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Patent code US10214509

Compile Data Set for Download or QSAR
Found 35 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))		BDBM357011
PNG
(5-Amino-1-(3-fluoro-2-methylphenyl)-N-(5-(trifluor...)
Show SMILES Cc1c(F)cccc1-n1cnc(C(=O)Nc2ccc(cn2)C(F)(F)F)c1N
Show InChI InChI=1S/C17H13F4N5O/c1-9-11(18)3-2-4-12(9)26-8-24-14(15(26)22)16(27)25-13-6-5-10(7-23-13)17(19,20)21/h2-8H,22H2,1H3,(H,23,25,27)
PDB

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UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/a 200n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
Cell LinesStable cell lines expressing the full-length protein of the voltage-gated sodium channels Nav1.7 or Nav1.5, with or without one beta-1, bet...

US Patent US10214509 (2019)

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


(Homo sapiens (Human))		BDBM357006
PNG
(5-Amino-3-ethyl-1-(3-fluoro-2-methylphenyl)-N-[5-t...)
Show SMILES CCc1nn(c(N)c1C(=O)Nc1ccc(cn1)C(F)(F)F)-c1cccc(F)c1C
Show InChI InChI=1S/C19H17F4N5O/c1-3-13-16(17(24)28(27-13)14-6-4-5-12(20)10(14)2)18(29)26-15-8-7-11(9-25-15)19(21,22)23/h4-9H,3,24H2,1-2H3,(H,25,26,29)
PDB

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US Patent
n/an/a 300n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
Cell LinesStable cell lines expressing the full-length protein of the voltage-gated sodium channels Nav1.7 or Nav1.5, with or without one beta-1, bet...

US Patent US10214509 (2019)

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


(Homo sapiens (Human))		BDBM356996
PNG
(5-Amino-N-(4-chloro-2-fluoro-phenyl)-1-(o-tolyl)-1...)
Show SMILES Cc1ccccc1-n1ncc(C(=O)Nc2ccc(Cl)cc2F)c1N
Show InChI InChI=1S/C17H14ClFN4O/c1-10-4-2-3-5-15(10)23-16(20)12(9-21-23)17(24)22-14-7-6-11(18)8-13(14)19/h2-9H,20H2,1H3,(H,22,24)
PDB

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UniProtKB/SwissProt

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n/an/a 300n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
Cell LinesStable cell lines expressing the full-length protein of the voltage-gated sodium channels Nav1.7 or Nav1.5, with or without one beta-1, bet...

US Patent US10214509 (2019)

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


(Homo sapiens (Human))		BDBM357010
PNG
(5-Amino-1-(2-hydroxyphenyl)-N-(5-(trifluoromethyl)...)
Show SMILES Nc1c(cnn1-c1ccccc1O)C(=O)Nc1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C16H12F3N5O2/c17-16(18,19)9-5-6-13(21-7-9)23-15(26)10-8-22-24(14(10)20)11-3-1-2-4-12(11)25/h1-8,25H,20H2,(H,21,23,26)
PDB

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n/an/a 300n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
Cell LinesStable cell lines expressing the full-length protein of the voltage-gated sodium channels Nav1.7 or Nav1.5, with or without one beta-1, bet...

US Patent US10214509 (2019)

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


(Homo sapiens (Human))		BDBM357002
PNG
(5-Amino-3-ethyl-1-(2-methoxyphenyl)-N-(5-(trifluor...)
Show SMILES CCc1nn(c(N)c1C(=O)Nc1ccc(cn1)C(F)(F)F)-c1ccccc1OC
Show InChI InChI=1S/C19H18F3N5O2/c1-3-12-16(17(23)27(26-12)13-6-4-5-7-14(13)29-2)18(28)25-15-9-8-11(10-24-15)19(20,21)22/h4-10H,3,23H2,1-2H3,(H,24,25,28)
PDB

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n/an/a 400n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
Cell LinesStable cell lines expressing the full-length protein of the voltage-gated sodium channels Nav1.7 or Nav1.5, with or without one beta-1, bet...

