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Compile Data Set for Download or QSAR

Found 99 hits Enz. Inhib. hit(s) with all data for entry = 50011193   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		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
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n/an/a 0.110n/an/an/an/an/an/a



Lupin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) expressed in HEK293 cells assessed as reduction in veratridine-induced depolarization preincubated for 15 to 20...

J Med Chem 63: 6107-6133 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00361
BindingDB Entry DOI: 10.7270/Q2V69P5C
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50545552
PNG
(CHEMBL4646742)
Show SMILES Cn1nccc1-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F |r|
Show InChI InChI=1S/C23H19F3N4O3S2/c1-30-20(6-8-28-30)19-12-14(23(24,25)26)2-4-16(19)17-7-10-33-21-13-15(3-5-18(17)21)35(31,32)29-22-27-9-11-34-22/h2-6,8-9,11-13,17H,7,10H2,1H3,(H,27,29)/t17-/m1/s1
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Lupin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) expressed in HEK293 cells assessed as reduction in veratridine-induced depolarization preincubated for 15 to 20...

J Med Chem 63: 6107-6133 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00361
BindingDB Entry DOI: 10.7270/Q2V69P5C
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50545560
PNG
(CHEMBL4634421)
Show SMILES Fc1ccc(cn1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F |r|
Show InChI InChI=1S/C24H17F4N3O3S2/c25-22-6-1-14(13-30-22)20-11-15(24(26,27)28)2-4-17(20)18-7-9-34-21-12-16(3-5-19(18)21)36(32,33)31-23-29-8-10-35-23/h1-6,8,10-13,18H,7,9H2,(H,29,31)/t18-/m1/s1
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Lupin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) expressed in HEK293 cells assessed as reduction in veratridine-induced depolarization preincubated for 15 to 20...

J Med Chem 63: 6107-6133 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00361
BindingDB Entry DOI: 10.7270/Q2V69P5C
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50545563
PNG
(CHEMBL4636838)
Show SMILES Fc1ccc(cc1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F |r|
Show InChI InChI=1S/C25H18F4N2O3S2/c26-17-4-1-15(2-5-17)22-13-16(25(27,28)29)3-7-19(22)20-9-11-34-23-14-18(6-8-21(20)23)36(32,33)31-24-30-10-12-35-24/h1-8,10,12-14,20H,9,11H2,(H,30,31)/t20-/m1/s1
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Lupin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) expressed in HEK293 cells assessed as reduction in veratridine-induced depolarization preincubated for 15 to 20...

J Med Chem 63: 6107-6133 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00361
BindingDB Entry DOI: 10.7270/Q2V69P5C
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50545558
PNG
(CHEMBL4642748)
Show SMILES FC(F)(F)c1ccc([C@H]2CCOc3cc(ccc23)S(=O)(=O)Nc2nccs2)c(c1)-n1ccnn1 |r|
Show InChI InChI=1S/C21H16F3N5O3S2/c22-21(23,24)13-1-3-16(18(11-13)29-8-6-26-28-29)15-5-9-32-19-12-14(2-4-17(15)19)34(30,31)27-20-25-7-10-33-20/h1-4,6-8,10-12,15H,5,9H2,(H,25,27)/t15-/m1/s1
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Lupin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) expressed in HEK293 cells assessed as reduction in veratridine-induced depolarization preincubated for 15 to 20...

J Med Chem 63: 6107-6133 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00361
BindingDB Entry DOI: 10.7270/Q2V69P5C
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(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
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n/an/a 0.600n/an/an/an/an/an/a



Lupin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) expressed in HEK293 cells assessed as reduction in veratridine-induced depolarization preincubated for 15 to 20...

J Med Chem 63: 6107-6133 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00361
BindingDB Entry DOI: 10.7270/Q2V69P5C
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50545567
PNG
(CHEMBL4649638)
Show SMILES FC(F)(F)c1ccc([C@H]2CCOc3cc(ccc23)S(=O)(=O)Nc2nccs2)c(c1)N1CCNCC1 |r|
Show InChI InChI=1S/C23H23F3N4O3S2/c24-23(25,26)15-1-3-18(20(13-15)30-9-6-27-7-10-30)17-5-11-33-21-14-16(2-4-19(17)21)35(31,32)29-22-28-8-12-34-22/h1-4,8,12-14,17,27H,5-7,9-11H2,(H,28,29)/t17-/m1/s1
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Lupin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) expressed in HEK293 cells assessed as reduction in veratridine-induced depolarization preincubated for 15 to 20...

