11-2-1-3-12-38)18-5-4-6-20(13-18)28(31,32)33/h4-6,9-10,13,15-17,19,23,25,36H,1-3,7-8,11-12,14H2,(H,34,35,37)/t19-,23-,25-/m0/s1
PDB

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n/an/a 0.816n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501953
PNG
(US11028075, Example 86)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cc(ccc1Cl)C(F)(F)F
Show InChI InChI=1S/C25H24Cl2F4N4O3S/c1-35(2)20-9-14(16-10-15(25(29,30)31)4-5-17(16)26)3-6-21(20)38-22-12-19(28)23(11-18(22)27)39(36,37)34-24-7-8-32-13-33-24/h4-5,7-8,10-14,20-21H,3,6,9H2,1-2H3,(H,32,33,34)/t14-,20-,21-/m0/s1
PDB

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n/an/a 0.819n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501906
PNG
(US11028075, Example 39)
Show SMILES CN([C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F)C(=O)C1CN(C)C1
Show InChI InChI=1S/C29H31ClF4N6O3S/c1-39-14-19(15-39)28(41)40(2)25-11-18(17-4-3-5-20(10-17)29(32,33)34)6-7-23(25)37-24-13-22(31)26(12-21(24)30)44(42,43)38-27-8-9-35-16-36-27/h3-5,8-10,12-13,16,18-19,23,25,37H,6-7,11,14-15H2,1-2H3,(H,35,36,38)/t18-,23-,25-/m0/s1
PDB

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n/an/a 0.830n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501951
PNG
(US11028075, Example 84)
Show SMILES Fc1ccc(cc1C(F)(F)F)[C@H]1CC[C@H](Nc2cc(F)c(cc2F)S(=O)(=O)Nc2ccncn2)[C@H](C1)N1CCCC1
Show InChI InChI=1S/C27H27F6N5O2S/c28-19-5-3-16(11-18(19)27(31,32)33)17-4-6-22(24(12-17)38-9-1-2-10-38)36-23-13-21(30)25(14-20(23)29)41(39,40)37-26-7-8-34-15-35-26/h3,5,7-8,11,13-15,17,22,24,36H,1-2,4,6,9-10,12H2,(H,34,35,37)/t17-,22-,24-/m0/s1
PDB

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n/an/a 0.877n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501882
PNG
(US11028075, Example 15)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cc(F)cc(c1)C(F)(F)F
Show InChI InChI=1S/C25H25ClF5N5O2S/c1-36(2)22-9-14(15-7-16(25(29,30)31)10-17(27)8-15)3-4-20(22)34-21-12-19(28)23(11-18(21)26)39(37,38)35-24-5-6-32-13-33-24/h5-8,10-14,20,22,34H,3-4,9H2,1-2H3,(H,32,33,35)/t14-,20-,22-/m0/s1
PDB

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n/an/a 0.886n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501907
PNG
(US11028075, Example 40)
Show SMILES CN(C1CCC1)[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1F)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C28H30F5N5O2S/c1-38(20-6-3-7-20)25-13-18(17-4-2-5-19(12-17)28(31,32)33)8-9-23(25)36-24-14-22(30)26(15-21(24)29)41(39,40)37-27-10-11-34-16-35-27/h2,4-5,10-12,14-16,18,20,23,25,36H,3,6-9,13H2,1H3,(H,34,35,37)/t18-,23-,25-/m0/s1
PDB

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n/an/a 0.905n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501883
PNG
(US11028075, Example 16)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1F)C(F)(F)F
Show InChI InChI=1S/C25H25ClF5N5O2S/c1-36(2)21-10-14(15-4-3-5-16(24(15)28)25(29,30)31)6-7-19(21)34-20-12-18(27)22(11-17(20)26)39(37,38)35-23-8-9-32-13-33-23/h3-5,8-9,11-14,19,21,34H,6-7,10H2,1-2H3,(H,32,33,35)/t14-,19-,21-/m0/s1
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n/an/a 0.923n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501937
PNG
(US11028075, Example 70)
Show SMILES Fc1cc(c(F)cc1O[C@H]1CC[C@@H](C[C@@H]1N1CCCC1)c1cccc(c1F)C(F)(F)F)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C27H26F6N4O3S/c28-19-14-24(41(38,39)36-25-8-9-34-15-35-25)20(29)13-23(19)40-22-7-6-16(12-21(22)37-10-1-2-11-37)17-4-3-5-18(26(17)30)27(31,32)33/h3-5,8-9,13-16,21-22H,1-2,6-7,10-12H2,(H,34,35,36)/t16-,21-,22-/m0/s1
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n/an/a 0.966n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501875
PNG
(US11028075, Example 8)
Show SMILES CN(C)[C@H]1C[C@@H](Cc2cccc(c2)C(F)(F)F)CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C26H28ClF4N5O2S/c1-36(2)23-12-17(10-16-4-3-5-18(11-16)26(29,30)31)6-7-21(23)34-22-14-20(28)24(13-19(22)27)39(37,38)35-25-8-9-32-15-33-25/h3-5,8-9,11,13-15,17,21,23,34H,6-7,10,12H2,1-2H3,(H,32,33,35)/t17-,21+,23+/m1/s1
PDB

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n/an/a 0.991n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501869
PNG
(US11028075, Example 2)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1N1CCOc2cc(c(F)cc12)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H29F4N5O3S/c1-35(2)22-13-18(17-4-3-5-19(12-17)27(29,30)31)6-7-21(22)36-10-11-39-24-15-25(20(28)14-23(24)36)40(37,38)34-26-8-9-32-16-33-26/h3-5,8-9,12,14-16,18,21-22H,6-7,10-11,13H2,1-2H3,(H,32,33,34)/t18-,21-,22-/m0/s1
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n/an/a 1.01n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501884
PNG
(US11028075, Example 17)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cc(ccc1F)C(F)(F)F
Show InChI InChI=1S/C25H25ClF5N5O2S/c1-36(2)22-9-14(16-10-15(25(29,30)31)4-5-18(16)27)3-6-20(22)34-21-12-19(28)23(11-17(21)26)39(37,38)35-24-7-8-32-13-33-24/h4-5,7-8,10-14,20,22,34H,3,6,9H2,1-2H3,(H,32,33,35)/t14-,20-,22-/m0/s1
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n/an/a 1.03n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501932
PNG
(US11028075, Example 65)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C24H24Cl3FN4O3S/c1-32(2)20-9-14(16-10-15(25)4-5-17(16)26)3-6-21(20)35-22-12-19(28)23(11-18(22)27)36(33,34)31-24-7-8-29-13-30-24/h4-5,7-8,10-14,20-21H,3,6,9H2,1-2H3,(H,29,30,31)/t14-,20-,21-/m0/s1
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n/an/a 1.03n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501910
PNG
(US11028075, Example 43)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(OC2CC2)c1
Show InChI InChI=1S/C27H31ClFN5O3S/c1-34(2)25-13-18(17-4-3-5-20(12-17)37-19-7-8-19)6-9-23(25)32-24-15-22(29)26(14-21(24)28)38(35,36)33-27-10-11-30-16-31-27/h3-5,10-12,14-16,18-19,23,25,32H,6-9,13H2,1-2H3,(H,30,31,33)/t18-,23-,25-/m0/s1
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n/an/a 1.12n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501914
PNG
(US11028075, Example 47)
Show SMILES Fc1cc2N(CCOc2cc1S(=O)(=O)Nc1ccncn1)[C@H]1CC[C@@H](C[C@@H]1N1CCCC1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C29H31F4N5O3S/c30-22-16-25-26(17-27(22)42(39,40)36-28-8-9-34-18-35-28)41-13-12-38(25)23-7-6-20(15-24(23)37-10-1-2-11-37)19-4-3-5-21(14-19)29(31,32)33/h3-5,8-9,14,16-18,20,23-24H,1-2,6-7,10-13,15H2,(H,34,35,36)/t20-,23-,24-/m0/s1
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n/an/a 1.16n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501954
PNG
(US11028075, Example 87)
Show SMILES CN1CC(C1)N[C@H]1C[C@H](CC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H28ClF4N5O3S/c1-37-13-19(14-37)35-22-10-17(16-3-2-4-18(9-16)27(30,31)32)5-6-23(22)40-24-12-21(29)25(11-20(24)28)41(38,39)36-26-7-8-33-15-34-26/h2-4,7-9,11-12,15,17,19,22-23,35H,5-6,10,13-14H2,1H3,(H,33,34,36)/t17-,22-,23-/m0/s1
PDB

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n/an/a 1.18n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501871
PNG
(US11028075, Example 4)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H25Cl3FN5O2S/c1-33(2)22-10-15(14-3-5-16(25)17(26)9-14)4-6-20(22)31-21-12-19(28)23(11-18(21)27)36(34,35)32-24-7-8-29-13-30-24/h3,5,7-9,11-13,15,20,22,31H,4,6,10H2,1-2H3,(H,29,30,32)/t15-,20-,22-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501958
PNG
(US11028075, Example 91)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(C)(F)F
Show InChI InChI=1S/C26H28ClF3N4O3S/c1-26(29,30)18-6-4-5-16(11-18)17-7-8-22(21(12-17)34(2)3)37-23-14-20(28)24(13-19(23)27)38(35,36)33-25-9-10-31-15-32-25/h4-6,9-11,13-15,17,21-22H,7-8,12H2,1-3H3,(H,31,32,33)/t17-,21-,22-/m0/s1
PDB

