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Patent code US10239869

Compile Data Set for Download or QSAR

Found 405 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM371616
PNG
((R)-4-(2-(6-Fluoropyridin-3-yl)-4-(trifluoromethyl...)
Show SMILES Fc1ccc(cn1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F
Show InChI InChI=1S/C25H18F4N4O3S/c26-23-6-1-15(13-31-23)21-11-16(25(27,28)29)2-4-18(21)19-8-10-36-22-12-17(3-5-20(19)22)37(34,35)33-24-7-9-30-14-32-24/h1-7,9,11-14,19H,8,10H2,(H,30,32,33)/t19-/m1/s1
PDB

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US Patent
n/an/a 0.0400n/an/an/an/an/an/a



LUPIN LIMITED

US Patent


Assay Description
HEK-293 cells overexpressing the channel of interest were seeded in a 96-well plate at a density of 30000 cells/well and incubated at 37 C./5% CO2 f...


US Patent US10239869 (2019)

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


(Homo sapiens (Human))
BDBM371618
PNG
((R)-4-(2-(6-Fluoropyridin-3-yl)-4-(trifluoromethyl...)
Show SMILES Fc1ccc(cn1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1cccnn1)C(F)(F)F
Show InChI InChI=1S/C25H18F4N4O3S/c26-23-8-3-15(14-30-23)21-12-16(25(27,28)29)4-6-18(21)19-9-11-36-22-13-17(5-7-20(19)22)37(34,35)33-24-2-1-10-31-32-24/h1-8,10,12-14,19H,9,11H2,(H,32,33)/t19-/m1/s1
PDB

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US Patent
n/an/a 0.200n/an/an/an/an/an/a



LUPIN LIMITED

US Patent


Assay Description
HEK-293 cells overexpressing the channel of interest were seeded in a 96-well plate at a density of 30000 cells/well and incubated at 37 C./5% CO2 f...


US Patent US10239869 (2019)

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


(Homo sapiens (Human))
BDBM371648
PNG
((R)-N-(6-Fluoropyridin-2-yl)-4-(2-(2-methyloxazol-...)
Show SMILES Cc1nc(co1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1cccc(F)n1)C(F)(F)F
Show InChI InChI=1S/C25H19F4N3O4S/c1-14-30-21(13-36-14)20-11-15(25(27,28)29)5-7-17(20)18-9-10-35-22-12-16(6-8-19(18)22)37(33,34)32-24-4-2-3-23(26)31-24/h2-8,11-13,18H,9-10H2,1H3,(H,31,32)/t18-/m1/s1
PDB

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US Patent
n/an/a 0.200n/an/an/an/an/an/a



LUPIN LIMITED

US Patent


Assay Description
HEK-293 cells overexpressing the channel of interest were seeded in a 96-well plate at a density of 30000 cells/well and incubated at 37 C./5% CO2 f...


US Patent US10239869 (2019)

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


(Homo sapiens (Human))
BDBM371635
PNG
((R)-4-(2-(1H-1,2,3-Triazol-1-yl)-4-(trifluoromethy...)
Show SMILES Fc1cccc(NS(=O)(=O)c2ccc3[C@H](CCOc3c2)c2ccc(cc2-n2ccnn2)C(F)(F)F)n1
Show InChI InChI=1S/C23H17F4N5O3S/c24-21-2-1-3-22(29-21)30-36(33,34)15-5-7-18-16(8-11-35-20(18)13-15)17-6-4-14(23(25,26)27)12-19(17)32-10-9-28-31-32/h1-7,9-10,12-13,16H,8,11H2,(H,29,30)/t16-/m1/s1
PDB

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US Patent
n/an/a 0.300n/an/an/an/an/an/a



LUPIN LIMITED

US Patent


Assay Description
HEK-293 cells overexpressing the channel of interest were seeded in a 96-well plate at a density of 30000 cells/well and incubated at 37 C./5% CO2 f...


US Patent US10239869 (2019)

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


(Homo sapiens (Human))
BDBM371523
PNG
((R)-N-(6-Fluoropyridin-2-yl)-4-(2-(1-methyl-1H-pyr...)
Show SMILES Cn1nccc1-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1cccc(F)n1)C(F)(F)F
Show InChI InChI=1S/C25H20F4N4O3S/c1-33-21(9-11-30-33)20-13-15(25(27,28)29)5-7-17(20)18-10-12-36-22-14-16(6-8-19(18)22)37(34,35)32-24-4-2-3-23(26)31-24/h2-9,11,13-14,18H,10,12H2,1H3,(H,31,32)/t18-/m1/s1
PDB

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n/an/a 0.300n/an/an/an/an/an/a



LUPIN LIMITED

US Patent


Assay Description
HEK-293 cells overexpressing the channel of interest were seeded in a 96-well plate at a density of 30000 cells/well and incubated at 37 C./5% CO2 f...


US Patent US10239869 (2019)

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


(Homo sapiens (Human))
BDBM371776
PNG
((R)-4-(2-(6-methylpyridin-3-yl)-4-(trifluoromethyl...)
Show SMILES Cc1ccc(cn1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncccn1)C(F)(F)F
Show InChI InChI=1/C26H21F3N4O3S/c1-16-3-4-17(15-32-16)23-13-18(26(27,28)29)5-7-20(23)21-9-12-36-24-14-19(6-8-22(21)24)37(34,35)33-25-30-10-2-11-31-25/h2-8,10-11,13-15,21H,9,12H2,1H3,(H,30,31,33)/t21-/s2
PDB

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n/an/a 0.5n/an/an/an/an/an/a



LUPIN LIMITED

US Patent


Assay Description
HEK-293 cells overexpressing the channel of interest were seeded in a 96-well plate at a density of 30000 cells/well and incubated at 37 C./5% CO2 f...