J Med Chem 63: 6107-6133 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00361
BindingDB Entry DOI: 10.7270/Q2V69P5C
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(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
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n/an/a 1.10n/an/an/an/an/an/a



Lupin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) expressed in HEK293 cells assessed as reduction in veratridine-induced depolarization preincubated for 15 to 20...

J Med Chem 63: 6107-6133 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00361
BindingDB Entry DOI: 10.7270/Q2V69P5C
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(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 |r|
Show InChI InChI=1S/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-/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



Lupin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) expressed in HEK293 cells assessed as reduction in veratridine-induced depolarization preincubated for 15 to 20...

J Med Chem 63: 6107-6133 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00361
BindingDB Entry DOI: 10.7270/Q2V69P5C
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50545554
PNG
(CHEMBL4635247)
Show SMILES FC(F)(F)c1ccc([C@H]2CCOc3cc(ccc23)S(=O)(=O)Nc2nccs2)c(c1)-c1nccs1 |r|
Show InChI InChI=1S/C22H16F3N3O3S3/c23-22(24,25)13-1-3-15(18(11-13)20-26-6-9-32-20)16-5-8-31-19-12-14(2-4-17(16)19)34(29,30)28-21-27-7-10-33-21/h1-4,6-7,9-12,16H,5,8H2,(H,27,28)/t16-/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Lupin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) expressed in HEK293 cells assessed as reduction in veratridine-induced depolarization preincubated for 15 to 20...

J Med Chem 63: 6107-6133 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00361
BindingDB Entry DOI: 10.7270/Q2V69P5C
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(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
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n/an/a 1.60n/an/an/an/an/an/a



Lupin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) expressed in HEK293 cells assessed as reduction in veratridine-induced depolarization preincubated for 15 to 20...

J Med Chem 63: 6107-6133 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00361
BindingDB Entry DOI: 10.7270/Q2V69P5C
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(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
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n/an/a 1.80n/an/an/an/an/an/a



Lupin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) expressed in HEK293 cells assessed as reduction in veratridine-induced depolarization preincubated for 15 to 20...

J Med Chem 63: 6107-6133 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00361
BindingDB Entry DOI: 10.7270/Q2V69P5C
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(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
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n/an/a 2.10n/an/an/an/an/an/a



Lupin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) expressed in HEK293 cells assessed as reduction in veratridine-induced depolarization preincubated for 15 to 20...

J Med Chem 63: 6107-6133 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00361
BindingDB Entry DOI: 10.7270/Q2V69P5C
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50545556
PNG
(CHEMBL4639228)
Show SMILES Cc1nc(co1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F |r|
Show InChI InChI=1S/C23H18F3N3O4S2/c1-13-28-20(12-33-13)19-10-14(23(24,25)26)2-4-16(19)17-6-8-32-21-11-15(3-5-18(17)21)35(30,31)29-22-27-7-9-34-22/h2-5,7,9-12,17H,6,8H2,1H3,(H,27,29)/t17-/m1/s1
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Lupin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) expressed in HEK293 cells assessed as reduction in veratridine-induced depolarization preincubated for 15 to 20...

J Med Chem 63: 6107-6133 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00361
BindingDB Entry DOI: 10.7270/Q2V69P5C
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(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 |r|
Show InChI InChI=1S/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-/m1/s1
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n/an/a 2.30n/an/an/an/an/an/a



Lupin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) expressed in HEK293 cells assessed as reduction in veratridine-induced depolarization preincubated for 15 to 20...

J Med Chem 63: 6107-6133 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00361
BindingDB Entry DOI: 10.7270/Q2V69P5C
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(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
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n/an/a 2.70n/an/an/an/an/an/a



Lupin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) expressed in HEK293 cells assessed as reduction in veratridine-induced depolarization preincubated for 15 to 20...