US Patent US10214509 (2019)

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


(Homo sapiens (Human))		BDBM357007
PNG
(5-Amino-1-(2-fluorophenyl)-3-methyl-N-(5-(trifluor...)
Show SMILES Cc1nn(c(N)c1C(=O)Nc1ccc(cn1)C(F)(F)F)-c1ccccc1F
Show InChI InChI=1S/C17H13F4N5O/c1-9-14(15(22)26(25-9)12-5-3-2-4-11(12)18)16(27)24-13-7-6-10(8-23-13)17(19,20)21/h2-8H,22H2,1H3,(H,23,24,27)
PDB

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n/an/a 400n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
Cell LinesStable cell lines expressing the full-length protein of the voltage-gated sodium channels Nav1.7 or Nav1.5, with or without one beta-1, bet...

US Patent US10214509 (2019)

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


(Homo sapiens (Human))		BDBM356998
PNG
(5-Amino-1-(3-fluoro-2-methylphenyl)-N-(5-(trifluor...)
Show SMILES Cc1c(F)cccc1-n1ncc(C(=O)Nc2ccc(OC(F)(F)F)cn2)c1N
Show InChI InChI=1S/C17H13F4N5O2/c1-9-12(18)3-2-4-13(9)26-15(22)11(8-24-26)16(27)25-14-6-5-10(7-23-14)28-17(19,20)21/h2-8H,22H2,1H3,(H,23,25,27)
PDB

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n/an/a 500n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
Cell LinesStable cell lines expressing the full-length protein of the voltage-gated sodium channels Nav1.7 or Nav1.5, with or without one beta-1, bet...

US Patent US10214509 (2019)

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


(Homo sapiens (Human))		BDBM357004
PNG
(5-Amino-N-(5-chloro-2-pyridyl)-1-(3-fluoro-2-methy...)
Show SMILES Cc1nn(c(N)c1C(=O)Nc1ccc(Cl)cn1)-c1cccc(F)c1C
Show InChI InChI=1S/C17H15ClFN5O/c1-9-12(19)4-3-5-13(9)24-16(20)15(10(2)23-24)17(25)22-14-7-6-11(18)8-21-14/h3-8H,20H2,1-2H3,(H,21,22,25)
PDB

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n/an/a 600n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
Cell LinesStable cell lines expressing the full-length protein of the voltage-gated sodium channels Nav1.7 or Nav1.5, with or without one beta-1, bet...

US Patent US10214509 (2019)

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


(Homo sapiens (Human))		BDBM356995
PNG
(5-Amino-N-(4-chlorophenyl)-1-(2-methoxyphenyl)-1H-...)
Show SMILES COc1ccccc1-n1ncc(C(=O)Nc2ccc(Cl)cc2)c1N
Show InChI InChI=1S/C17H15ClN4O2/c1-24-15-5-3-2-4-14(15)22-16(19)13(10-20-22)17(23)21-12-8-6-11(18)7-9-12/h2-10H,19H2,1H3,(H,21,23)
PDB

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n/an/a 700n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
Cell LinesStable cell lines expressing the full-length protein of the voltage-gated sodium channels Nav1.7 or Nav1.5, with or without one beta-1, bet...

US Patent US10214509 (2019)

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


(Homo sapiens (Human))		BDBM357003
PNG
(5-Amino-1-(2-(2-methoxyethoxy)phenyl)-3-methyl-N-(...)
Show SMILES COCCOc1ccccc1-n1nc(C)c(C(=O)Nc2ccc(cc2C)C(F)(F)F)c1N
Show InChI InChI=1S/C22H23F3N4O3/c1-13-12-15(22(23,24)25)8-9-16(13)27-21(30)19-14(2)28-29(20(19)26)17-6-4-5-7-18(17)32-11-10-31-3/h4-9,12H,10-11,26H2,1-3H3,(H,27,30)
PDB

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n/an/a 700n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
Cell LinesStable cell lines expressing the full-length protein of the voltage-gated sodium channels Nav1.7 or Nav1.5, with or without one beta-1, bet...