US Patent US10239869 (2019)

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


(Homo sapiens (Human))
BDBM371774
PNG
((R)-4-(2-(5-fluoropyridin-2-yl)-4-(trifluoromethyl...)
Show SMILES Fc1ccc(nc1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1cccnn1)C(F)(F)F
Show InChI InChI=1S/C25H18F4N4O3S/c26-16-4-8-22(30-14-16)21-12-15(25(27,28)29)3-6-18(21)19-9-11-36-23-13-17(5-7-20(19)23)37(34,35)33-24-2-1-10-31-32-24/h1-8,10,12-14,19H,9,11H2,(H,32,33)/t19-/m1/s1
PDB

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n/an/a 0.5n/an/an/an/an/an/a



LUPIN LIMITED

US Patent


Assay Description
HEK-293 cells overexpressing the channel of interest were seeded in a 96-well plate at a density of 30000 cells/well and incubated at 37 C./5% CO2 f...


US Patent US10239869 (2019)

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


(Homo sapiens (Human))
BDBM371736
PNG
(4-(2-(3-fluoropropyl)-4-(trifluoromethyl)phenyl)-N...)
Show SMILES FCCCc1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1cccc(F)n1)C(F)(F)F
Show InChI InChI=1/C24H21F5N2O3S/c25-11-2-3-15-13-16(24(27,28)29)6-8-18(15)19-10-12-34-21-14-17(7-9-20(19)21)35(32,33)31-23-5-1-4-22(26)30-23/h1,4-9,13-14,19H,2-3,10-12H2,(H,30,31)/t19-/s2
PDB

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n/an/a 0.700n/an/an/an/an/an/a



LUPIN LIMITED

US Patent


Assay Description
HEK-293 cells overexpressing the channel of interest were seeded in a 96-well plate at a density of 30000 cells/well and incubated at 37 C./5% CO2 f...


US Patent US10239869 (2019)

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


(Homo sapiens (Human))
BDBM371734
PNG
(4-(2-(3-fluoropropyl)-4-(trifluoromethyl)phenyl)-N...)
Show SMILES FCCCc1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F
Show InChI InChI=1/C23H21F4N3O3S/c24-9-1-2-15-12-16(23(25,26)27)3-5-18(15)19-8-11-33-21-13-17(4-6-20(19)21)34(31,32)30-22-7-10-28-14-29-22/h3-7,10,12-14,19H,1-2,8-9,11H2,(H,28,29,30)/t19-/s2
PDB

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US Patent
n/an/a 0.700n/an/an/an/an/an/a



LUPIN LIMITED

US Patent


Assay Description
HEK-293 cells overexpressing the channel of interest were seeded in a 96-well plate at a density of 30000 cells/well and incubated at 37 C./5% CO2 f...


US Patent US10239869 (2019)

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


(Homo sapiens (Human))
BDBM371755
PNG
((S)-N-(6-fluoropyridin-2-yl)-4-(2-(((S)-tetrahydro...)
Show SMILES Fc1cccc(NS(=O)(=O)c2ccc3[C@H](CCOc3c2)c2ccc(cc2O[C@H]2CCOC2)C(F)(F)F)n1
Show InChI InChI=1S/C25H22F4N2O5S/c26-23-2-1-3-24(30-23)31-37(32,33)17-5-7-19-18(9-11-35-21(19)13-17)20-6-4-15(25(27,28)29)12-22(20)36-16-8-10-34-14-16/h1-7,12-13,16,18H,8-11,14H2,(H,30,31)/t16-,18-/m0/s1
PDB

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n/an/a 0.900n/an/an/an/an/an/a



LUPIN LIMITED

US Patent


Assay Description
HEK-293 cells overexpressing the channel of interest were seeded in a 96-well plate at a density of 30000 cells/well and incubated at 37 C./5% CO2 f...


US Patent US10239869 (2019)

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


(Homo sapiens (Human))
BDBM371643
PNG
((R)-4-(2-(2-Methylthiazol-4-yl)-4-(trifluoromethyl...)
Show SMILES Cc1nc(cs1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F
Show InChI InChI=1S/C24H19F3N4O3S2/c1-14-30-21(12-35-14)20-10-15(24(25,26)27)2-4-17(20)18-7-9-34-22-11-16(3-5-19(18)22)36(32,33)31-23-6-8-28-13-29-23/h2-6,8,10-13,18H,7,9H2,1H3,(H,28,29,31)/t18-/m1/s1
PDB

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n/an/a 0.900n/an/an/an/an/an/a



LUPIN LIMITED

US Patent


Assay Description
HEK-293 cells overexpressing the channel of interest were seeded in a 96-well plate at a density of 30000 cells/well and incubated at 37 C./5% CO2 f...


US Patent US10239869 (2019)

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


(Homo sapiens (Human))
BDBM371540
PNG
((R)-N-(4-Fluoropyridin-2-yl)-4-(2-(1-methyl-1H-pyr...)
Show SMILES Cn1nccc1-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1cc(F)ccn1)C(F)(F)F
Show InChI InChI=1S/C25H20F4N4O3S/c1-33-22(7-10-31-33)21-12-15(25(27,28)29)2-4-18(21)19-8-11-36-23-14-17(3-5-20(19)23)37(34,35)32-24-13-16(26)6-9-30-24/h2-7,9-10,12-14,19H,8,11H2,1H3,(H,30,32)/t19-/m1/s1
PDB

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n/an/a 1n/an/an/an/an/an/a



LUPIN LIMITED

US Patent


Assay Description
HEK-293 cells overexpressing the channel of interest were seeded in a 96-well plate at a density of 30000 cells/well and incubated at 37 C./5% CO2 f...