J Med Chem 63: 6107-6133 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00361
BindingDB Entry DOI: 10.7270/Q2V69P5C
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(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
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n/an/a 2.80n/an/an/an/an/an/a



Lupin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) expressed in HEK293 cells assessed as reduction in veratridine-induced depolarization preincubated for 15 to 20...

J Med Chem 63: 6107-6133 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00361
BindingDB Entry DOI: 10.7270/Q2V69P5C
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(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 |r|
Show InChI InChI=1S/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-/m1/s1
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Lupin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) expressed in HEK293 cells assessed as reduction in veratridine-induced depolarization preincubated for 15 to 20...

J Med Chem 63: 6107-6133 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00361
BindingDB Entry DOI: 10.7270/Q2V69P5C
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(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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Lupin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) expressed in HEK293 cells assessed as reduction in veratridine-induced depolarization preincubated for 15 to 20...

J Med Chem 63: 6107-6133 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00361
BindingDB Entry DOI: 10.7270/Q2V69P5C
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50545561
PNG
(CHEMBL4641467)
Show SMILES Fc1ccc(nc1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F |r|
Show InChI InChI=1S/C24H17F4N3O3S2/c25-15-2-6-21(30-13-15)20-11-14(24(26,27)28)1-4-17(20)18-7-9-34-22-12-16(3-5-19(18)22)36(32,33)31-23-29-8-10-35-23/h1-6,8,10-13,18H,7,9H2,(H,29,31)/t18-/m1/s1
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Lupin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) expressed in HEK293 cells assessed as reduction in veratridine-induced depolarization preincubated for 15 to 20...

J Med Chem 63: 6107-6133 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00361
BindingDB Entry DOI: 10.7270/Q2V69P5C
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50545566
PNG
(CHEMBL4642855)
Show SMILES FC(F)(F)c1ccc([C@H]2CCOc3cc(ccc23)S(=O)(=O)Nc2nccs2)c(c1)N1CCS(=O)(=O)CC1 |r|
Show InChI InChI=1S/C23H22F3N3O5S3/c24-23(25,26)15-1-3-18(20(13-15)29-7-11-36(30,31)12-8-29)17-5-9-34-21-14-16(2-4-19(17)21)37(32,33)28-22-27-6-10-35-22/h1-4,6,10,13-14,17H,5,7-9,11-12H2,(H,27,28)/t17-/m1/s1
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Lupin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) expressed in HEK293 cells assessed as reduction in veratridine-induced depolarization preincubated for 15 to 20...

J Med Chem 63: 6107-6133 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00361
BindingDB Entry DOI: 10.7270/Q2V69P5C
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(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
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Lupin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) expressed in HEK293 cells assessed as reduction in veratridine-induced depolarization preincubated for 15 to 20...

J Med Chem 63: 6107-6133 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00361
BindingDB Entry DOI: 10.7270/Q2V69P5C
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(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 |r|
Show InChI InChI=1S/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-/m1/s1
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Lupin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) expressed in HEK293 cells assessed as reduction in veratridine-induced depolarization preincubated for 15 to 20...

J Med Chem 63: 6107-6133 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00361
BindingDB Entry DOI: 10.7270/Q2V69P5C
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50545570
PNG
(CHEMBL4633186)
Show SMILES Fc1ccc(cn1)-c1cc(ccc1[C@H]1CCc2cc(ccc12)S(=O)(=O)Nc1ncccn1)C(F)(F)F |r|
Show InChI InChI=1S/C25H18F4N4O2S/c26-23-9-3-16(14-32-23)22-13-17(25(27,28)29)4-7-21(22)20-6-2-15-12-18(5-8-19(15)20)36(34,35)33-24-30-10-1-11-31-24/h1,3-5,7-14,20H,2,6H2,(H,30,31,33)/t20-/m0/s1
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Lupin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) expressed in HEK293 cells assessed as reduction in veratridine-induced depolarization preincubated for 15 to 20...