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n/an/a 1.20n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501883
PNG
(US11028075, Example 16)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1F)C(F)(F)F
Show InChI InChI=1S/C25H25ClF5N5O2S/c1-36(2)21-10-14(15-4-3-5-16(24(15)28)25(29,30)31)6-7-19(21)34-20-12-18(27)22(11-17(20)26)39(37,38)35-23-8-9-32-13-33-23/h3-5,8-9,11-14,19,21,34H,6-7,10H2,1-2H3,(H,32,33,35)/t14-,19-,21-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501890
PNG
(US11028075, Example 23)
Show SMILES Fc1cc(c(F)cc1N[C@H]1CC[C@@H](C[C@@H]1N1CCCC1)c1cccc(c1)C(F)(F)F)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C27H28F5N5O2S/c28-20-15-25(40(38,39)36-26-8-9-33-16-34-26)21(29)14-23(20)35-22-7-6-18(13-24(22)37-10-1-2-11-37)17-4-3-5-19(12-17)27(30,31)32/h3-5,8-9,12,14-16,18,22,24,35H,1-2,6-7,10-11,13H2,(H,33,34,36)/t18-,22-,24-/m0/s1
PDB

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n/an/a 1.21n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501917
PNG
(US11028075, Example 50)
Show SMILES Fc1cc(c(F)cc1N[C@H]1CC[C@@H](C[C@@H]1N1CCCC1)c1cc(ccc1F)C(F)(F)F)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C27H27F6N5O2S/c28-19-5-4-17(27(31,32)33)12-18(19)16-3-6-22(24(11-16)38-9-1-2-10-38)36-23-13-21(30)25(14-20(23)29)41(39,40)37-26-7-8-34-15-35-26/h4-5,7-8,12-16,22,24,36H,1-3,6,9-11H2,(H,34,35,37)/t16-,22-,24-/m0/s1
PDB

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n/an/a 1.21n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501894
PNG
(US11028075, Example 27)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(CC(F)(F)F)c1
Show InChI InChI=1S/C26H28ClF4N5O2S/c1-36(2)23-11-18(17-5-3-4-16(10-17)14-26(29,30)31)6-7-21(23)34-22-13-20(28)24(12-19(22)27)39(37,38)35-25-8-9-32-15-33-25/h3-5,8-10,12-13,15,18,21,23,34H,6-7,11,14H2,1-2H3,(H,32,33,35)/t18-,21-,23-/m0/s1
PDB

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n/an/a 1.22n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501894
PNG
(US11028075, Example 27)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(CC(F)(F)F)c1
Show InChI InChI=1S/C26H28ClF4N5O2S/c1-36(2)23-11-18(17-5-3-4-16(10-17)14-26(29,30)31)6-7-21(23)34-22-13-20(28)24(12-19(22)27)39(37,38)35-25-8-9-32-15-33-25/h3-5,8-10,12-13,15,18,21,23,34H,6-7,11,14H2,1-2H3,(H,32,33,35)/t18-,21-,23-/m0/s1
PDB

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n/an/a 1.33n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501880
PNG
(US11028075, Example 13)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1F)S(=O)(=O)Nc1ccncn1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H25F8N5O2S/c1-39(2)22-9-14(15-7-16(25(29,30)31)10-17(8-15)26(32,33)34)3-4-20(22)37-21-11-19(28)23(12-18(21)27)42(40,41)38-24-5-6-35-13-36-24/h5-8,10-14,20,22,37H,3-4,9H2,1-2H3,(H,35,36,38)/t14-,20-,22-/m0/s1
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n/an/a 1.36n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501886
PNG
(US11028075, Example 19)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1F)S(=O)(=O)Nc1ccncn1)c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C25H26F5N5O3S/c1-35(2)22-11-16(15-4-3-5-17(10-15)38-25(28,29)30)6-7-20(22)33-21-12-19(27)23(13-18(21)26)39(36,37)34-24-8-9-31-14-32-24/h3-5,8-10,12-14,16,20,22,33H,6-7,11H2,1-2H3,(H,31,32,34)/t16-,20-,22-/m0/s1
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n/an/a 1.36n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501945
PNG
(US11028075, Example 78)
Show SMILES CN(C)[C@@H]1C[C@@H](CC[C@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C25H26ClF4N5O2S/c1-35(2)22-11-15(16-5-3-4-6-17(16)25(28,29)30)7-8-20(22)33-21-13-19(27)23(12-18(21)26)38(36,37)34-24-9-10-31-14-32-24/h3-6,9-10,12-15,20,22,33H,7-8,11H2,1-2H3,(H,31,32,34)/t15-,20-,22-/m1/s1
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n/an/a 1.37n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501872
PNG
(US11028075, Example 5)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1OC(F)F)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C26H27F6N5O3S/c1-37(2)21-11-16(15-4-3-5-17(10-15)26(30,31)32)6-7-19(21)35-20-12-18(27)23(13-22(20)40-25(28)29)41(38,39)36-24-8-9-33-14-34-24/h3-5,8-10,12-14,16,19,21,25,35H,6-7,11H2,1-2H3,(H,33,34,36)/t16-,19-,21-/m0/s1
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n/an/a 1.37n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501931
PNG
(US11028075, Example 64)
Show SMILES Fc1cc(O[C@H]2CC[C@@H](C[C@@H]2N2CCCC2)c2cccc(OC(F)(F)F)c2)c(Cl)cc1S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C27H27ClF4N4O4S/c28-20-14-25(41(37,38)35-26-8-9-33-16-34-26)21(29)15-24(20)39-23-7-6-18(13-22(23)36-10-1-2-11-36)17-4-3-5-19(12-17)40-27(30,31)32/h3-5,8-9,12,14-16,18,22-23H,1-2,6-7,10-11,13H2,(H,33,34,35)/t18-,22-,23-/m0/s1
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n/an/a 1.37n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501921
PNG
(US11028075, Example 54)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1N1CCCc2cc(c(F)cc12)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C28H31F4N5O2S/c1-36(2)25-14-19(18-5-3-7-21(13-18)28(30,31)32)8-9-23(25)37-12-4-6-20-15-26(22(29)16-24(20)37)40(38,39)35-27-10-11-33-17-34-27/h3,5,7,10-11,13,15-17,19,23,25H,4,6,8-9,12,14H2,1-2H3,(H,33,34,35)/t19-,23-,25-/m0/s1
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n/an/a 1.41n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501928
PNG
(US11028075, Example 61)
Show SMILES Fc1cc(c(F)cc1N[C@H]1CC[C@@H](C[C@@H]1N1CCCC1)c1cccc(OC(F)(F)F)c1)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C27H28F5N5O3S/c28-20-15-25(41(38,39)36-26-8-9-33-16-34-26)21(29)14-23(20)35-22-7-6-18(13-24(22)37-10-1-2-11-37)17-4-3-5-19(12-17)40-27(30,31)32/h3-5,8-9,12,14-16,18,22,24,35H,1-2,6-7,10-11,13H2,(H,33,34,36)/t18-,22-,24-/m0/s1
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n/an/a 1.54n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501884
PNG
(US11028075, Example 17)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cc(ccc1F)C(F)(F)F
Show InChI InChI=1S/C25H25ClF5N5O2S/c1-36(2)22-9-14(16-10-15(25(29,30)31)4-5-18(16)27)3-6-20(22)34-21-12-19(28)23(11-17(21)26)39(37,38)35-24-7-8-32-13-33-24/h4-5,7-8,10-14,20,22,34H,3,6,9H2,1-2H3,(H,32,33,35)/t14-,20-,22-/m0/s1
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n/an/a 1.55n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM417387
PNG
(US10457654, Example 239 | US11028075, Example 82)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C24H24Cl3FN4O3S/c1-32(2)20-9-14(15-7-16(25)10-17(26)8-15)3-4-21(20)35-22-12-19(28)23(11-18(22)27)36(33,34)31-24-5-6-29-13-30-24/h5-8,10-14,20-21H,3-4,9H2,1-2H3,(H,29,30,31)/t14-,20-,21-/m0/s1
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n/an/a 1.57n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501899
PNG
(US11028075, Example 32)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(C)(F)F
Show InChI InChI=1S/C26H29ClF3N5O2S/c1-26(29,30)18-6-4-5-16(11-18)17-7-8-21(23(12-17)35(2)3)33-22-14-20(28)24(13-19(22)27)38(36,37)34-25-9-10-31-15-32-25/h4-6,9-11,13-15,17,21,23,33H,7-8,12H2,1-3H3,(H,31,32,34)/t17-,21-,23-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501927
PNG
(US11028075, Example 60)
Show SMILES Fc1cc(O[C@H]2CC[C@@H](C[C@@H]2N2CCCC2)c2cccc(c2)C(F)(F)F)c(Cl)cc1S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C27H27ClF4N4O3S/c28-20-14-25(40(37,38)35-26-8-9-33-16-34-26)21(29)15-24(20)39-23-7-6-18(13-22(23)36-10-1-2-11-36)17-4-3-5-19(12-17)27(30,31)32/h3-5,8-9,12,14-16,18,22-23H,1-2,6-7,10-11,13H2,(H,33,34,35)/t18-,22-,23-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501926
PNG
(US11028075, Example 59)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ccncn1)c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C25H25F5N4O4S/c1-34(2)20-11-16(15-4-3-5-17(10-15)38-25(28,29)30)6-7-21(20)37-22-12-19(27)23(13-18(22)26)39(35,36)33-24-8-9-31-14-32-24/h3-5,8-10,12-14,16,20-21H,6-7,11H2,1-2H3,(H,31,32,33)/t16-,20-,21-/m0/s1
PDB