US Patent US10239869 (2019)

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


(Homo sapiens (Human))
BDBM371652
PNG
((R)-4-(2-(2-methyloxazol-4-yl)-4-(trifluoromethyl)...)
Show SMILES Cc1nc(co1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F
Show InChI InChI=1S/C24H19F3N4O4S/c1-14-30-21(12-35-14)20-10-15(24(25,26)27)2-4-17(20)18-7-9-34-22-11-16(3-5-19(18)22)36(32,33)31-23-6-8-28-13-29-23/h2-6,8,10-13,18H,7,9H2,1H3,(H,28,29,31)/t18-/m1/s1
PDB

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n/an/a 1n/an/an/an/an/an/a



LUPIN LIMITED

US Patent


Assay Description
HEK-293 cells overexpressing the channel of interest were seeded in a 96-well plate at a density of 30000 cells/well and incubated at 37 C./5% CO2 f...


US Patent US10239869 (2019)

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


(Homo sapiens (Human))
BDBM371770
PNG
((R)-4-(2-(5-fluoropyridin-2-yl)-4-(trifluoromethyl...)
Show SMILES Fc1ccc(nc1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncc(F)cn1)C(F)(F)F
Show InChI InChI=1S/C25H17F5N4O3S/c26-15-2-6-22(31-11-15)21-9-14(25(28,29)30)1-4-18(21)19-7-8-37-23-10-17(3-5-20(19)23)38(35,36)34-24-32-12-16(27)13-33-24/h1-6,9-13,19H,7-8H2,(H,32,33,34)/t19-/m1/s1
PDB

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n/an/a 1n/an/an/an/an/an/a



LUPIN LIMITED

US Patent


Assay Description
HEK-293 cells overexpressing the channel of interest were seeded in a 96-well plate at a density of 30000 cells/well and incubated at 37 C./5% CO2 f...


US Patent US10239869 (2019)

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


(Homo sapiens (Human))
BDBM371697
PNG
(N-(6-fluoropyridin-2-yl)-4-(2-morpholino-4-(triflu...)
Show SMILES Fc1cccc(NS(=O)(=O)c2ccc3[C@H](CCOc3c2)c2ccc(cc2N2CCOCC2)C(F)(F)F)n1
Show InChI InChI=1/C25H23F4N3O4S/c26-23-2-1-3-24(30-23)31-37(33,34)17-5-7-20-18(8-11-36-22(20)15-17)19-6-4-16(25(27,28)29)14-21(19)32-9-12-35-13-10-32/h1-7,14-15,18H,8-13H2,(H,30,31)/t18-/s2
PDB

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n/an/a 1n/an/an/an/an/an/a



LUPIN LIMITED

US Patent


Assay Description
HEK-293 cells overexpressing the channel of interest were seeded in a 96-well plate at a density of 30000 cells/well and incubated at 37 C./5% CO2 f...


US Patent US10239869 (2019)

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


(Homo sapiens (Human))
BDBM371768
PNG
((R)-4-(2-(5-fluoropyridin-2-yl)-4-(trifluoromethyl...)
Show SMILES Fc1ccc(nc1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncccn1)C(F)(F)F
Show InChI InChI=1S/C25H18F4N4O3S/c26-16-3-7-22(32-14-16)21-12-15(25(27,28)29)2-5-18(21)19-8-11-36-23-13-17(4-6-20(19)23)37(34,35)33-24-30-9-1-10-31-24/h1-7,9-10,12-14,19H,8,11H2,(H,30,31,33)/t19-/m1/s1
PDB

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n/an/a 1n/an/an/an/an/an/a



LUPIN LIMITED

US Patent


Assay Description
HEK-293 cells overexpressing the channel of interest were seeded in a 96-well plate at a density of 30000 cells/well and incubated at 37 C./5% CO2 f...


US Patent US10239869 (2019)

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


(Homo sapiens (Human))
BDBM371614
PNG
((R)-4-(2-(6-Fluoropyridin-3-yl)-4-(trifluoromethyl...)
Show SMILES Fc1cnc(NS(=O)(=O)c2ccc3[C@H](CCOc3c2)c2ccc(cc2-c2ccc(F)nc2)C(F)(F)F)nc1
Show InChI InChI=1S/C25H17F5N4O3S/c26-16-12-32-24(33-13-16)34-38(35,36)17-3-5-20-19(7-8-37-22(20)10-17)18-4-2-15(25(28,29)30)9-21(18)14-1-6-23(27)31-11-14/h1-6,9-13,19H,7-8H2,(H,32,33,34)/t19-/m1/s1
PDB

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



LUPIN LIMITED

US Patent


Assay Description
HEK-293 cells overexpressing the channel of interest were seeded in a 96-well plate at a density of 30000 cells/well and incubated at 37 C./5% CO2 f...


US Patent US10239869 (2019)

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


(Homo sapiens (Human))
BDBM371788
PNG
(4-(2-(3,3-difluoropropyl)-4-(trifluoromethyl)pheny...)
Show SMILES FC(F)CCc1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1cccnn1)C(F)(F)F
Show InChI InChI=1/C23H20F5N3O3S/c24-21(25)8-3-14-12-15(23(26,27)28)4-6-17(14)18-9-11-34-20-13-16(5-7-19(18)20)35(32,33)31-22-2-1-10-29-30-22/h1-2,4-7,10,12-13,18,21H,3,8-9,11H2,(H,30,31)/t18-/s2
PDB

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



LUPIN LIMITED

US Patent


Assay Description
HEK-293 cells overexpressing the channel of interest were seeded in a 96-well plate at a density of 30000 cells/well and incubated at 37 C./5% CO2 f...