J Med Chem 63: 6107-6133 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00361
BindingDB Entry DOI: 10.7270/Q2V69P5C
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50545568
PNG
(CHEMBL4632456)
Show SMILES CN1CCN(CC1)c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F |r|
Show InChI InChI=1S/C24H25F3N4O3S2/c1-30-8-10-31(11-9-30)21-14-16(24(25,26)27)2-4-19(21)18-6-12-34-22-15-17(3-5-20(18)22)36(32,33)29-23-28-7-13-35-23/h2-5,7,13-15,18H,6,8-12H2,1H3,(H,28,29)/t18-/m1/s1
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Lupin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) expressed in HEK293 cells assessed as reduction in veratridine-induced depolarization preincubated for 15 to 20...

J Med Chem 63: 6107-6133 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00361
BindingDB Entry DOI: 10.7270/Q2V69P5C
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(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 Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) expressed in HEK293 cells assessed as reduction in veratridine-induced depolarization preincubated for 15 to 20...

J Med Chem 63: 6107-6133 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00361
BindingDB Entry DOI: 10.7270/Q2V69P5C
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50545564
PNG
(CHEMBL4639688)
Show SMILES FC(F)(F)c1ccc([C@H]2CCOc3cc(ccc23)S(=O)(=O)Nc2nccs2)c(c1)N1CCOCC1=O |r|
Show InChI InChI=1S/C23H20F3N3O5S2/c24-23(25,26)14-1-3-17(19(11-14)29-7-9-33-13-21(29)30)16-5-8-34-20-12-15(2-4-18(16)20)36(31,32)28-22-27-6-10-35-22/h1-4,6,10-12,16H,5,7-9,13H2,(H,27,28)/t16-/m1/s1
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Lupin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) expressed in HEK293 cells assessed as reduction in veratridine-induced depolarization preincubated for 15 to 20...

J Med Chem 63: 6107-6133 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00361
BindingDB Entry DOI: 10.7270/Q2V69P5C
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(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 |r|
Show InChI InChI=1S/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-/m1/s1
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Lupin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) expressed in HEK293 cells assessed as reduction in veratridine-induced depolarization preincubated for 15 to 20...

J Med Chem 63: 6107-6133 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00361
BindingDB Entry DOI: 10.7270/Q2V69P5C
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(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 |r|
Show InChI InChI=1S/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-/m1/s1
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Lupin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) expressed in HEK293 cells assessed as reduction in veratridine-induced depolarization preincubated for 15 to 20...

J Med Chem 63: 6107-6133 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00361
BindingDB Entry DOI: 10.7270/Q2V69P5C
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50545569
PNG
(CHEMBL4637997)
Show SMILES Cn1nccc1-c1cc(ccc1[C@H]1CCc2cc(ccc12)S(=O)(=O)Nc1ncccn1)C(F)(F)F |r|
Show InChI InChI=1S/C24H20F3N5O2S/c1-32-22(9-12-30-32)21-14-16(24(25,26)27)4-7-20(21)19-6-3-15-13-17(5-8-18(15)19)35(33,34)31-23-28-10-2-11-29-23/h2,4-5,7-14,19H,3,6H2,1H3,(H,28,29,31)/t19-/m0/s1
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Lupin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) expressed in HEK293 cells assessed as reduction in veratridine-induced depolarization preincubated for 15 to 20...

J Med Chem 63: 6107-6133 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00361
BindingDB Entry DOI: 10.7270/Q2V69P5C
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(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 |r|
Show InChI InChI=1S/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-/m1/s1
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Lupin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) expressed in HEK293 cells assessed as reduction in veratridine-induced depolarization preincubated for 15 to 20...

J Med Chem 63: 6107-6133 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00361
BindingDB Entry DOI: 10.7270/Q2V69P5C
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(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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Lupin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) expressed in HEK293 cells assessed as reduction in veratridine-induced depolarization preincubated for 15 to 20...

J Med Chem 63: 6107-6133 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00361
BindingDB Entry DOI: 10.7270/Q2V69P5C
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50545559
PNG
(CHEMBL4642271)
Show SMILES Fc1ccc(cn1)-c1cc(ccc1[C@@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F |r|
Show InChI InChI=1S/C24H17F4N3O3S2/c25-22-6-1-14(13-30-22)20-11-15(24(26,27)28)2-4-17(20)18-7-9-34-21-12-16(3-5-19(18)21)36(32,33)31-23-29-8-10-35-23/h1-6,8,10-13,18H,7,9H2,(H,29,31)/t18-/m0/s1
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Lupin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) expressed in HEK293 cells assessed as reduction in veratridine-induced depolarization preincubated for 15 to 20...