US Patent US10214509 (2019)

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


(Homo sapiens (Human))		BDBM357008
PNG
(5-Amino-N-(5-chloropyridin-2-yl)-1-(2-(pyridin-3-y...)
Show SMILES Nc1c(cnn1-c1ccccc1-c1cccnc1)C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C20H15ClN6O/c21-14-7-8-18(24-11-14)26-20(28)16-12-25-27(19(16)22)17-6-2-1-5-15(17)13-4-3-9-23-10-13/h1-12H,22H2,(H,24,26,28)
PDB

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n/an/a 700n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
Cell LinesStable cell lines expressing the full-length protein of the voltage-gated sodium channels Nav1.7 or Nav1.5, with or without one beta-1, bet...

US Patent US10214509 (2019)

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


(Homo sapiens (Human))		BDBM356997
PNG
(5-Amino-N-(2-fluoro-4-(trifluoromethyl)phenyl)-1-(...)
Show SMILES COCCOc1ccccc1-n1nc(C)c(C(=O)Nc2ccc(cc2F)C(F)(F)F)c1N
Show InChI InChI=1S/C21H20F4N4O3/c1-12-18(20(30)27-15-8-7-13(11-14(15)22)21(23,24)25)19(26)29(28-12)16-5-3-4-6-17(16)32-10-9-31-2/h3-8,11H,9-10,26H2,1-2H3,(H,27,30)
PDB

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n/an/a 700n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
Cell LinesStable cell lines expressing the full-length protein of the voltage-gated sodium channels Nav1.7 or Nav1.5, with or without one beta-1, bet...

US Patent US10214509 (2019)

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


(Homo sapiens (Human))		BDBM357001
PNG
(5-Amino-N-(5-chloropyridin-2-yl)-1-(3-fluoro-2-met...)
Show SMILES Cc1c(F)cccc1-n1nnc(C(=O)Nc2ccc(Cl)cn2)c1N
Show InChI InChI=1S/C15H12ClFN6O/c1-8-10(17)3-2-4-11(8)23-14(18)13(21-22-23)15(24)20-12-6-5-9(16)7-19-12/h2-7H,18H2,1H3,(H,19,20,24)
PDB

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n/an/a 800n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
Cell LinesStable cell lines expressing the full-length protein of the voltage-gated sodium channels Nav1.7 or Nav1.5, with or without one beta-1, bet...

US Patent US10214509 (2019)

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


(Homo sapiens (Human))		BDBM356999
PNG
((5-Amino-1-(3-fluoro-2-methylphenyl)-1H-pyrazol-4-...)
Show SMILES Cc1c(F)cccc1-n1ncc(C(=O)N2CCc3cc(Cl)ccc23)c1N
Show InChI InChI=1S/C19H16ClFN4O/c1-11-15(21)3-2-4-16(11)25-18(22)14(10-23-25)19(26)24-8-7-12-9-13(20)5-6-17(12)24/h2-6,9-10H,7-8,22H2,1H3
PDB

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n/an/a 800n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
Cell LinesStable cell lines expressing the full-length protein of the voltage-gated sodium channels Nav1.7 or Nav1.5, with or without one beta-1, bet...

US Patent US10214509 (2019)

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


(Homo sapiens (Human))		BDBM357000
PNG
((5-Amino-1-(2-methoxyphenyl)-1H-pyrazol-4-yl)(5-ch...)
Show SMILES COc1ccccc1-n1ncc(C(=O)N2CCc3cc(Cl)ccc23)c1N
Show InChI InChI=1S/C19H17ClN4O2/c1-26-17-5-3-2-4-16(17)24-18(21)14(11-22-24)19(25)23-9-8-12-10-13(20)6-7-15(12)23/h2-7,10-11H,8-9,21H2,1H3
PDB

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n/an/a 900n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
Cell LinesStable cell lines expressing the full-length protein of the voltage-gated sodium channels Nav1.7 or Nav1.5, with or without one beta-1, bet...