US Patent US10239869 (2019)

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


(Homo sapiens (Human))
BDBM371668
PNG
(N-(pyrimidin-4-yl)-4-(2-(thiazol-2-yl)-4-(trifluor...)
Show SMILES FC(F)(F)c1ccc([C@H]2CCOc3cc(ccc23)S(=O)(=O)Nc2ccncn2)c(c1)-c1nccs1
Show InChI InChI=1/C23H17F3N4O3S2/c24-23(25,26)14-1-3-16(19(11-14)22-28-8-10-34-22)17-6-9-33-20-12-15(2-4-18(17)20)35(31,32)30-21-5-7-27-13-29-21/h1-5,7-8,10-13,17H,6,9H2,(H,27,29,30)/t17-/s2
PDB

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n/an/a 3n/an/an/an/an/an/a



LUPIN LIMITED

US Patent


Assay Description
HEK-293 cells overexpressing the channel of interest were seeded in a 96-well plate at a density of 30000 cells/well and incubated at 37 C./5% CO2 f...


US Patent US10239869 (2019)

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


(Homo sapiens (Human))
BDBM371584
PNG
((R)-4-(2-(1-Methyl-1H-pyrazol-5-yl)-4-(trifluorome...)
Show SMILES Cn1nccc1-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F
Show InChI InChI=1S/C24H20F3N5O3S/c1-32-21(6-10-30-32)20-12-15(24(25,26)27)2-4-17(20)18-8-11-35-22-13-16(3-5-19(18)22)36(33,34)31-23-7-9-28-14-29-23/h2-7,9-10,12-14,18H,8,11H2,1H3,(H,28,29,31)/t18-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



LUPIN LIMITED

US Patent


Assay Description
HEK-293 cells overexpressing the channel of interest were seeded in a 96-well plate at a density of 30000 cells/well and incubated at 37 C./5% CO2 f...


US Patent US10239869 (2019)

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


(Homo sapiens (Human))
BDBM371695
PNG
(4-(2-morpholino-4-(trifluoromethyl)phenyl)-N-(pyri...)
Show SMILES FC(F)(F)c1ccc([C@H]2CCOc3cc(ccc23)S(=O)(=O)Nc2ccncn2)c(c1)N1CCOCC1
Show InChI InChI=1/C24H23F3N4O4S/c25-24(26,27)16-1-3-19(21(13-16)31-8-11-34-12-9-31)18-6-10-35-22-14-17(2-4-20(18)22)36(32,33)30-23-5-7-28-15-29-23/h1-5,7,13-15,18H,6,8-12H2,(H,28,29,30)/t18-/s2
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n/an/a 3n/an/an/an/an/an/a



LUPIN LIMITED

US Patent


Assay Description
HEK-293 cells overexpressing the channel of interest were seeded in a 96-well plate at a density of 30000 cells/well and incubated at 37 C./5% CO2 f...


US Patent US10239869 (2019)

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


(Homo sapiens (Human))
BDBM371639
PNG
((R)-4-(2-(2-Methylthiazol-4-yl)-4-(trifluoromethyl...)
Show SMILES Cc1nc(cs1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncccn1)C(F)(F)F
Show InChI InChI=1S/C24H19F3N4O3S2/c1-14-30-21(13-35-14)20-11-15(24(25,26)27)3-5-17(20)18-7-10-34-22-12-16(4-6-19(18)22)36(32,33)31-23-28-8-2-9-29-23/h2-6,8-9,11-13,18H,7,10H2,1H3,(H,28,29,31)/t18-/m1/s1
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LUPIN LIMITED

US Patent


Assay Description
HEK-293 cells overexpressing the channel of interest were seeded in a 96-well plate at a density of 30000 cells/well and incubated at 37 C./5% CO2 f...


US Patent US10239869 (2019)

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


(Homo sapiens (Human))
BDBM371780
PNG
(N-(6-fluoropyridin-2-yl)-4-(2-(6-methylpyridin-3-y...)
Show SMILES Cc1ccc(cn1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1cccc(F)n1)C(F)(F)F
Show InChI InChI=1/C27H21F4N3O3S/c1-16-5-6-17(15-32-16)23-13-18(27(29,30)31)7-9-20(23)21-11-12-37-24-14-19(8-10-22(21)24)38(35,36)34-26-4-2-3-25(28)33-26/h2-10,13-15,21H,11-12H2,1H3,(H,33,34)/t21-/s2
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LUPIN LIMITED

US Patent


Assay Description
HEK-293 cells overexpressing the channel of interest were seeded in a 96-well plate at a density of 30000 cells/well and incubated at 37 C./5% CO2 f...


US Patent US10239869 (2019)

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


(Homo sapiens (Human))
BDBM371667
PNG
(N-(pyrimidin-2-yl)-4-(2-(thiazol-2-yl)-4-(trifluor...)
Show SMILES FC(F)(F)c1ccc([C@H]2CCOc3cc(ccc23)S(=O)(=O)Nc2ncccn2)c(c1)-c1nccs1
Show InChI InChI=1/C23H17F3N4O3S2/c24-23(25,26)14-2-4-16(19(12-14)21-27-9-11-34-21)17-6-10-33-20-13-15(3-5-18(17)20)35(31,32)30-22-28-7-1-8-29-22/h1-5,7-9,11-13,17H,6,10H2,(H,28,29,30)/t17-/s2
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LUPIN LIMITED

US Patent


Assay Description
HEK-293 cells overexpressing the channel of interest were seeded in a 96-well plate at a density of 30000 cells/well and incubated at 37 C./5% CO2 f...


US Patent US10239869 (2019)

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


(Homo sapiens (Human))
BDBM371729
PNG
(4-(2-(2-fluoroethyl)-4-(trifluoromethyl)phenyl)-N-...)
Show SMILES FCCc1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F
Show InChI InChI=1/C22H19F4N3O3S/c23-8-5-14-11-15(22(24,25)26)1-3-17(14)18-7-10-32-20-12-16(2-4-19(18)20)33(30,31)29-21-6-9-27-13-28-21/h1-4,6,9,11-13,18H,5,7-8,10H2,(H,27,28,29)/t18-/s2
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LUPIN LIMITED

US Patent


Assay Description
HEK-293 cells overexpressing the channel of interest were seeded in a 96-well plate at a density of 30000 cells/well and incubated at 37 C./5% CO2 f...