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n/an/a 1.62n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501890
PNG
(US11028075, Example 23)
Show SMILES Fc1cc(c(F)cc1N[C@H]1CC[C@@H](C[C@@H]1N1CCCC1)c1cccc(c1)C(F)(F)F)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C27H28F5N5O2S/c28-20-15-25(40(38,39)36-26-8-9-33-16-34-26)21(29)14-23(20)35-22-7-6-18(13-24(22)37-10-1-2-11-37)17-4-3-5-19(12-17)27(30,31)32/h3-5,8-9,12,14-16,18,22,24,35H,1-2,6-7,10-11,13H2,(H,33,34,36)/t18-,22-,24-/m0/s1
PDB

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n/an/a 1.63n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501881
PNG
(US11028075, Example 14)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(OC(F)F)c1
Show InChI InChI=1S/C25H27ClF3N5O3S/c1-34(2)22-11-16(15-4-3-5-17(10-15)37-25(28)29)6-7-20(22)32-21-13-19(27)23(12-18(21)26)38(35,36)33-24-8-9-30-14-31-24/h3-5,8-10,12-14,16,20,22,25,32H,6-7,11H2,1-2H3,(H,30,31,33)/t16-,20-,22-/m0/s1
PDB

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n/an/a 1.63n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501878
PNG
(US11028075, Example 11)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(C)c1
Show InChI InChI=1S/C25H29ClFN5O2S/c1-16-5-4-6-17(11-16)18-7-8-21(23(12-18)32(2)3)30-22-14-20(27)24(13-19(22)26)35(33,34)31-25-9-10-28-15-29-25/h4-6,9-11,13-15,18,21,23,30H,7-8,12H2,1-3H3,(H,28,29,31)/t18-,21-,23-/m0/s1
PDB

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n/an/a 1.64n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501935
PNG
(US11028075, Example 68)
Show SMILES CCN[C@H]1C[C@H](CC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H25ClF4N4O3S/c1-2-32-20-11-16(15-4-3-5-17(10-15)25(28,29)30)6-7-21(20)37-22-13-19(27)23(12-18(22)26)38(35,36)34-24-8-9-31-14-33-24/h3-5,8-10,12-14,16,20-21,32H,2,6-7,11H2,1H3,(H,31,33,34)/t16-,20-,21-/m0/s1
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n/an/a 1.69n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501941
PNG
(US11028075, Example 74)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cc(ccc1F)C(F)(F)F
Show InChI InChI=1S/C25H24ClF5N4O3S/c1-35(2)20-9-14(16-10-15(25(29,30)31)4-5-18(16)27)3-6-21(20)38-22-12-19(28)23(11-17(22)26)39(36,37)34-24-7-8-32-13-33-24/h4-5,7-8,10-14,20-21H,3,6,9H2,1-2H3,(H,32,33,34)/t14-,20-,21-/m0/s1
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n/an/a 1.85n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501920
PNG
(US11028075, Example 53)
Show SMILES CN(C)[C@@H]1C[C@@]2(C(C[C@H]1N(C)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)C2(Cl)Cl)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H26Cl3F4N5O2S/c1-38(2)21-13-25(15-5-4-6-16(9-15)27(32,33)34)23(26(25,29)30)12-20(21)39(3)19-11-18(31)22(10-17(19)28)42(40,41)37-24-7-8-35-14-36-24/h4-11,14,20-21,23H,12-13H2,1-3H3,(H,35,36,37)/t20-,21-,23?,25+/m1/s1
PDB

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n/an/a 1.86n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501913
PNG
(US11028075, Example 46)
Show SMILES Oc1cc(c(F)cc1N[C@H]1CC[C@@H](C[C@@H]1N1CCCC1)c1cccc(c1)C(F)(F)F)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C27H29F4N5O3S/c28-20-14-22(24(37)15-25(20)40(38,39)35-26-8-9-32-16-33-26)34-21-7-6-18(13-23(21)36-10-1-2-11-36)17-4-3-5-19(12-17)27(29,30)31/h3-5,8-9,12,14-16,18,21,23,34,37H,1-2,6-7,10-11,13H2,(H,32,33,35)/t18-,21-,23-/m0/s1
PDB

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n/an/a 1.90n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501902
PNG
(US11028075, Example 35 | US11028075, Example 38)
Show SMILES CN(C)[C@H]1C[C@](O)(CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H26ClF4N5O3S/c1-35(2)21-13-24(36,15-4-3-5-16(10-15)25(28,29)30)8-6-19(21)33-20-12-18(27)22(11-17(20)26)39(37,38)34-23-7-9-31-14-32-23/h3-5,7,9-12,14,19,21,33,36H,6,8,13H2,1-2H3,(H,31,32,34)/t19-,21-,24+/m0/s1
PDB

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n/an/a 1.92n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501923
PNG
(US11028075, Example 56)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Oc1cc(F)c(cc1Br)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H25BrF4N4O3S/c1-34(2)20-11-16(15-4-3-5-17(10-15)25(28,29)30)6-7-21(20)37-22-13-19(27)23(12-18(22)26)38(35,36)33-24-8-9-31-14-32-24/h3-5,8-10,12-14,16,20-21H,6-7,11H2,1-2H3,(H,31,32,33)/t16-,20-,21-/m0/s1
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n/an/a 1.92n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501899
PNG
(US11028075, Example 32)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(C)(F)F
Show InChI InChI=1S/C26H29ClF3N5O2S/c1-26(29,30)18-6-4-5-16(11-18)17-7-8-21(23(12-17)35(2)3)33-22-14-20(28)24(13-19(22)27)38(36,37)34-25-9-10-31-15-32-25/h4-6,9-11,13-15,17,21,23,33H,7-8,12H2,1-3H3,(H,31,32,34)/t17-,21-,23-/m0/s1
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n/an/a 2.04n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501906
PNG
(US11028075, Example 39)
Show SMILES CN([C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F)C(=O)C1CN(C)C1
Show InChI InChI=1S/C29H31ClF4N6O3S/c1-39-14-19(15-39)28(41)40(2)25-11-18(17-4-3-5-20(10-17)29(32,33)34)6-7-23(25)37-24-13-22(31)26(12-21(24)30)44(42,43)38-27-8-9-35-16-36-27/h3-5,8-10,12-13,16,18-19,23,25,37H,6-7,11,14-15H2,1-2H3,(H,35,36,38)/t18-,23-,25-/m0/s1
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n/an/a 2.07n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501952
PNG
(US11028075, Example 85)
Show SMILES Fc1cc(cc(c1)C(F)(F)F)[C@H]1CC[C@H](Nc2cc(F)c(cc2F)S(=O)(=O)Nc2ccncn2)[C@H](C1)N1CCCC1
Show InChI InChI=1S/C27H27F6N5O2S/c28-19-10-17(9-18(12-19)27(31,32)33)16-3-4-22(24(11-16)38-7-1-2-8-38)36-23-13-21(30)25(14-20(23)29)41(39,40)37-26-5-6-34-15-35-26/h5-6,9-10,12-16,22,24,36H,1-4,7-8,11H2,(H,34,35,37)/t16-,22-,24-/m0/s1
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n/an/a 2.24n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501896
PNG
(US11028075, Example 29)
Show SMILES CN(C)CC(=O)N(C)[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C28H31ClF4N6O3S/c1-38(2)15-27(40)39(3)24-12-18(17-5-4-6-19(11-17)28(31,32)33)7-8-22(24)36-23-14-21(30)25(13-20(23)29)43(41,42)37-26-9-10-34-16-35-26/h4-6,9-11,13-14,16,18,22,24,36H,7-8,12,15H2,1-3H3,(H,34,35,37)/t18-,22-,24-/m0/s1
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n/an/a 2.25n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501892
PNG
(US11028075, Example 25)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cc(F)cc(Cl)c1
Show InChI InChI=1S/C24H25Cl2F2N5O2S/c1-33(2)22-9-14(15-7-16(25)10-17(27)8-15)3-4-20(22)31-21-12-19(28)23(11-18(21)26)36(34,35)32-24-5-6-29-13-30-24/h5-8,10-14,20,22,31H,3-4,9H2,1-2H3,(H,29,30,32)/t14-,20-,22-/m0/s1
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n/an/a 2.31n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501900
PNG
(US11028075, Example 33)
Show SMILES CN([C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F)C(=O)[C@H]1CCN(C)C1
Show InChI InChI=1S/C30H33ClF4N6O3S/c1-40-11-9-20(16-40)29(42)41(2)26-13-19(18-4-3-5-21(12-18)30(33,34)35)6-7-24(26)38-25-15-23(32)27(14-22(25)31)45(43,44)39-28-8-10-36-17-37-28/h3-5,8,10,12,14-15,17,19-20,24,26,38H,6-7,9,11,13,16H2,1-2H3,(H,36,37,39)/t19-,20-,24-,26-/m0/s1
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n/an/a 2.45n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501933
PNG
(US11028075, Example 66)
Show SMILES CN(CCO)[C@H]1C[C@H](CC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C26H27ClF4N4O4S/c1-35(9-10-36)21-12-17(16-3-2-4-18(11-16)26(29,30)31)5-6-22(21)39-23-14-20(28)24(13-19(23)27)40(37,38)34-25-7-8-32-15-33-25/h2-4,7-8,11,13-15,17,21-22,36H,5-6,9-10,12H2,1H3,(H,32,33,34)/t17-,21-,22-/m0/s1
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n/an/a 2.59n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501924
PNG
(US11028075, Example 57)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Oc1ccc(c(F)c1)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H26F4N4O3S/c1-33(2)21-13-17(16-4-3-5-18(12-16)25(27,28)29)6-8-22(21)36-19-7-9-23(20(26)14-19)37(34,35)32-24-10-11-30-15-31-24/h3-5,7,9-12,14-15,17,21-22H,6,8,13H2,1-2H3,(H,30,31,32)/t17-,21-,22-/m0/s1
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n/an/a 2.59n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501901
PNG
(US11028075, Example 34)
Show SMILES CN([C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F)C(=O)[C@@H]1CCN(C)C1
Show InChI InChI=1S/C30H33ClF4N6O3S/c1-40-11-9-20(16-40)29(42)41(2)26-13-19(18-4-3-5-21(12-18)30(33,34)35)6-7-24(26)38-25-15-23(32)27(14-22(25)31)45(43,44)39-28-8-10-36-17-37-28/h3-5,8,10,12,14-15,17,19-20,24,26,38H,6-7,9,11,13,16H2,1-2H3,(H,36,37,39)/t19-,20+,24-,26-/m0/s1
PDB