US Patent US10214509 (2019)

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


(Homo sapiens (Human))		BDBM357005
PNG
(5-Amino-1-(2-ethylphenyl)-N-(5-(2,2,2-trifluoroeth...)
Show SMILES CCc1ccccc1-n1ncc(C(=O)Nc2ccc(OCC(F)(F)F)cn2)c1N
Show InChI InChI=1S/C19H18F3N5O2/c1-2-12-5-3-4-6-15(12)27-17(23)14(10-25-27)18(28)26-16-8-7-13(9-24-16)29-11-19(20,21)22/h3-10H,2,11,23H2,1H3,(H,24,26,28)
PDB

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n/an/a 1.00E+3n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
Cell LinesStable cell lines expressing the full-length protein of the voltage-gated sodium channels Nav1.7 or Nav1.5, with or without one beta-1, bet...

US Patent US10214509 (2019)

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


(Homo sapiens (Human))		BDBM357009
PNG
(5-Amino-N-(5-chloropyridin-2-yl)-1-(2-(2-methoxypy...)
Show SMILES COc1cc(ccn1)-c1ccccc1-n1ncc(C(=O)Nc2ccc(Cl)cn2)c1N
Show InChI InChI=1S/C21H17ClN6O2/c1-30-19-10-13(8-9-24-19)15-4-2-3-5-17(15)28-20(23)16(12-26-28)21(29)27-18-7-6-14(22)11-25-18/h2-12H,23H2,1H3,(H,25,27,29)
PDB

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n/an/a 1.00E+3n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
Cell LinesStable cell lines expressing the full-length protein of the voltage-gated sodium channels Nav1.7 or Nav1.5, with or without one beta-1, bet...

US Patent US10214509 (2019)

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


(Homo sapiens (Human))		BDBM357012
PNG
(5-Amino-N-(4-chlorophenyl)-1-(2-methoxyphenyl)-1H-...)
Show SMILES COc1ccccc1-n1cnc(C(=O)Nc2ccc(Cl)cc2)c1N
Show InChI InChI=1S/C17H15ClN4O2/c1-24-14-5-3-2-4-13(14)22-10-20-15(16(22)19)17(23)21-12-8-6-11(18)7-9-12/h2-10H,19H2,1H3,(H,21,23)
PDB

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n/an/a 1.90E+3n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
Cell LinesStable cell lines expressing the full-length protein of the voltage-gated sodium channels Nav1.7 or Nav1.5, with or without one beta-1, bet...

US Patent US10214509 (2019)

More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))		BDBM357006
PNG
(5-Amino-3-ethyl-1-(3-fluoro-2-methylphenyl)-N-[5-t...)
Show SMILES CCc1nn(c(N)c1C(=O)Nc1ccc(cn1)C(F)(F)F)-c1cccc(F)c1C
Show InChI InChI=1S/C19H17F4N5O/c1-3-13-16(17(24)28(27-13)14-6-4-5-12(20)10(14)2)18(29)26-15-8-7-11(9-25-15)19(21,22)23/h4-9H,3,24H2,1-2H3,(H,25,26,29)
PDB

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n/an/a 1.00E+4n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
Cell LinesStable cell lines expressing the full-length protein of the voltage-gated sodium channels Nav1.7 or Nav1.5, with or without one beta-1, bet...

US Patent US10214509 (2019)

More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))		BDBM357008
PNG
(5-Amino-N-(5-chloropyridin-2-yl)-1-(2-(pyridin-3-y...)
Show SMILES Nc1c(cnn1-c1ccccc1-c1cccnc1)C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C20H15ClN6O/c21-14-7-8-18(24-11-14)26-20(28)16-12-25-27(19(16)22)17-6-2-1-5-15(17)13-4-3-9-23-10-13/h1-12H,22H2,(H,24,26,28)
PDB

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n/an/a 1.70E+4n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
Cell LinesStable cell lines expressing the full-length protein of the voltage-gated sodium channels Nav1.7 or Nav1.5, with or without one beta-1, bet...