US Patent US10239869 (2019)

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


(Homo sapiens (Human))
BDBM371701
PNG
(4-(2-(2-methoxyethoxy)-4-(trifluoromethyl)phenyl)-...)
Show SMILES COCCOc1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F
Show InChI InChI=1/C23H22F3N3O5S/c1-32-10-11-34-20-12-15(23(24,25)26)2-4-18(20)17-7-9-33-21-13-16(3-5-19(17)21)35(30,31)29-22-6-8-27-14-28-22/h2-6,8,12-14,17H,7,9-11H2,1H3,(H,27,28,29)/t17-/s2
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LUPIN LIMITED

US Patent


Assay Description
HEK-293 cells overexpressing the channel of interest were seeded in a 96-well plate at a density of 30000 cells/well and incubated at 37 C./5% CO2 f...


US Patent US10239869 (2019)

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


(Homo sapiens (Human))
BDBM371637
PNG
((R)-N-(6-Fluoropyridin-2-yl)-4-(2-(2-methylthiazol...)
Show SMILES Cc1nc(cs1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1cccc(F)n1)C(F)(F)F
Show InChI InChI=1/C25H19F4N3O3S2/c1-14-30-21(13-36-14)20-11-15(25(27,28)29)5-7-17(20)18-9-10-35-22-12-16(6-8-19(18)22)37(33,34)32-24-4-2-3-23(26)31-24/h2-8,11-13,18H,9-10H2,1H3,(H,31,32)/t18-/s2
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n/an/a 5n/an/an/an/an/an/a



LUPIN LIMITED

US Patent


Assay Description
HEK-293 cells overexpressing the channel of interest were seeded in a 96-well plate at a density of 30000 cells/well and incubated at 37 C./5% CO2 f...


US Patent US10239869 (2019)

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


(Homo sapiens (Human))
BDBM371693
PNG
((R)-4-(2-morpholino-4-(trifluoromethyl)phenyl)-N-(...)
Show SMILES FC(F)(F)c1ccc([C@H]2CCOc3cc(ccc23)S(=O)(=O)Nc2ncccn2)c(c1)N1CCOCC1
Show InChI InChI=1S/C24H23F3N4O4S/c25-24(26,27)16-2-4-19(21(14-16)31-9-12-34-13-10-31)18-6-11-35-22-15-17(3-5-20(18)22)36(32,33)30-23-28-7-1-8-29-23/h1-5,7-8,14-15,18H,6,9-13H2,(H,28,29,30)/t18-/m1/s1
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LUPIN LIMITED

US Patent


Assay Description
HEK-293 cells overexpressing the channel of interest were seeded in a 96-well plate at a density of 30000 cells/well and incubated at 37 C./5% CO2 f...


US Patent US10239869 (2019)

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


(Homo sapiens (Human))
BDBM371739
PNG
(4-(2-(4-fluorobutyl)-4-(trifluoromethyl)phenyl)-N-...)
Show SMILES FCCCCc1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F
Show InChI InChI=1/C24H23F4N3O3S/c25-10-2-1-3-16-13-17(24(26,27)28)4-6-19(16)20-9-12-34-22-14-18(5-7-21(20)22)35(32,33)31-23-8-11-29-15-30-23/h4-8,11,13-15,20H,1-3,9-10,12H2,(H,29,30,31)/t20-/s2
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LUPIN LIMITED

US Patent


Assay Description
HEK-293 cells overexpressing the channel of interest were seeded in a 96-well plate at a density of 30000 cells/well and incubated at 37 C./5% CO2 f...


US Patent US10239869 (2019)

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


(Homo sapiens (Human))
BDBM371777
PNG
(N-(5-fluoropyrimidin-2-yl)-4-(2-(6-methylpyridin-3...)
Show SMILES Cc1ccc(cn1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncc(F)cn1)C(F)(F)F
Show InChI InChI=1/C26H20F4N4O3S/c1-15-2-3-16(12-31-15)23-10-17(26(28,29)30)4-6-20(23)21-8-9-37-24-11-19(5-7-22(21)24)38(35,36)34-25-32-13-18(27)14-33-25/h2-7,10-14,21H,8-9H2,1H3,(H,32,33,34)/t21-/s2
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n/an/a 6n/an/an/an/an/an/a



LUPIN LIMITED

US Patent


Assay Description
HEK-293 cells overexpressing the channel of interest were seeded in a 96-well plate at a density of 30000 cells/well and incubated at 37 C./5% CO2 f...


US Patent US10239869 (2019)

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


(Homo sapiens (Human))
BDBM371772
PNG
((R)-4-(2-(5-fluoropyridin-2-yl)-4-(trifluoromethyl...)
Show SMILES Fc1ccc(nc1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F
Show InChI InChI=1S/C25H18F4N4O3S/c26-16-2-6-22(31-13-16)21-11-15(25(27,28)29)1-4-18(21)19-8-10-36-23-12-17(3-5-20(19)23)37(34,35)33-24-7-9-30-14-32-24/h1-7,9,11-14,19H,8,10H2,(H,30,32,33)/t19-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



LUPIN LIMITED

US Patent


Assay Description
HEK-293 cells overexpressing the channel of interest were seeded in a 96-well plate at a density of 30000 cells/well and incubated at 37 C./5% CO2 f...