J Med Chem 63: 6107-6133 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00361
BindingDB Entry DOI: 10.7270/Q2V69P5C
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM371811
PNG
(4-(2-(1,1-dioxidothiomorpholino)-4-(trifluoromethy...)
Show SMILES FC(F)(F)c1ccc([C@H]2CCOc3cc(ccc23)S(=O)(=O)Nc2ccncn2)c(c1)N1CCS(=O)(=O)CC1 |r|
Show InChI InChI=1S/C24H23F3N4O5S2/c25-24(26,27)16-1-3-19(21(13-16)31-8-11-37(32,33)12-9-31)18-6-10-36-22-14-17(2-4-20(18)22)38(34,35)30-23-5-7-28-15-29-23/h1-5,7,13-15,18H,6,8-12H2,(H,28,29,30)/t18-/m1/s1
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Lupin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) expressed in HEK293 cells assessed as reduction in veratridine-induced depolarization preincubated for 15 to 20...

J Med Chem 63: 6107-6133 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00361
BindingDB Entry DOI: 10.7270/Q2V69P5C
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(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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Lupin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells assessed as V1/2 of slow inactivation at 10 Hz frequency at -120 mV holding potential by single ...

J Med Chem 63: 6107-6133 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00361
BindingDB Entry DOI: 10.7270/Q2V69P5C
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM371590
PNG
((R)-4-(2-(1-Methyl-1H-pyrazol-5-yl)-4-(trifluorome...)
Show SMILES Cn1nccc1-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncccn1)C(F)(F)F
Show InChI InChI=1S/C24H20F3N5O3S/c1-32-21(7-11-30-32)20-13-15(24(25,26)27)3-5-17(20)18-8-12-35-22-14-16(4-6-19(18)22)36(33,34)31-23-28-9-2-10-29-23/h2-7,9-11,13-14,18H,8,12H2,1H3,(H,28,29,31)/t18-/m1/s1
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Lupin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells assessed as V1/2 of slow inactivation at 10 Hz frequency at -120 mV holding potential by single ...

J Med Chem 63: 6107-6133 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00361
BindingDB Entry DOI: 10.7270/Q2V69P5C
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM371590
PNG
((R)-4-(2-(1-Methyl-1H-pyrazol-5-yl)-4-(trifluorome...)
Show SMILES Cn1nccc1-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncccn1)C(F)(F)F
Show InChI InChI=1S/C24H20F3N5O3S/c1-32-21(7-11-30-32)20-13-15(24(25,26)27)3-5-17(20)18-8-12-35-22-14-16(4-6-19(18)22)36(33,34)31-23-28-9-2-10-29-23/h2-7,9-11,13-14,18H,8,12H2,1H3,(H,28,29,31)/t18-/m1/s1
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Lupin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) expressed in HEK293 cells assessed as reduction in veratridine-induced depolarization preincubated for 15 to 20...

J Med Chem 63: 6107-6133 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00361
BindingDB Entry DOI: 10.7270/Q2V69P5C
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM371580
PNG
((R)-N-(5-Fluoropyridin-2-yl)-4-(2-(1-methyl-1H-pyr...)
Show SMILES Cn1nccc1-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ccc(F)cn1)C(F)(F)F
Show InChI InChI=1S/C25H20F4N4O3S/c1-33-22(8-10-31-33)21-12-15(25(27,28)29)2-5-18(21)19-9-11-36-23-13-17(4-6-20(19)23)37(34,35)32-24-7-3-16(26)14-30-24/h2-8,10,12-14,19H,9,11H2,1H3,(H,30,32)/t19-/m1/s1
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Lupin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) expressed in HEK293 cells assessed as reduction in veratridine-induced depolarization preincubated for 15 to 20...

J Med Chem 63: 6107-6133 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00361
BindingDB Entry DOI: 10.7270/Q2V69P5C
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(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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Lupin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) expressed in HEK293 cells assessed as reduction in veratridine-induced depolarization preincubated for 15 to 20...