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n/an/a 2.60n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501942
PNG
(US11028075, Example 75)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C24H24Cl3FN4O3S/c1-32(2)19-10-14(15-4-3-5-16(25)24(15)27)6-7-20(19)35-21-12-18(28)22(11-17(21)26)36(33,34)31-23-8-9-29-13-30-23/h3-5,8-9,11-14,19-20H,6-7,10H2,1-2H3,(H,29,30,31)/t14-,19-,20-/m0/s1
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n/an/a 2.62n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501922
PNG
(US11028075, Example 55)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1N1C(=O)CCc2cc(c(F)cc12)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C28H29F4N5O3S/c1-36(2)24-13-18(17-4-3-5-20(12-17)28(30,31)32)6-8-22(24)37-23-15-21(29)25(14-19(23)7-9-27(37)38)41(39,40)35-26-10-11-33-16-34-26/h3-5,10-12,14-16,18,22,24H,6-9,13H2,1-2H3,(H,33,34,35)/t18-,22-,24-/m0/s1
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n/an/a 2.68n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501916
PNG
(US11028075, Example 49)
Show SMILES Fc1cc2N([C@H]3CC[C@@H](C[C@@H]3N3CCCC3)c3cccc(c3)C(F)(F)F)C(=O)COc2cc1S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C29H29F4N5O4S/c30-21-14-24-25(15-26(21)43(40,41)36-27-8-9-34-17-35-27)42-16-28(39)38(24)22-7-6-19(13-23(22)37-10-1-2-11-37)18-4-3-5-20(12-18)29(31,32)33/h3-5,8-9,12,14-15,17,19,22-23H,1-2,6-7,10-11,13,16H2,(H,34,35,36)/t19-,22-,23-/m0/s1
PDB

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n/an/a 2.73n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501925
PNG
(US11028075, Example 58)
Show SMILES Fc1cc(c(F)cc1O[C@H]1CC[C@@H](C[C@@H]1N1CCCC1)c1cccc(c1)C(F)(F)F)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C27H27F5N4O3S/c28-20-15-25(40(37,38)35-26-8-9-33-16-34-26)21(29)14-24(20)39-23-7-6-18(13-22(23)36-10-1-2-11-36)17-4-3-5-19(12-17)27(30,31)32/h3-5,8-9,12,14-16,18,22-23H,1-2,6-7,10-11,13H2,(H,33,34,35)/t18-,22-,23-/m0/s1
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n/an/a 2.73n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501877
PNG
(US11028075, Example 10)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1n1ccc2cc(c(F)cc12)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H27F4N5O2S/c1-35(2)24-13-18(17-4-3-5-20(12-17)27(29,30)31)6-7-22(24)36-11-9-19-14-25(21(28)15-23(19)36)39(37,38)34-26-8-10-32-16-33-26/h3-5,8-12,14-16,18,22,24H,6-7,13H2,1-2H3,(H,32,33,34)/t18-,22-,24-/m0/s1
PDB

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n/an/a 2.74n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501898
PNG
(US11028075, Example 31)
Show SMILES CC(C)[C@H](N)C(=O)N(C)[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C29H33ClF4N6O3S/c1-16(2)27(35)28(41)40(3)24-12-18(17-5-4-6-19(11-17)29(32,33)34)7-8-22(24)38-23-14-21(31)25(13-20(23)30)44(42,43)39-26-9-10-36-15-37-26/h4-6,9-11,13-16,18,22,24,27,38H,7-8,12,35H2,1-3H3,(H,36,37,39)/t18-,22-,24-,27-/m0/s1
PDB

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n/an/a 2.78n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501893
PNG
(US11028075, Example 26)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(F)c1
Show InChI InChI=1S/C24H26ClF2N5O2S/c1-32(2)22-11-16(15-4-3-5-17(26)10-15)6-7-20(22)30-21-13-19(27)23(12-18(21)25)35(33,34)31-24-8-9-28-14-29-24/h3-5,8-10,12-14,16,20,22,30H,6-7,11H2,1-2H3,(H,28,29,31)/t16-,20-,22-/m0/s1
PDB

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n/an/a 2.97n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501892
PNG
(US11028075, Example 25)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cc(F)cc(Cl)c1
Show InChI InChI=1S/C24H25Cl2F2N5O2S/c1-33(2)22-9-14(15-7-16(25)10-17(27)8-15)3-4-20(22)31-21-12-19(28)23(11-18(21)26)36(34,35)32-24-5-6-29-13-30-24/h5-8,10-14,20,22,31H,3-4,9H2,1-2H3,(H,29,30,32)/t14-,20-,22-/m0/s1
PDB

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n/an/a 3.02n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501868
PNG
(US11028075, Example 1)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1N1C(=O)COc2cc(c(F)cc12)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H27F4N5O4S/c1-35(2)21-11-17(16-4-3-5-18(10-16)27(29,30)31)6-7-20(21)36-22-12-19(28)24(13-23(22)40-14-26(36)37)41(38,39)34-25-8-9-32-15-33-25/h3-5,8-10,12-13,15,17,20-21H,6-7,11,14H2,1-2H3,(H,32,33,34)/t17-,20-,21-/m0/s1
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n/an/a 3.13n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501953
PNG
(US11028075, Example 86)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cc(ccc1Cl)C(F)(F)F
Show InChI InChI=1S/C25H24Cl2F4N4O3S/c1-35(2)20-9-14(16-10-15(25(29,30)31)4-5-17(16)26)3-6-21(20)38-22-12-19(28)23(11-18(22)27)39(36,37)34-24-7-8-32-13-33-24/h4-5,7-8,10-14,20-21H,3,6,9H2,1-2H3,(H,32,33,34)/t14-,20-,21-/m0/s1
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n/an/a 3.28n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501940
PNG
(US11028075, Example 73)
Show SMILES CN(C)[C@H]1CN(CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)S(=O)(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H25ClF4N6O4S2/c1-34(2)21-13-35(41(38,39)16-5-3-4-15(10-16)24(27,28)29)9-7-19(21)32-20-12-18(26)22(11-17(20)25)40(36,37)33-23-6-8-30-14-31-23/h3-6,8,10-12,14,19,21,32H,7,9,13H2,1-2H3,(H,30,31,33)/t19-,21-/m0/s1
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n/an/a 3.34n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501915
PNG
(US11028075, Example 48)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H25F5N4O3S/c1-34(2)20-11-16(15-4-3-5-17(10-15)25(28,29)30)6-7-21(20)37-22-12-19(27)23(13-18(22)26)38(35,36)33-24-8-9-31-14-32-24/h3-5,8-10,12-14,16,20-21H,6-7,11H2,1-2H3,(H,31,32,33)/t16-,20-,21-/m0/s1
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n/an/a 3.34n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501896
PNG
(US11028075, Example 29)
Show SMILES CN(C)CC(=O)N(C)[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C28H31ClF4N6O3S/c1-38(2)15-27(40)39(3)24-12-18(17-5-4-6-19(11-17)28(31,32)33)7-8-22(24)36-23-14-21(30)25(13-20(23)29)43(41,42)37-26-9-10-34-16-35-26/h4-6,9-11,13-14,16,18,22,24,36H,7-8,12,15H2,1-3H3,(H,34,35,37)/t18-,22-,24-/m0/s1
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n/an/a 3.56n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501934
PNG
(US11028075, Example 67)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H24Cl3FN4O3S/c1-32(2)20-10-15(14-3-5-16(25)17(26)9-14)4-6-21(20)35-22-12-19(28)23(11-18(22)27)36(33,34)31-24-7-8-29-13-30-24/h3,5,7-9,11-13,15,20-21H,4,6,10H2,1-2H3,(H,29,30,31)/t15-,20-,21-/m0/s1
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n/an/a 3.83n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501917
PNG
(US11028075, Example 50)
Show SMILES Fc1cc(c(F)cc1N[C@H]1CC[C@@H](C[C@@H]1N1CCCC1)c1cc(ccc1F)C(F)(F)F)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C27H27F6N5O2S/c28-19-5-4-17(27(31,32)33)12-18(19)16-3-6-22(24(11-16)38-9-1-2-10-38)36-23-13-21(30)25(14-20(23)29)41(39,40)37-26-7-8-34-15-35-26/h4-5,7-8,12-16,22,24,36H,1-3,6,9-11H2,(H,34,35,37)/t16-,22-,24-/m0/s1
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n/an/a 3.88n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501902
PNG
(US11028075, Example 35 | US11028075, Example 38)
Show SMILES CN(C)[C@H]1C[C@](O)(CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H26ClF4N5O3S/c1-35(2)21-13-24(36,15-4-3-5-16(10-15)25(28,29)30)8-6-19(21)33-20-12-18(27)22(11-17(20)26)39(37,38)34-23-7-9-31-14-32-23/h3-5,7,9-12,14,19,21,33,36H,6,8,13H2,1-2H3,(H,31,32,34)/t19-,21-,24+/m0/s1
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n/an/a 3.95n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501959
PNG
(US11028075, Example 92)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1S/C25H24Cl2F4N4O3S/c1-35(2)19-10-14(15-4-3-5-16(24(15)27)25(29,30)31)6-7-20(19)38-21-12-18(28)22(11-17(21)26)39(36,37)34-23-8-9-32-13-33-23/h3-5,8-9,11-14,19-20H,6-7,10H2,1-2H3,(H,32,33,34)/t14-,19-,20-/m0/s1
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n/an/a 3.99n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501941
PNG
(US11028075, Example 74)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cc(ccc1F)C(F)(F)F
Show InChI InChI=1S/C25H24ClF5N4O3S/c1-35(2)20-9-14(16-10-15(25(29,30)31)4-5-18(16)27)3-6-21(20)38-22-12-19(28)23(11-17(22)26)39(36,37)34-24-7-8-32-13-33-24/h4-5,7-8,10-14,20-21H,3,6,9H2,1-2H3,(H,32,33,34)/t14-,20-,21-/m0/s1
PDB