US Patent US10239869 (2019)

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


(Homo sapiens (Human))
BDBM371785
PNG
(4-(2-(3,3-difluoropropyl)-4-(trifluoromethyl)pheny...)
Show SMILES FC(F)CCc1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncccn1)C(F)(F)F
Show InChI InChI=1/C23H20F5N3O3S/c24-21(25)7-2-14-12-15(23(26,27)28)3-5-17(14)18-8-11-34-20-13-16(4-6-19(18)20)35(32,33)31-22-29-9-1-10-30-22/h1,3-6,9-10,12-13,18,21H,2,7-8,11H2,(H,29,30,31)/t18-/s2
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n/an/a 7n/an/an/an/an/an/a



LUPIN LIMITED

US Patent


Assay Description
HEK-293 cells overexpressing the channel of interest were seeded in a 96-well plate at a density of 30000 cells/well and incubated at 37 C./5% CO2 f...


US Patent US10239869 (2019)

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


(Homo sapiens (Human))
BDBM371641
PNG
((R)-N-(5-Fluoropyrimidin-2-yl)-4-(2-(2-methylthiaz...)
Show SMILES Cc1nc(cs1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncc(F)cn1)C(F)(F)F
Show InChI InChI=1S/C24H18F4N4O3S2/c1-13-31-21(12-36-13)20-8-14(24(26,27)28)2-4-17(20)18-6-7-35-22-9-16(3-5-19(18)22)37(33,34)32-23-29-10-15(25)11-30-23/h2-5,8-12,18H,6-7H2,1H3,(H,29,30,32)/t18-/m1/s1
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LUPIN LIMITED

US Patent


Assay Description
HEK-293 cells overexpressing the channel of interest were seeded in a 96-well plate at a density of 30000 cells/well and incubated at 37 C./5% CO2 f...


US Patent US10239869 (2019)

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


(Homo sapiens (Human))
BDBM371766
PNG
(2'-(7-(N-(6-fluoropyridin-2-yl)sulfamoyl)chroman-4...)
Show SMILES OC(=O)c1ccc(cc1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1cccc(F)n1)C(F)(F)F
Show InChI InChI=1/C28H20F4N2O5S/c29-25-2-1-3-26(33-25)34-40(37,38)19-9-11-22-21(12-13-39-24(22)15-19)20-10-8-18(28(30,31)32)14-23(20)16-4-6-17(7-5-16)27(35)36/h1-11,14-15,21H,12-13H2,(H,33,34)(H,35,36)/t21-/s2
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LUPIN LIMITED

US Patent


Assay Description
HEK-293 cells overexpressing the channel of interest were seeded in a 96-well plate at a density of 30000 cells/well and incubated at 37 C./5% CO2 f...


US Patent US10239869 (2019)

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


(Homo sapiens (Human))
BDBM371778
PNG
(4-(2-(6-methylpyridin-3-yl)-4-(trifluoromethyl)phe...)
Show SMILES Cc1ccc(cn1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F
Show InChI InChI=1/C26H21F3N4O3S/c1-16-2-3-17(14-31-16)23-12-18(26(27,28)29)4-6-20(23)21-9-11-36-24-13-19(5-7-22(21)24)37(34,35)33-25-8-10-30-15-32-25/h2-8,10,12-15,21H,9,11H2,1H3,(H,30,32,33)/t21-/s2
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LUPIN LIMITED

US Patent


Assay Description
HEK-293 cells overexpressing the channel of interest were seeded in a 96-well plate at a density of 30000 cells/well and incubated at 37 C./5% CO2 f...


US Patent US10239869 (2019)

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


(Homo sapiens (Human))
BDBM371670
PNG
(N-(6-fluoropyridin-2-yl)-4-(2-(thiazol-2-yl)-4-(tr...)
Show SMILES Fc1cccc(NS(=O)(=O)c2ccc3[C@H](CCOc3c2)c2ccc(cc2-c2nccs2)C(F)(F)F)n1
Show InChI InChI=1/C24H17F4N3O3S2/c25-21-2-1-3-22(30-21)31-36(32,33)15-5-7-18-17(8-10-34-20(18)13-15)16-6-4-14(24(26,27)28)12-19(16)23-29-9-11-35-23/h1-7,9,11-13,17H,8,10H2,(H,30,31)/t17-/s2
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LUPIN LIMITED

US Patent


Assay Description
HEK-293 cells overexpressing the channel of interest were seeded in a 96-well plate at a density of 30000 cells/well and incubated at 37 C./5% CO2 f...


US Patent US10239869 (2019)

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


(Homo sapiens (Human))
BDBM371779
PNG
(4-(2-(6-methylpyridin-3-yl)-4-(trifluoromethyl)phe...)
Show SMILES Cc1ccc(cn1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1cccnn1)C(F)(F)F
Show InChI InChI=1/C26H21F3N4O3S/c1-16-4-5-17(15-30-16)23-13-18(26(27,28)29)6-8-20(23)21-10-12-36-24-14-19(7-9-22(21)24)37(34,35)33-25-3-2-11-31-32-25/h2-9,11,13-15,21H,10,12H2,1H3,(H,32,33)/t21-/s2
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LUPIN LIMITED

US Patent


Assay Description
HEK-293 cells overexpressing the channel of interest were seeded in a 96-well plate at a density of 30000 cells/well and incubated at 37 C./5% CO2 f...


US Patent US10239869 (2019)

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


(Homo sapiens (Human))
BDBM371733
PNG
(4-(2-(3-fluoropropyl)-4-(trifluoromethyl)phenyl)-N...)
Show SMILES FCCCc1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncc(F)cn1)C(F)(F)F
Show InChI InChI=1/C23H20F5N3O3S/c24-8-1-2-14-10-15(23(26,27)28)3-5-18(14)19-7-9-34-21-11-17(4-6-20(19)21)35(32,33)31-22-29-12-16(25)13-30-22/h3-6,10-13,19H,1-2,7-9H2,(H,29,30,31)/t19-/s2
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LUPIN LIMITED

US Patent


Assay Description
HEK-293 cells overexpressing the channel of interest were seeded in a 96-well plate at a density of 30000 cells/well and incubated at 37 C./5% CO2 f...