J Med Chem 63: 6107-6133 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00361
BindingDB Entry DOI: 10.7270/Q2V69P5C
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM371582
PNG
((R)-N-(5-Fluoropyrimidin-2-yl)-4-(2-(1-methyl-1H-p...)
Show SMILES Cn1nccc1-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncc(F)cn1)C(F)(F)F
Show InChI InChI=1S/C24H19F4N5O3S/c1-33-21(6-8-31-33)20-10-14(24(26,27)28)2-4-17(20)18-7-9-36-22-11-16(3-5-19(18)22)37(34,35)32-23-29-12-15(25)13-30-23/h2-6,8,10-13,18H,7,9H2,1H3,(H,29,30,32)/t18-/m1/s1
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Lupin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) expressed in HEK293 cells assessed as reduction in veratridine-induced depolarization preincubated for 15 to 20...

J Med Chem 63: 6107-6133 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00361
BindingDB Entry DOI: 10.7270/Q2V69P5C
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM371646
PNG
((R)-N-(5-Fluoropyrimidin-2-yl)-4-(2-(2-methyloxazo...)
Show SMILES Cc1nc(co1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncc(F)cn1)C(F)(F)F
Show InChI InChI=1S/C24H18F4N4O4S/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 Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) expressed in HEK293 cells assessed as reduction in veratridine-induced depolarization preincubated for 15 to 20...

J Med Chem 63: 6107-6133 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00361
BindingDB Entry DOI: 10.7270/Q2V69P5C
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM371620
PNG
((R)-4-(4'-Fluoro-5-(trifluoromethyl)-[1,1'-bipheny...)
Show SMILES Fc1ccc(cc1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncccn1)C(F)(F)F
Show InChI InChI=1S/C26H19F4N3O3S/c27-18-5-2-16(3-6-18)23-14-17(26(28,29)30)4-8-20(23)21-10-13-36-24-15-19(7-9-22(21)24)37(34,35)33-25-31-11-1-12-32-25/h1-9,11-12,14-15,21H,10,13H2,(H,31,32,33)/t21-/m1/s1
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Lupin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) expressed in HEK293 cells assessed as reduction in veratridine-induced depolarization preincubated for 15 to 20...

J Med Chem 63: 6107-6133 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00361
BindingDB Entry DOI: 10.7270/Q2V69P5C
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM371590
PNG
((R)-4-(2-(1-Methyl-1H-pyrazol-5-yl)-4-(trifluorome...)
Show SMILES Cn1nccc1-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncccn1)C(F)(F)F
Show InChI InChI=1S/C24H20F3N5O3S/c1-32-21(7-11-30-32)20-13-15(24(25,26)27)3-5-17(20)18-8-12-35-22-14-16(4-6-19(18)22)36(33,34)31-23-28-9-2-10-29-23/h2-7,9-11,13-14,18H,8,12H2,1H3,(H,28,29,31)/t18-/m1/s1
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Lupin Ltd.

Curated by ChEMBL


Assay Description
Use-dependent inhibition of human Nav1.7 expressed in HEK293 cells at 25 pulse 10 Hz frequency at -120 mV holding potential by manual patch clamp ass...

J Med Chem 63: 6107-6133 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00361
BindingDB Entry DOI: 10.7270/Q2V69P5C
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50545569
PNG
(CHEMBL4637997)
Show SMILES Cn1nccc1-c1cc(ccc1[C@H]1CCc2cc(ccc12)S(=O)(=O)Nc1ncccn1)C(F)(F)F |r|
Show InChI InChI=1S/C24H20F3N5O2S/c1-32-22(9-12-30-32)21-14-16(24(25,26)27)4-7-20(21)19-6-3-15-13-17(5-8-18(15)19)35(33,34)31-23-28-10-2-11-29-23/h2,4-5,7-14,19H,3,6H2,1H3,(H,28,29,31)/t19-/m0/s1
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Lupin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells assessed as V1/2 of slow inactivation at 10 Hz frequency at -120 mV holding potential by single ...