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n/an/a 4.01n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501881
PNG
(US11028075, Example 14)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(OC(F)F)c1
Show InChI InChI=1S/C25H27ClF3N5O3S/c1-34(2)22-11-16(15-4-3-5-17(10-15)37-25(28)29)6-7-20(22)32-21-13-19(27)23(12-18(21)26)38(35,36)33-24-8-9-30-14-31-24/h3-5,8-10,12-14,16,20,22,25,32H,6-7,11H2,1-2H3,(H,30,31,33)/t16-,20-,22-/m0/s1
PDB

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n/an/a 4.64n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501918
PNG
(US11028075, Example 51)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1N(C)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C26H28ClF4N5O2S/c1-35(2)23-12-17(16-5-4-6-18(11-16)26(29,30)31)7-8-21(23)36(3)22-14-20(28)24(13-19(22)27)39(37,38)34-25-9-10-32-15-33-25/h4-6,9-11,13-15,17,21,23H,7-8,12H2,1-3H3,(H,32,33,34)/t17-,21-,23-/m0/s1
PDB

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n/an/a 4.65n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501932
PNG
(US11028075, Example 65)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C24H24Cl3FN4O3S/c1-32(2)20-9-14(16-10-15(25)4-5-17(16)26)3-6-21(20)35-22-12-19(28)23(11-18(22)27)36(33,34)31-24-7-8-29-13-30-24/h4-5,7-8,10-14,20-21H,3,6,9H2,1-2H3,(H,29,30,31)/t14-,20-,21-/m0/s1
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n/an/a 5.41n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501958
PNG
(US11028075, Example 91)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(C)(F)F
Show InChI InChI=1S/C26H28ClF3N4O3S/c1-26(29,30)18-6-4-5-16(11-18)17-7-8-22(21(12-17)34(2)3)37-23-14-20(28)24(13-19(23)27)38(35,36)33-25-9-10-31-15-32-25/h4-6,9-11,13-15,17,21-22H,7-8,12H2,1-3H3,(H,31,32,33)/t17-,21-,22-/m0/s1
PDB

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n/an/a 6.13n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501950
PNG
(US11028075, Example 83)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C1CCOCC1
Show InChI InChI=1S/C29H34ClFN4O4S/c1-35(2)25-15-22(21-5-3-4-20(14-21)19-9-12-38-13-10-19)6-7-26(25)39-27-17-24(31)28(16-23(27)30)40(36,37)34-29-8-11-32-18-33-29/h3-5,8,11,14,16-19,22,25-26H,6-7,9-10,12-13,15H2,1-2H3,(H,32,33,34)/t22-,25-,26-/m0/s1
PDB

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n/an/a 6.36n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501875
PNG
(US11028075, Example 8)
Show SMILES CN(C)[C@H]1C[C@@H](Cc2cccc(c2)C(F)(F)F)CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C26H28ClF4N5O2S/c1-36(2)23-12-17(10-16-4-3-5-18(11-16)26(29,30)31)6-7-21(23)34-22-14-20(28)24(13-19(22)27)39(37,38)35-25-8-9-32-15-33-25/h3-5,8-9,11,13-15,17,21,23,34H,6-7,10,12H2,1-2H3,(H,32,33,35)/t17-,21+,23+/m1/s1
PDB

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n/an/a 6.45n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501922
PNG
(US11028075, Example 55)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1N1C(=O)CCc2cc(c(F)cc12)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C28H29F4N5O3S/c1-36(2)24-13-18(17-4-3-5-20(12-17)28(30,31)32)6-8-22(24)37-23-15-21(29)25(14-19(23)7-9-27(37)38)41(39,40)35-26-10-11-33-16-34-26/h3-5,10-12,14-16,18,22,24H,6-9,13H2,1-2H3,(H,33,34,35)/t18-,22-,24-/m0/s1
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n/an/a 6.73n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501910
PNG
(US11028075, Example 43)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(OC2CC2)c1
Show InChI InChI=1S/C27H31ClFN5O3S/c1-34(2)25-13-18(17-4-3-5-20(12-17)37-19-7-8-19)6-9-23(25)32-24-15-22(29)26(14-21(24)28)38(35,36)33-27-10-11-30-16-31-27/h3-5,10-12,14-16,18-19,23,25,32H,6-9,13H2,1-2H3,(H,30,31,33)/t18-,23-,25-/m0/s1
PDB