US Patent US10214509 (2019)

More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))		BDBM356995
PNG
(5-Amino-N-(4-chlorophenyl)-1-(2-methoxyphenyl)-1H-...)
Show SMILES COc1ccccc1-n1ncc(C(=O)Nc2ccc(Cl)cc2)c1N
Show InChI InChI=1S/C17H15ClN4O2/c1-24-15-5-3-2-4-14(15)22-16(19)13(10-20-22)17(23)21-12-8-6-11(18)7-9-12/h2-10H,19H2,1H3,(H,21,23)
PDB

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n/an/a 2.10E+4n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
Cell LinesStable cell lines expressing the full-length protein of the voltage-gated sodium channels Nav1.7 or Nav1.5, with or without one beta-1, bet...

US Patent US10214509 (2019)

More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))		BDBM357000
PNG
((5-Amino-1-(2-methoxyphenyl)-1H-pyrazol-4-yl)(5-ch...)
Show SMILES COc1ccccc1-n1ncc(C(=O)N2CCc3cc(Cl)ccc23)c1N
Show InChI InChI=1S/C19H17ClN4O2/c1-26-17-5-3-2-4-16(17)24-18(21)14(11-22-24)19(25)23-9-8-12-10-13(20)6-7-15(12)23/h2-7,10-11H,8-9,21H2,1H3
PDB

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n/an/a 2.80E+4n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
Cell LinesStable cell lines expressing the full-length protein of the voltage-gated sodium channels Nav1.7 or Nav1.5, with or without one beta-1, bet...

US Patent US10214509 (2019)

More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))		BDBM357005
PNG
(5-Amino-1-(2-ethylphenyl)-N-(5-(2,2,2-trifluoroeth...)
Show SMILES CCc1ccccc1-n1ncc(C(=O)Nc2ccc(OCC(F)(F)F)cn2)c1N
Show InChI InChI=1S/C19H18F3N5O2/c1-2-12-5-3-4-6-15(12)27-17(23)14(10-25-27)18(28)26-16-8-7-13(9-24-16)29-11-19(20,21)22/h3-10H,2,11,23H2,1H3,(H,24,26,28)
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n/an/a>3.30E+4n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
Cell LinesStable cell lines expressing the full-length protein of the voltage-gated sodium channels Nav1.7 or Nav1.5, with or without one beta-1, bet...

US Patent US10214509 (2019)

More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))		BDBM356999
PNG
((5-Amino-1-(3-fluoro-2-methylphenyl)-1H-pyrazol-4-...)
Show SMILES Cc1c(F)cccc1-n1ncc(C(=O)N2CCc3cc(Cl)ccc23)c1N
Show InChI InChI=1S/C19H16ClFN4O/c1-11-15(21)3-2-4-16(11)25-18(22)14(10-23-25)19(26)24-8-7-12-9-13(20)5-6-17(12)24/h2-6,9-10H,7-8,22H2,1H3
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n/an/a>3.30E+4n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
Cell LinesStable cell lines expressing the full-length protein of the voltage-gated sodium channels Nav1.7 or Nav1.5, with or without one beta-1, bet...

US Patent US10214509 (2019)

More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))		BDBM356996
PNG
(5-Amino-N-(4-chloro-2-fluoro-phenyl)-1-(o-tolyl)-1...)
Show SMILES Cc1ccccc1-n1ncc(C(=O)Nc2ccc(Cl)cc2F)c1N
Show InChI InChI=1S/C17H14ClFN4O/c1-10-4-2-3-5-15(10)23-16(20)12(9-21-23)17(24)22-14-7-6-11(18)8-13(14)19/h2-9H,20H2,1H3,(H,22,24)
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n/an/a>3.30E+4n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
Cell LinesStable cell lines expressing the full-length protein of the voltage-gated sodium channels Nav1.7 or Nav1.5, with or without one beta-1, bet...