J Med Chem 63: 6107-6133 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00361
BindingDB Entry DOI: 10.7270/Q2V69P5C
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Mus musculus)		BDBM50545569
PNG
(CHEMBL4637997)
Show SMILES Cn1nccc1-c1cc(ccc1[C@H]1CCc2cc(ccc12)S(=O)(=O)Nc1ncccn1)C(F)(F)F |r|
Show InChI InChI=1S/C24H20F3N5O2S/c1-32-22(9-12-30-32)21-14-16(24(25,26)27)4-7-20(21)19-6-3-15-13-17(5-8-18(15)19)35(33,34)31-23-28-10-2-11-29-23/h2,4-5,7-14,19H,3,6H2,1H3,(H,28,29,31)/t19-/m0/s1
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Lupin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of mouse Nav1.7 expressed in HEK293 cells assessed as V1/2 of slow inactivation at 10 Hz frequency at -120 mV holding potential by single ...

J Med Chem 63: 6107-6133 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00361
BindingDB Entry DOI: 10.7270/Q2V69P5C
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Mus musculus)		BDBM371590
PNG
((R)-4-(2-(1-Methyl-1H-pyrazol-5-yl)-4-(trifluorome...)
Show SMILES Cn1nccc1-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncccn1)C(F)(F)F
Show InChI InChI=1S/C24H20F3N5O3S/c1-32-21(7-11-30-32)20-13-15(24(25,26)27)3-5-17(20)18-8-12-35-22-14-16(4-6-19(18)22)36(33,34)31-23-28-9-2-10-29-23/h2-7,9-11,13-14,18H,8,12H2,1H3,(H,28,29,31)/t18-/m1/s1
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Lupin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of mouse Nav1.7 expressed in HEK293 cells assessed as reduction in veratridine-induced depolarization preincubated for 15 to 20 mins follo...

J Med Chem 63: 6107-6133 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00361
BindingDB Entry DOI: 10.7270/Q2V69P5C
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Mus musculus)		BDBM50545569
PNG
(CHEMBL4637997)
Show SMILES Cn1nccc1-c1cc(ccc1[C@H]1CCc2cc(ccc12)S(=O)(=O)Nc1ncccn1)C(F)(F)F |r|
Show InChI InChI=1S/C24H20F3N5O2S/c1-32-22(9-12-30-32)21-14-16(24(25,26)27)4-7-20(21)19-6-3-15-13-17(5-8-18(15)19)35(33,34)31-23-28-10-2-11-29-23/h2,4-5,7-14,19H,3,6H2,1H3,(H,28,29,31)/t19-/m0/s1
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Lupin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of mouse Nav1.7 expressed in HEK293 cells assessed as reduction in veratridine-induced depolarization preincubated for 15 to 20 mins follo...

J Med Chem 63: 6107-6133 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00361
BindingDB Entry DOI: 10.7270/Q2V69P5C
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(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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Lupin Ltd.

Curated by ChEMBL


Assay Description
Use-dependent inhibition of human Nav1.7 expressed in HEK293 cells at 25 pulse 10 Hz frequency at -120 mV holding potential by manual patch clamp ass...

J Med Chem 63: 6107-6133 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00361
BindingDB Entry DOI: 10.7270/Q2V69P5C
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(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 Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells assessed as V1/2 of slow inactivation at 10 Hz frequency at -120 mV holding potential by single ...

J Med Chem 63: 6107-6133 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00361
BindingDB Entry DOI: 10.7270/Q2V69P5C
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50545571
PNG
(CHEMBL4646308)
Show SMILES Cc1ccc(cn1)-c1cc(ccc1[C@H]1CCc2cc(ccc12)S(=O)(=O)Nc1ncccn1)C(F)(F)F |r|
Show InChI InChI=1S/C26H21F3N4O2S/c1-16-3-4-18(15-32-16)24-14-19(26(27,28)29)6-9-23(24)22-8-5-17-13-20(7-10-21(17)22)36(34,35)33-25-30-11-2-12-31-25/h2-4,6-7,9-15,22H,5,8H2,1H3,(H,30,31,33)/t22-/m0/s1
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Lupin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) expressed in HEK293 cells assessed as reduction in veratridine-induced depolarization preincubated for 15 to 20...

J Med Chem 63: 6107-6133 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00361
BindingDB Entry DOI: 10.7270/Q2V69P5C
More data for this
Ligand-Target Pair
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