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n/an/a 7n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501938
PNG
(US11028075, Example 71)
Show SMILES CN(C)[C@H]1CN(CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cc(ccn1)C(F)(F)F
Show InChI InChI=1S/C23H24ClF4N7O2S/c1-34(2)19-12-35(22-9-14(3-7-30-22)23(26,27)28)8-5-17(19)32-18-11-16(25)20(10-15(18)24)38(36,37)33-21-4-6-29-13-31-21/h3-4,6-7,9-11,13,17,19,32H,5,8,12H2,1-2H3,(H,29,31,33)/t17-,19-/m0/s1
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n/an/a 7.04n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501937
PNG
(US11028075, Example 70)
Show SMILES Fc1cc(c(F)cc1O[C@H]1CC[C@@H](C[C@@H]1N1CCCC1)c1cccc(c1F)C(F)(F)F)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C27H26F6N4O3S/c28-19-14-24(41(38,39)36-25-8-9-34-15-35-25)20(29)13-23(19)40-22-7-6-16(12-21(22)37-10-1-2-11-37)17-4-3-5-18(26(17)30)27(31,32)33/h3-5,8-9,13-16,21-22H,1-2,6-7,10-12H2,(H,34,35,36)/t16-,21-,22-/m0/s1
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n/an/a 7.22n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501887
PNG
(US11028075, Example 20)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1)-n1cccn1
Show InChI InChI=1S/C27H29ClFN7O2S/c1-35(2)25-14-19(18-5-3-6-20(13-18)36-12-4-10-32-36)7-8-23(25)33-24-16-22(29)26(15-21(24)28)39(37,38)34-27-9-11-30-17-31-27/h3-6,9-13,15-17,19,23,25,33H,7-8,14H2,1-2H3,(H,30,31,34)/t19-,23-,25-/m0/s1
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n/an/a 7.38n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501878
PNG
(US11028075, Example 11)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(C)c1
Show InChI InChI=1S/C25H29ClFN5O2S/c1-16-5-4-6-17(11-16)18-7-8-21(23(12-18)32(2)3)30-22-14-20(27)24(13-19(22)26)35(33,34)31-25-9-10-28-15-29-25/h4-6,9-11,13-15,18,21,23,30H,7-8,12H2,1-3H3,(H,28,29,31)/t18-,21-,23-/m0/s1
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n/an/a 7.57n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501954
PNG
(US11028075, Example 87)
Show SMILES CN1CC(C1)N[C@H]1C[C@H](CC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H28ClF4N5O3S/c1-37-13-19(14-37)35-22-10-17(16-3-2-4-18(9-16)27(30,31)32)5-6-23(22)40-24-12-21(29)25(11-20(24)28)41(38,39)36-26-7-8-33-15-34-26/h2-4,7-9,11-12,15,17,19,22-23,35H,5-6,10,13-14H2,1H3,(H,33,34,36)/t17-,22-,23-/m0/s1
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n/an/a 7.94n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501907
PNG
(US11028075, Example 40)
Show SMILES CN(C1CCC1)[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1F)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C28H30F5N5O2S/c1-38(20-6-3-7-20)25-13-18(17-4-2-5-19(12-17)28(31,32)33)8-9-23(25)36-24-14-22(30)26(15-21(24)29)41(39,40)37-27-10-11-34-16-35-27/h2,4-5,10-12,14-16,18,20,23,25,36H,3,6-9,13H2,1H3,(H,34,35,37)/t18-,23-,25-/m0/s1
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n/an/a 8.03n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501888
PNG
(US11028075, Example 21)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1)-c1ccnn1C
Show InChI InChI=1S/C28H31ClFN7O2S/c1-36(2)26-14-19(18-5-4-6-20(13-18)25-9-12-33-37(25)3)7-8-23(26)34-24-16-22(30)27(15-21(24)29)40(38,39)35-28-10-11-31-17-32-28/h4-6,9-13,15-17,19,23,26,34H,7-8,14H2,1-3H3,(H,31,32,35)/t19-,23-,26-/m0/s1
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n/an/a 8.03n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501943
PNG
(US11028075, Example 76)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C24H24ClF4N5O3S/c1-34(2)18-9-14(15-5-8-31-22(10-15)24(27,28)29)3-4-19(18)37-20-12-17(26)21(11-16(20)25)38(35,36)33-23-6-7-30-13-32-23/h5-8,10-14,18-19H,3-4,9H2,1-2H3,(H,30,32,33)/t14-,18-,19-/m0/s1
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n/an/a 8.61n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501911
PNG
(US11028075, Example 44)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C1COC1
Show InChI InChI=1S/C27H31ClFN5O3S/c1-34(2)25-11-19(17-4-3-5-18(10-17)20-14-37-15-20)6-7-23(25)32-24-13-22(29)26(12-21(24)28)38(35,36)33-27-8-9-30-16-31-27/h3-5,8-10,12-13,16,19-20,23,25,32H,6-7,11,14-15H2,1-2H3,(H,30,31,33)/t19-,23-,25-/m0/s1
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n/an/a 9.11n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501887
PNG
(US11028075, Example 20)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1)-n1cccn1
Show InChI InChI=1S/C27H29ClFN7O2S/c1-35(2)25-14-19(18-5-3-6-20(13-18)36-12-4-10-32-36)7-8-23(25)33-24-16-22(29)26(15-21(24)28)39(37,38)34-27-9-11-30-17-31-27/h3-6,9-13,15-17,19,23,25,33H,7-8,14H2,1-2H3,(H,30,31,34)/t19-,23-,25-/m0/s1
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n/an/a 9.43n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501930
PNG
(US11028075, Example 63)
Show SMILES CN[C@H]1C[C@H](CC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H23ClF4N4O3S/c1-30-19-10-15(14-3-2-4-16(9-14)24(27,28)29)5-6-20(19)36-21-12-18(26)22(11-17(21)25)37(34,35)33-23-7-8-31-13-32-23/h2-4,7-9,11-13,15,19-20,30H,5-6,10H2,1H3,(H,31,32,33)/t15-,19-,20-/m0/s1
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n/an/a 11.2n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501893
PNG
(US11028075, Example 26)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(F)c1
Show InChI InChI=1S/C24H26ClF2N5O2S/c1-32(2)22-11-16(15-4-3-5-17(26)10-15)6-7-20(22)30-21-13-19(27)23(12-18(21)25)35(33,34)31-24-8-9-28-14-29-24/h3-5,8-10,12-14,16,20,22,30H,6-7,11H2,1-2H3,(H,28,29,31)/t16-,20-,22-/m0/s1
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n/an/a 11.8n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501945
PNG
(US11028075, Example 78)
Show SMILES CN(C)[C@@H]1C[C@@H](CC[C@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C25H26ClF4N5O2S/c1-35(2)22-11-15(16-5-3-4-6-17(16)25(28,29)30)7-8-20(22)33-21-13-19(27)23(12-18(21)26)38(36,37)34-24-9-10-31-14-32-24/h3-6,9-10,12-15,20,22,33H,7-8,11H2,1-2H3,(H,31,32,34)/t15-,20-,22-/m1/s1
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n/an/a 12.2n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501956
PNG
(US11028075, Example 89)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Nc1ccc(cc1F)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H27F4N5O2S/c1-34(2)23-13-17(16-4-3-5-18(12-16)25(27,28)29)6-8-22(23)32-21-9-7-19(14-20(21)26)37(35,36)33-24-10-11-30-15-31-24/h3-5,7,9-12,14-15,17,22-23,32H,6,8,13H2,1-2H3,(H,30,31,33)/t17-,22-,23-/m0/s1
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n/an/a 12.4n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501888
PNG
(US11028075, Example 21)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1)-c1ccnn1C
Show InChI InChI=1S/C28H31ClFN7O2S/c1-36(2)26-14-19(18-5-4-6-20(13-18)25-9-12-33-37(25)3)7-8-23(26)34-24-16-22(30)27(15-21(24)29)40(38,39)35-28-10-11-31-17-32-28/h4-6,9-13,15-17,19,23,26,34H,7-8,14H2,1-3H3,(H,31,32,35)/t19-,23-,26-/m0/s1
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n/an/a 12.9n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501955
PNG
(US11028075, Example 88)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Nc1c(F)cc(cc1F)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H26F5N5O2S/c1-35(2)22-11-16(15-4-3-5-17(10-15)25(28,29)30)6-7-21(22)33-24-19(26)12-18(13-20(24)27)38(36,37)34-23-8-9-31-14-32-23/h3-5,8-10,12-14,16,21-22,33H,6-7,11H2,1-2H3,(H,31,32,34)/t16-,21-,22-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501946
PNG
(US11028075, Example 79)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Oc1ccc(cc1F)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H26F4N4O3S/c1-33(2)21-13-17(16-4-3-5-18(12-16)25(27,28)29)6-8-23(21)36-22-9-7-19(14-20(22)26)37(34,35)32-24-10-11-30-15-31-24/h3-5,7,9-12,14-15,17,21,23H,6,8,13H2,1-2H3,(H,30,31,32)/t17-,21-,23-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501868
PNG
(US11028075, Example 1)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1N1C(=O)COc2cc(c(F)cc12)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H27F4N5O4S/c1-35(2)21-11-17(16-4-3-5-18(10-16)27(29,30)31)6-7-20(21)36-22-12-19(28)24(13-23(22)40-14-26(36)37)41(38,39)34-25-8-9-32-15-33-25/h3-5,8-10,12-13,15,17,20-21H,6-7,11,14H2,1-2H3,(H,32,33,34)/t17-,20-,21-/m0/s1
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n/an/a 18.8n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501889
PNG
(US11028075, Example 22)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1)-c1cnn(C)c1
Show InChI InChI=1S/C28H31ClFN7O2S/c1-36(2)26-12-20(18-5-4-6-19(11-18)21-15-33-37(3)16-21)7-8-24(26)34-25-14-23(30)27(13-22(25)29)40(38,39)35-28-9-10-31-17-32-28/h4-6,9-11,13-17,20,24,26,34H,7-8,12H2,1-3H3,(H,31,32,35)/t20-,24-,26-/m0/s1
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n/an/a 19.4n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501889
PNG
(US11028075, Example 22)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1)-c1cnn(C)c1
Show InChI InChI=1S/C28H31ClFN7O2S/c1-36(2)26-12-20(18-5-4-6-19(11-18)21-15-33-37(3)16-21)7-8-24(26)34-25-14-23(30)27(13-22(25)29)40(38,39)35-28-9-10-31-17-32-28/h4-6,9-11,13-17,20,24,26,34H,7-8,12H2,1-3H3,(H,31,32,35)/t20-,24-,26-/m0/s1
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n/an/a 21.2n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501925
PNG
(US11028075, Example 58)
Show SMILES Fc1cc(c(F)cc1O[C@H]1CC[C@@H](C[C@@H]1N1CCCC1)c1cccc(c1)C(F)(F)F)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C27H27F5N4O3S/c28-20-15-25(40(37,38)35-26-8-9-33-16-34-26)21(29)14-24(20)39-23-7-6-18(13-22(23)36-10-1-2-11-36)17-4-3-5-19(12-17)27(30,31)32/h3-5,8-9,12,14-16,18,22-23H,1-2,6-7,10-11,13H2,(H,33,34,35)/t18-,22-,23-/m0/s1
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n/an/a 22.7n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501939
PNG
(US11028075, Example 72)
Show SMILES CN(C)[C@H]1CN(CC[C@@H]1Nc1ccc(c(F)c1)S(=O)(=O)Nc1ccncn1)c1cc(ccn1)C(F)(F)F
Show InChI InChI=1S/C23H25F4N7O2S/c1-33(2)19-13-34(22-11-15(5-9-29-22)23(25,26)27)10-7-18(19)31-16-3-4-20(17(24)12-16)37(35,36)32-21-6-8-28-14-30-21/h3-6,8-9,11-12,14,18-19,31H,7,10,13H2,1-2H3,(H,28,30,32)/t18-,19-/m0/s1
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n/an/a 23.1n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501916
PNG
(US11028075, Example 49)
Show SMILES Fc1cc2N([C@H]3CC[C@@H](C[C@@H]3N3CCCC3)c3cccc(c3)C(F)(F)F)C(=O)COc2cc1S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C29H29F4N5O4S/c30-21-14-24-25(15-26(21)43(40,41)36-27-8-9-34-17-35-27)42-16-28(39)38(24)22-7-6-19(13-23(22)37-10-1-2-11-37)18-4-3-5-20(12-18)29(31,32)33/h3-5,8-9,12,14-15,17,19,22-23H,1-2,6-7,10-11,13,16H2,(H,34,35,36)/t19-,22-,23-/m0/s1
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n/an/a 23.6n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501913
PNG
(US11028075, Example 46)
Show SMILES Oc1cc(c(F)cc1N[C@H]1CC[C@@H](C[C@@H]1N1CCCC1)c1cccc(c1)C(F)(F)F)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C27H29F4N5O3S/c28-20-14-22(24(37)15-25(20)40(38,39)35-26-8-9-32-16-33-26)34-21-7-6-18(13-23(21)36-10-1-2-11-36)17-4-3-5-19(12-17)27(29,30)31/h3-5,8-9,12,14-16,18,21,23,34,37H,1-2,6-7,10-11,13H2,(H,32,33,35)/t18-,21-,23-/m0/s1
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n/an/a 24.5n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501877
PNG
(US11028075, Example 10)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1n1ccc2cc(c(F)cc12)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H27F4N5O2S/c1-35(2)24-13-18(17-4-3-5-20(12-17)27(29,30)31)6-7-22(24)36-11-9-19-14-25(21(28)15-23(19)36)39(37,38)34-26-8-10-32-16-33-26/h3-5,8-12,14-16,18,22,24H,6-7,13H2,1-2H3,(H,32,33,34)/t18-,22-,24-/m0/s1
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n/an/a 25.8n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501870
PNG
(US11028075, Example 3)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1n1c2cc(F)c(cc2oc1=O)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C26H25F4N5O4S/c1-34(2)20-11-16(15-4-3-5-17(10-15)26(28,29)30)6-7-19(20)35-21-12-18(27)23(13-22(21)39-25(35)36)40(37,38)33-24-8-9-31-14-32-24/h3-5,8-10,12-14,16,19-20H,6-7,11H2,1-2H3,(H,31,32,33)/t16-,19-,20-/m0/s1
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n/an/a 26.2n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501897
PNG
(US11028075, Example 30)
Show SMILES CC(C)[C@H](N)C(=O)N[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C28H31ClF4N6O3S/c1-15(2)26(34)27(40)38-23-11-17(16-4-3-5-18(10-16)28(31,32)33)6-7-21(23)37-22-13-20(30)24(12-19(22)29)43(41,42)39-25-8-9-35-14-36-25/h3-5,8-10,12-15,17,21,23,26,37H,6-7,11,34H2,1-2H3,(H,38,40)(H,35,36,39)/t17-,21-,23-,26-/m0/s1
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n/an/a 28.4n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501926
PNG
(US11028075, Example 59)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ccncn1)c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C25H25F5N4O4S/c1-34(2)20-11-16(15-4-3-5-17(10-15)38-25(28,29)30)6-7-21(20)37-22-12-19(27)23(13-18(22)26)39(35,36)33-24-8-9-31-14-32-24/h3-5,8-10,12-14,16,20-21H,6-7,11H2,1-2H3,(H,31,32,33)/t16-,20-,21-/m0/s1
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n/an/a 32.6n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501924
PNG
(US11028075, Example 57)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Oc1ccc(c(F)c1)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H26F4N4O3S/c1-33(2)21-13-17(16-4-3-5-18(12-16)25(27,28)29)6-8-22(21)36-19-7-9-23(20(26)14-19)37(34,35)32-24-10-11-30-15-31-24/h3-5,7,9-12,14-15,17,21-22H,6,8,13H2,1-2H3,(H,30,31,32)/t17-,21-,22-/m0/s1
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n/an/a 35.3n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501895
PNG
(US11028075, Example 28)
Show SMILES CN(C)CC(=O)N[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H29ClF4N6O3S/c1-38(2)14-26(39)36-23-11-17(16-4-3-5-18(10-16)27(30,31)32)6-7-21(23)35-22-13-20(29)24(12-19(22)28)42(40,41)37-25-8-9-33-15-34-25/h3-5,8-10,12-13,15,17,21,23,35H,6-7,11,14H2,1-2H3,(H,36,39)(H,33,34,37)/t17-,21-,23-/m0/s1
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n/an/a 36.3n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501897
PNG
(US11028075, Example 30)
Show SMILES CC(C)[C@H](N)C(=O)N[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C28H31ClF4N6O3S/c1-15(2)26(34)27(40)38-23-11-17(16-4-3-5-18(10-16)28(31,32)33)6-7-21(23)37-22-13-20(30)24(12-19(22)29)43(41,42)39-25-8-9-35-14-36-25/h3-5,8-10,12-15,17,21,23,26,37H,6-7,11,34H2,1-2H3,(H,38,40)(H,35,36,39)/t17-,21-,23-,26-/m0/s1
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n/an/a 37.5n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501915
PNG
(US11028075, Example 48)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H25F5N4O3S/c1-34(2)20-11-16(15-4-3-5-17(10-15)25(28,29)30)6-7-21(20)37-22-12-19(27)23(13-18(22)26)38(35,36)33-24-8-9-31-14-32-24/h3-5,8-10,12-14,16,20-21H,6-7,11H2,1-2H3,(H,31,32,33)/t16-,20-,21-/m0/s1
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n/an/a 37.7n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501950
PNG
(US11028075, Example 83)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C1CCOCC1
Show InChI InChI=1S/C29H34ClFN4O4S/c1-35(2)25-15-22(21-5-3-4-20(14-21)19-9-12-38-13-10-19)6-7-26(25)39-27-17-24(31)28(16-23(27)30)40(36,37)34-29-8-11-32-18-33-29/h3-5,8,11,14,16-19,22,25-26H,6-7,9-10,12-13,15H2,1-2H3,(H,32,33,34)/t22-,25-,26-/m0/s1
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n/an/a 38.6n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501911
PNG
(US11028075, Example 44)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C1COC1
Show InChI InChI=1S/C27H31ClFN5O3S/c1-34(2)25-11-19(17-4-3-5-18(10-17)20-14-37-15-20)6-7-23(25)32-24-13-22(29)26(12-21(24)28)38(35,36)33-27-8-9-30-16-31-27/h3-5,8-10,12-13,16,19-20,23,25,32H,6-7,11,14-15H2,1-2H3,(H,30,31,33)/t19-,23-,25-/m0/s1
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n/an/a 45.8n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501920
PNG
(US11028075, Example 53)
Show SMILES CN(C)[C@@H]1C[C@@]2(C(C[C@H]1N(C)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)C2(Cl)Cl)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H26Cl3F4N5O2S/c1-38(2)21-13-25(15-5-4-6-16(9-15)27(32,33)34)23(26(25,29)30)12-20(21)39(3)19-11-18(31)22(10-17(19)28)42(40,41)37-24-7-8-35-14-36-24/h4-11,14,20-21,23H,12-13H2,1-3H3,(H,35,36,37)/t20-,21-,23?,25+/m1/s1
PDB