US Patent US10214509 (2019)

More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))		BDBM357012
PNG
(5-Amino-N-(4-chlorophenyl)-1-(2-methoxyphenyl)-1H-...)
Show SMILES COc1ccccc1-n1cnc(C(=O)Nc2ccc(Cl)cc2)c1N
Show InChI InChI=1S/C17H15ClN4O2/c1-24-14-5-3-2-4-13(14)22-10-20-15(16(22)19)17(23)21-12-8-6-11(18)7-9-12/h2-10H,19H2,1H3,(H,21,23)
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n/an/a>3.30E+4n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
Cell LinesStable cell lines expressing the full-length protein of the voltage-gated sodium channels Nav1.7 or Nav1.5, with or without one beta-1, bet...

US Patent US10214509 (2019)

More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))		BDBM357010
PNG
(5-Amino-1-(2-hydroxyphenyl)-N-(5-(trifluoromethyl)...)
Show SMILES Nc1c(cnn1-c1ccccc1O)C(=O)Nc1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C16H12F3N5O2/c17-16(18,19)9-5-6-13(21-7-9)23-15(26)10-8-22-24(14(10)20)11-3-1-2-4-12(11)25/h1-8,25H,20H2,(H,21,23,26)
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n/an/a>3.30E+4n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
Cell LinesStable cell lines expressing the full-length protein of the voltage-gated sodium channels Nav1.7 or Nav1.5, with or without one beta-1, bet...

US Patent US10214509 (2019)

More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))		BDBM357003
PNG
(5-Amino-1-(2-(2-methoxyethoxy)phenyl)-3-methyl-N-(...)
Show SMILES COCCOc1ccccc1-n1nc(C)c(C(=O)Nc2ccc(cc2C)C(F)(F)F)c1N
Show InChI InChI=1S/C22H23F3N4O3/c1-13-12-15(22(23,24)25)8-9-16(13)27-21(30)19-14(2)28-29(20(19)26)17-6-4-5-7-18(17)32-11-10-31-3/h4-9,12H,10-11,26H2,1-3H3,(H,27,30)
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n/an/a>3.30E+4n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
Cell LinesStable cell lines expressing the full-length protein of the voltage-gated sodium channels Nav1.7 or Nav1.5, with or without one beta-1, bet...

US Patent US10214509 (2019)

More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))		BDBM357002
PNG
(5-Amino-3-ethyl-1-(2-methoxyphenyl)-N-(5-(trifluor...)
Show SMILES CCc1nn(c(N)c1C(=O)Nc1ccc(cn1)C(F)(F)F)-c1ccccc1OC
Show InChI InChI=1S/C19H18F3N5O2/c1-3-12-16(17(23)27(26-12)13-6-4-5-7-14(13)29-2)18(28)25-15-9-8-11(10-24-15)19(20,21)22/h4-10H,3,23H2,1-2H3,(H,24,25,28)
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n/an/a>3.30E+4n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
Cell LinesStable cell lines expressing the full-length protein of the voltage-gated sodium channels Nav1.7 or Nav1.5, with or without one beta-1, bet...

US Patent US10214509 (2019)

More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))		BDBM357001
PNG
(5-Amino-N-(5-chloropyridin-2-yl)-1-(3-fluoro-2-met...)
Show SMILES Cc1c(F)cccc1-n1nnc(C(=O)Nc2ccc(Cl)cn2)c1N
Show InChI InChI=1S/C15H12ClFN6O/c1-8-10(17)3-2-4-11(8)23-14(18)13(21-22-23)15(24)20-12-6-5-9(16)7-19-12/h2-7H,18H2,1H3,(H,19,20,24)
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n/an/a>3.30E+4n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
Cell LinesStable cell lines expressing the full-length protein of the voltage-gated sodium channels Nav1.7 or Nav1.5, with or without one beta-1, bet...