US Patent US10239869 (2019)

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


(Homo sapiens (Human))
BDBM371677
PNG
(4-(2-(6-ethoxypyridin-3-yl)-4-(trifluoromethyl)phe...)
Show SMILES CCOc1ccc(cn1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncccn1)C(F)(F)F
Show InChI InChI=1/C27H23F3N4O4S/c1-2-37-25-9-4-17(16-33-25)23-14-18(27(28,29)30)5-7-20(23)21-10-13-38-24-15-19(6-8-22(21)24)39(35,36)34-26-31-11-3-12-32-26/h3-9,11-12,14-16,21H,2,10,13H2,1H3,(H,31,32,34)/t21-/s2
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n/an/a 10n/an/an/an/an/an/a



LUPIN LIMITED

US Patent


Assay Description
HEK-293 cells overexpressing the channel of interest were seeded in a 96-well plate at a density of 30000 cells/well and incubated at 37 C./5% CO2 f...


US Patent US10239869 (2019)

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


(Homo sapiens (Human))
BDBM371669
PNG
(N-(pyridazin-3-yl)-4-(2-(thiazol-2-yl)-4-(trifluor...)
Show SMILES FC(F)(F)c1ccc([C@H]2CCOc3cc(ccc23)S(=O)(=O)Nc2cccnn2)c(c1)-c1nccs1
Show InChI InChI=1/C23H17F3N4O3S2/c24-23(25,26)14-3-5-16(19(12-14)22-27-9-11-34-22)17-7-10-33-20-13-15(4-6-18(17)20)35(31,32)30-21-2-1-8-28-29-21/h1-6,8-9,11-13,17H,7,10H2,(H,29,30)/t17-/s2
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n/an/a 11n/an/an/an/an/an/a



LUPIN LIMITED

US Patent


Assay Description
HEK-293 cells overexpressing the channel of interest were seeded in a 96-well plate at a density of 30000 cells/well and incubated at 37 C./5% CO2 f...


US Patent US10239869 (2019)

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


(Homo sapiens (Human))
BDBM371751
PNG
((S)-N-(6-fluoropyridin-2-yl)-4-(2-((tetrahydro-2H-...)
Show SMILES Fc1cccc(NS(=O)(=O)c2ccc3[C@H](CCOc3c2)c2ccc(cc2OC2CCOCC2)C(F)(F)F)n1
Show InChI InChI=1S/C26H24F4N2O5S/c27-24-2-1-3-25(31-24)32-38(33,34)18-5-7-20-19(10-13-36-22(20)15-18)21-6-4-16(26(28,29)30)14-23(21)37-17-8-11-35-12-9-17/h1-7,14-15,17,19H,8-13H2,(H,31,32)/t19-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



LUPIN LIMITED

US Patent


Assay Description
HEK-293 cells overexpressing the channel of interest were seeded in a 96-well plate at a density of 30000 cells/well and incubated at 37 C./5% CO2 f...


US Patent US10239869 (2019)

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


(Homo sapiens (Human))
BDBM371672
PNG
((R)-4-(2-(6-isopropoxypyridin-3-yl)-4-(trifluorome...)
Show SMILES CC(C)Oc1ccc(cn1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncccn1)C(F)(F)F
Show InChI InChI=1S/C28H25F3N4O4S/c1-17(2)39-26-9-4-18(16-34-26)24-14-19(28(29,30)31)5-7-21(24)22-10-13-38-25-15-20(6-8-23(22)25)40(36,37)35-27-32-11-3-12-33-27/h3-9,11-12,14-17,22H,10,13H2,1-2H3,(H,32,33,35)/t22-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



LUPIN LIMITED

US Patent


Assay Description
HEK-293 cells overexpressing the channel of interest were seeded in a 96-well plate at a density of 30000 cells/well and incubated at 37 C./5% CO2 f...


US Patent US10239869 (2019)

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


(Homo sapiens (Human))
BDBM371666
PNG
((R)-N-(5-fluoropyrimidin-2-yl)-4-(2-(thiazol-2-yl)...)
Show SMILES Fc1cnc(NS(=O)(=O)c2ccc3[C@H](CCOc3c2)c2ccc(cc2-c2nccs2)C(F)(F)F)nc1
Show InChI InChI=1S/C23H16F4N4O3S2/c24-14-11-29-22(30-12-14)31-36(32,33)15-2-4-18-17(5-7-34-20(18)10-15)16-3-1-13(23(25,26)27)9-19(16)21-28-6-8-35-21/h1-4,6,8-12,17H,5,7H2,(H,29,30,31)/t17-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



LUPIN LIMITED

US Patent


Assay Description
HEK-293 cells overexpressing the channel of interest were seeded in a 96-well plate at a density of 30000 cells/well and incubated at 37 C./5% CO2 f...


US Patent US10239869 (2019)

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


(Homo sapiens (Human))
BDBM371694
PNG
(N-(5-fluoropyrimidin-2-yl)-4-(2-morpholino-4-(trif...)
Show SMILES Fc1cnc(NS(=O)(=O)c2ccc3[C@H](CCOc3c2)c2ccc(cc2N2CCOCC2)C(F)(F)F)nc1
Show InChI InChI=1/C24H22F4N4O4S/c25-16-13-29-23(30-14-16)31-37(33,34)17-2-4-20-18(5-8-36-22(20)12-17)19-3-1-15(24(26,27)28)11-21(19)32-6-9-35-10-7-32/h1-4,11-14,18H,5-10H2,(H,29,30,31)/t18-/s2
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n/an/a 11n/an/an/an/an/an/a



LUPIN LIMITED

US Patent


Assay Description
HEK-293 cells overexpressing the channel of interest were seeded in a 96-well plate at a density of 30000 cells/well and incubated at 37 C./5% CO2 f...