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n/an/a 46.2n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501942
PNG
(US11028075, Example 75)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C24H24Cl3FN4O3S/c1-32(2)19-10-14(15-4-3-5-16(25)24(15)27)6-7-20(19)35-21-12-18(28)22(11-17(21)26)36(33,34)31-23-8-9-29-13-30-23/h3-5,8-9,11-14,19-20H,6-7,10H2,1-2H3,(H,29,30,31)/t14-,19-,20-/m0/s1
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n/an/a 50.6n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501959
PNG
(US11028075, Example 92)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1S/C25H24Cl2F4N4O3S/c1-35(2)19-10-14(15-4-3-5-16(24(15)27)25(29,30)31)6-7-20(19)38-21-12-18(28)22(11-17(21)26)39(36,37)34-23-8-9-32-13-33-23/h3-5,8-9,11-14,19-20H,6-7,10H2,1-2H3,(H,32,33,34)/t14-,19-,20-/m0/s1
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n/an/a 55.7n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501943
PNG
(US11028075, Example 76)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C24H24ClF4N5O3S/c1-34(2)18-9-14(15-5-8-31-22(10-15)24(27,28)29)3-4-19(18)37-20-12-17(26)21(11-16(20)25)38(35,36)33-23-6-7-30-13-32-23/h5-8,10-14,18-19H,3-4,9H2,1-2H3,(H,30,32,33)/t14-,18-,19-/m0/s1
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n/an/a 78.8n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501940
PNG
(US11028075, Example 73)
Show SMILES CN(C)[C@H]1CN(CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)S(=O)(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H25ClF4N6O4S2/c1-34(2)21-13-35(41(38,39)16-5-3-4-15(10-16)24(27,28)29)9-7-19(21)32-20-12-18(26)22(11-17(20)25)40(36,37)33-23-6-8-30-14-31-23/h3-6,8,10-12,14,19,21,32H,7,9,13H2,1-2H3,(H,30,31,33)/t19-,21-/m0/s1
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n/an/a 82.3n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501870
PNG
(US11028075, Example 3)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1n1c2cc(F)c(cc2oc1=O)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C26H25F4N5O4S/c1-34(2)20-11-16(15-4-3-5-17(10-15)26(28,29)30)6-7-19(20)35-21-12-18(27)23(13-22(21)39-25(35)36)40(37,38)33-24-8-9-31-14-32-24/h3-5,8-10,12-14,16,19-20H,6-7,11H2,1-2H3,(H,31,32,33)/t16-,19-,20-/m0/s1
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n/an/a 83.1n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501895
PNG
(US11028075, Example 28)
Show SMILES CN(C)CC(=O)N[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H29ClF4N6O3S/c1-38(2)14-26(39)36-23-11-17(16-4-3-5-18(10-16)27(30,31)32)6-7-21(23)35-22-13-20(29)24(12-19(22)28)42(40,41)37-25-8-9-33-15-34-25/h3-5,8-10,12-13,15,17,21,23,35H,6-7,11,14H2,1-2H3,(H,36,39)(H,33,34,37)/t17-,21-,23-/m0/s1
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n/an/a 84n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501903
PNG
(US11028075, Example 36)
Show SMILES CN(C)[C@H]1C[C@@](O)(CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H26ClF4N5O3S/c1-35(2)21-13-24(36,15-4-3-5-16(10-15)25(28,29)30)8-6-19(21)33-20-12-18(27)22(11-17(20)26)39(37,38)34-23-7-9-31-14-32-23/h3-5,7,9-12,14,19,21,33,36H,6,8,13H2,1-2H3,(H,31,32,34)/t19-,21-,24-/m0/s1
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n/an/a 144n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501938
PNG
(US11028075, Example 71)
Show SMILES CN(C)[C@H]1CN(CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cc(ccn1)C(F)(F)F
Show InChI InChI=1S/C23H24ClF4N7O2S/c1-34(2)19-12-35(22-9-14(3-7-30-22)23(26,27)28)8-5-17(19)32-18-11-16(25)20(10-15(18)24)38(36,37)33-21-4-6-29-13-31-21/h3-4,6-7,9-11,13,17,19,32H,5,8,12H2,1-2H3,(H,29,31,33)/t17-,19-/m0/s1
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n/an/a 169n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501918
PNG
(US11028075, Example 51)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1N(C)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C26H28ClF4N5O2S/c1-35(2)23-12-17(16-5-4-6-18(11-16)26(29,30)31)7-8-21(23)36(3)22-14-20(28)24(13-19(22)27)39(37,38)34-25-9-10-32-15-33-25/h4-6,9-11,13-15,17,21,23H,7-8,12H2,1-3H3,(H,32,33,34)/t17-,21-,23-/m0/s1
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n/an/a 169n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501955
PNG
(US11028075, Example 88)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Nc1c(F)cc(cc1F)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H26F5N5O2S/c1-35(2)22-11-16(15-4-3-5-17(10-15)25(28,29)30)6-7-21(22)33-24-19(26)12-18(13-20(24)27)38(36,37)34-23-8-9-31-14-32-23/h3-5,8-10,12-14,16,21-22,33H,6-7,11H2,1-2H3,(H,31,32,34)/t16-,21-,22-/m0/s1
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n/an/a 170n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501944
PNG
(US11028075, Example 77)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C25H26ClF4N5O2S/c1-35(2)22-11-15(16-5-3-4-6-17(16)25(28,29)30)7-8-20(22)33-21-13-19(27)23(12-18(21)26)38(36,37)34-24-9-10-31-14-32-24/h3-6,9-10,12-15,20,22,33H,7-8,11H2,1-2H3,(H,31,32,34)/t15-,20-,22-/m0/s1
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n/an/a 211n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501946
PNG
(US11028075, Example 79)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Oc1ccc(cc1F)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H26F4N4O3S/c1-33(2)21-13-17(16-4-3-5-18(12-16)25(27,28)29)6-8-23(21)36-22-9-7-19(14-20(22)26)37(34,35)32-24-10-11-30-15-31-24/h3-5,7,9-12,14-15,17,21,23H,6,8,13H2,1-2H3,(H,30,31,32)/t17-,21-,23-/m0/s1
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n/an/a 223n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501939
PNG
(US11028075, Example 72)
Show SMILES CN(C)[C@H]1CN(CC[C@@H]1Nc1ccc(c(F)c1)S(=O)(=O)Nc1ccncn1)c1cc(ccn1)C(F)(F)F
Show InChI InChI=1S/C23H25F4N7O2S/c1-33(2)19-13-34(22-11-15(5-9-29-22)23(25,26)27)10-7-18(19)31-16-3-4-20(17(24)12-16)37(35,36)32-21-6-8-28-14-30-21/h3-6,8-9,11-12,14,18-19,31H,7,10,13H2,1-2H3,(H,28,30,32)/t18-,19-/m0/s1
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n/an/a 274n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501903
PNG
(US11028075, Example 36)
Show SMILES CN(C)[C@H]1C[C@@](O)(CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H26ClF4N5O3S/c1-35(2)21-13-24(36,15-4-3-5-16(10-15)25(28,29)30)8-6-19(21)33-20-12-18(27)22(11-17(20)26)39(37,38)34-23-7-9-31-14-32-23/h3-5,7,9-12,14,19,21,33,36H,6,8,13H2,1-2H3,(H,31,32,34)/t19-,21-,24-/m0/s1
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n/an/a 309n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501904
PNG
(US11028075, Example 37)
Show SMILES CN(C)[C@@H]1C[C@@](O)(CC[C@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H26ClF4N5O3S/c1-35(2)21-13-24(36,15-4-3-5-16(10-15)25(28,29)30)8-6-19(21)33-20-12-18(27)22(11-17(20)26)39(37,38)34-23-7-9-31-14-32-23/h3-5,7,9-12,14,19,21,33,36H,6,8,13H2,1-2H3,(H,31,32,34)/t19-,21-,24+/m1/s1
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n/an/a 371n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501919
PNG
(US11028075, Example 52)
Show SMILES CN(C)[C@H]1C[C@]2([C@@H](C[C@@H]1N(C)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)C2(Cl)Cl)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H26Cl3F4N5O2S/c1-38(2)21-13-25(15-5-4-6-16(9-15)27(32,33)34)23(26(25,29)30)12-20(21)39(3)19-11-18(31)22(10-17(19)28)42(40,41)37-24-7-8-35-14-36-24/h4-11,14,20-21,23H,12-13H2,1-3H3,(H,35,36,37)/t20-,21-,23+,25+/m0/s1
PDB