US Patent US10214509 (2019)

More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))		BDBM356997
PNG
(5-Amino-N-(2-fluoro-4-(trifluoromethyl)phenyl)-1-(...)
Show SMILES COCCOc1ccccc1-n1nc(C)c(C(=O)Nc2ccc(cc2F)C(F)(F)F)c1N
Show InChI InChI=1S/C21H20F4N4O3/c1-12-18(20(30)27-15-8-7-13(11-14(15)22)21(23,24)25)19(26)29(28-12)16-5-3-4-6-17(16)32-10-9-31-2/h3-8,11H,9-10,26H2,1-2H3,(H,27,30)
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n/an/a>3.30E+4n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
Cell LinesStable cell lines expressing the full-length protein of the voltage-gated sodium channels Nav1.7 or Nav1.5, with or without one beta-1, bet...

US Patent US10214509 (2019)

More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))		BDBM357007
PNG
(5-Amino-1-(2-fluorophenyl)-3-methyl-N-(5-(trifluor...)
Show SMILES Cc1nn(c(N)c1C(=O)Nc1ccc(cn1)C(F)(F)F)-c1ccccc1F
Show InChI InChI=1S/C17H13F4N5O/c1-9-14(15(22)26(25-9)12-5-3-2-4-11(12)18)16(27)24-13-7-6-10(8-23-13)17(19,20)21/h2-8H,22H2,1H3,(H,23,24,27)
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n/an/a>3.30E+4n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
Cell LinesStable cell lines expressing the full-length protein of the voltage-gated sodium channels Nav1.7 or Nav1.5, with or without one beta-1, bet...

US Patent US10214509 (2019)

More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))		BDBM357004
PNG
(5-Amino-N-(5-chloro-2-pyridyl)-1-(3-fluoro-2-methy...)
Show SMILES Cc1nn(c(N)c1C(=O)Nc1ccc(Cl)cn1)-c1cccc(F)c1C
Show InChI InChI=1S/C17H15ClFN5O/c1-9-12(19)4-3-5-13(9)24-16(20)15(10(2)23-24)17(25)22-14-7-6-11(18)8-21-14/h3-8H,20H2,1-2H3,(H,21,22,25)
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n/an/a>3.30E+4n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
Cell LinesStable cell lines expressing the full-length protein of the voltage-gated sodium channels Nav1.7 or Nav1.5, with or without one beta-1, bet...

US Patent US10214509 (2019)

More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))		BDBM357009
PNG
(5-Amino-N-(5-chloropyridin-2-yl)-1-(2-(2-methoxypy...)
Show SMILES COc1cc(ccn1)-c1ccccc1-n1ncc(C(=O)Nc2ccc(Cl)cn2)c1N
Show InChI InChI=1S/C21H17ClN6O2/c1-30-19-10-13(8-9-24-19)15-4-2-3-5-17(15)28-20(23)16(12-26-28)21(29)27-18-7-6-14(22)11-25-18/h2-12H,23H2,1H3,(H,25,27,29)
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n/an/a>3.30E+4n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
Cell LinesStable cell lines expressing the full-length protein of the voltage-gated sodium channels Nav1.7 or Nav1.5, with or without one beta-1, bet...

US Patent US10214509 (2019)

More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))		BDBM356998
PNG
(5-Amino-1-(3-fluoro-2-methylphenyl)-N-(5-(trifluor...)
Show SMILES Cc1c(F)cccc1-n1ncc(C(=O)Nc2ccc(OC(F)(F)F)cn2)c1N
Show InChI InChI=1S/C17H13F4N5O2/c1-9-12(18)3-2-4-13(9)26-15(22)11(8-24-26)16(27)25-14-6-5-10(7-23-14)28-17(19,20)21/h2-8H,22H2,1H3,(H,23,25,27)
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n/an/a>3.30E+4n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
Cell LinesStable cell lines expressing the full-length protein of the voltage-gated sodium channels Nav1.7 or Nav1.5, with or without one beta-1, bet...

US Patent US10214509 (2019)

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