US Patent US10239869 (2019)

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


(Homo sapiens (Human))
BDBM371757
PNG
(N-(pyrimidin-4-yl)-4-(2-(((S)-tetrahydrofuran-3-yl...)
Show SMILES FC(F)(F)c1ccc([C@H]2CCOc3cc(ccc23)S(=O)(=O)Nc2ccncn2)c(O[C@H]2CCOC2)c1
Show InChI InChI=1/C24H22F3N3O5S/c25-24(26,27)15-1-3-20(22(11-15)35-16-6-9-33-13-16)18-7-10-34-21-12-17(2-4-19(18)21)36(31,32)30-23-5-8-28-14-29-23/h1-5,8,11-12,14,16,18H,6-7,9-10,13H2,(H,28,29,30)/t16-,18-/s2
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n/an/a 11n/an/an/an/an/an/a



LUPIN LIMITED

US Patent


Assay Description
HEK-293 cells overexpressing the channel of interest were seeded in a 96-well plate at a density of 30000 cells/well and incubated at 37 C./5% CO2 f...


US Patent US10239869 (2019)

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


(Homo sapiens (Human))
BDBM371612
PNG
((R)-4-(2-(6-Fluoropyridin-3-yl)-4-(trifluoromethyl...)
Show SMILES Fc1ccc(cn1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncccn1)C(F)(F)F
Show InChI InChI=1S/C25H18F4N4O3S/c26-23-7-2-15(14-32-23)21-12-16(25(27,28)29)3-5-18(21)19-8-11-36-22-13-17(4-6-20(19)22)37(34,35)33-24-30-9-1-10-31-24/h1-7,9-10,12-14,19H,8,11H2,(H,30,31,33)/t19-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



LUPIN LIMITED

US Patent


Assay Description
HEK-293 cells overexpressing the channel of interest were seeded in a 96-well plate at a density of 30000 cells/well and incubated at 37 C./5% CO2 f...


US Patent US10239869 (2019)

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


(Homo sapiens (Human))
BDBM371747
PNG
((S)-N-(pyrimidin-4-yl)-4-(2-((tetrahydro-2H-pyran-...)
Show SMILES FC(F)(F)c1ccc([C@H]2CCOc3cc(ccc23)S(=O)(=O)Nc2ccncn2)c(OC2CCOCC2)c1
Show InChI InChI=1S/C25H24F3N3O5S/c26-25(27,28)16-1-3-21(23(13-16)36-17-6-10-34-11-7-17)19-8-12-35-22-14-18(2-4-20(19)22)37(32,33)31-24-5-9-29-15-30-24/h1-5,9,13-15,17,19H,6-8,10-12H2,(H,29,30,31)/t19-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



LUPIN LIMITED

US Patent


Assay Description
HEK-293 cells overexpressing the channel of interest were seeded in a 96-well plate at a density of 30000 cells/well and incubated at 37 C./5% CO2 f...


US Patent US10239869 (2019)

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


(Homo sapiens (Human))
BDBM371799
PNG
(4-(2-(5-fluoro-6-methylpyridin-2-yl)-4-(trifluorom...)
Show SMILES Cc1nc(ccc1F)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1cccc(F)n1)C(F)(F)F
Show InChI InChI=1/C27H20F5N3O3S/c1-15-22(28)9-10-23(33-15)21-13-16(27(30,31)32)5-7-18(21)19-11-12-38-24-14-17(6-8-20(19)24)39(36,37)35-26-4-2-3-25(29)34-26/h2-10,13-14,19H,11-12H2,1H3,(H,34,35)/t19-/s2
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n/an/a 12n/an/an/an/an/an/a



LUPIN LIMITED

US Patent


Assay Description
HEK-293 cells overexpressing the channel of interest were seeded in a 96-well plate at a density of 30000 cells/well and incubated at 37 C./5% CO2 f...


US Patent US10239869 (2019)

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


(Homo sapiens (Human))
BDBM371735
PNG
(4-(2-(3-fluoropropyl)-4-(trifluoromethyl)phenyl)-N...)
Show SMILES FCCCc1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1cccnn1)C(F)(F)F
Show InChI InChI=1/C23H21F4N3O3S/c24-10-1-3-15-13-16(23(25,26)27)5-7-18(15)19-9-12-33-21-14-17(6-8-20(19)21)34(31,32)30-22-4-2-11-28-29-22/h2,4-8,11,13-14,19H,1,3,9-10,12H2,(H,29,30)/t19-/s2
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n/an/a 12n/an/an/an/an/an/a



LUPIN LIMITED

US Patent


Assay Description
HEK-293 cells overexpressing the channel of interest were seeded in a 96-well plate at a density of 30000 cells/well and incubated at 37 C./5% CO2 f...


US Patent US10239869 (2019)

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


(Homo sapiens (Human))
BDBM371711
PNG
(N-(6-fluoropyridin-2-yl)-4-(2-(2-methoxyethyl)-4-(...)
Show SMILES COCCc1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1cccc(F)n1)C(F)(F)F
Show InChI InChI=1/C24H22F4N2O4S/c1-33-11-9-15-13-16(24(26,27)28)5-7-18(15)19-10-12-34-21-14-17(6-8-20(19)21)35(31,32)30-23-4-2-3-22(25)29-23/h2-8,13-14,19H,9-12H2,1H3,(H,29,30)/t19-/s2
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n/an/a 12n/an/an/an/an/an/a



LUPIN LIMITED

US Patent


Assay Description
HEK-293 cells overexpressing the channel of interest were seeded in a 96-well plate at a density of 30000 cells/well and incubated at 37 C./5% CO2 f...


US Patent US10239869 (2019)

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