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n/an/a 496n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501944
PNG
(US11028075, Example 77)
Show SMILES CN(C)[C@H]1C[C@H](CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C25H26ClF4N5O2S/c1-35(2)22-11-15(16-5-3-4-6-17(16)25(28,29)30)7-8-20(22)33-21-13-19(27)23(12-18(21)26)38(36,37)34-24-9-10-31-14-32-24/h3-6,9-10,12-15,20,22,33H,7-8,11H2,1-2H3,(H,31,32,34)/t15-,20-,22-/m0/s1
PDB

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n/an/a 643n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501902
PNG
(US11028075, Example 35 | US11028075, Example 38)
Show SMILES CN(C)[C@H]1C[C@](O)(CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H26ClF4N5O3S/c1-35(2)21-13-24(36,15-4-3-5-16(10-15)25(28,29)30)8-6-19(21)33-20-12-18(27)22(11-17(20)26)39(37,38)34-23-7-9-31-14-32-23/h3-5,7,9-12,14,19,21,33,36H,6,8,13H2,1-2H3,(H,31,32,34)/t19-,21-,24+/m0/s1
PDB

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n/an/a 2.00E+3n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501919
PNG
(US11028075, Example 52)
Show SMILES CN(C)[C@H]1C[C@]2([C@@H](C[C@@H]1N(C)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)C2(Cl)Cl)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H26Cl3F4N5O2S/c1-38(2)21-13-25(15-5-4-6-16(9-15)27(32,33)34)23(26(25,29)30)12-20(21)39(3)19-11-18(31)22(10-17(19)28)42(40,41)37-24-7-8-35-14-36-24/h4-11,14,20-21,23H,12-13H2,1-3H3,(H,35,36,37)/t20-,21-,23+,25+/m0/s1
PDB

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n/an/a 2.00E+3n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501904
PNG
(US11028075, Example 37)
Show SMILES CN(C)[C@@H]1C[C@@](O)(CC[C@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H26ClF4N5O3S/c1-35(2)21-13-24(36,15-4-3-5-16(10-15)25(28,29)30)8-6-19(21)33-20-12-18(27)22(11-17(20)26)39(37,38)34-23-7-9-31-14-32-23/h3-5,7,9-12,14,19,21,33,36H,6,8,13H2,1-2H3,(H,31,32,34)/t19-,21-,24+/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydroge...


US Patent US11028075 (2021)

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


(Homo sapiens (Human))
BDBM501902
PNG
(US11028075, Example 35 | US11028075, Example 38)
Show SMILES CN(C)[C@H]1C[C@](O)(CC[C@@H]1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H26ClF4N5O3S/c1-35(2)21-13-24(36,15-4-3-5-16(10-15)25(28,29)30)8-6-19(21)33-20-12-18(27)22(11-17(20)26)39(37,38)34-23-7-9-31-14-32-23/h3-5,7,9-12,14,19,21,33,36H,6,8,13H2,1-2H3,(H,31,32,34)/t19-,21-,24+/m0/s1
PDB

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n/an/a 9.44E+3n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1....


US Patent US11028075 (2021)

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